A0A5K4F425_SCHMA Loading...

Subtilisin-like protease AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F425, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,228 aa.

						>A0A5K4F425_SCHMA|A0A5K4F425
MNLSSVLITFLACSPTLGFSMLSYEYVSSVVETEFIISYYEHSCAQSRHRFLKSILNSFPLNYSIMERWYPPSNAKEKKSDFDVIKIFNLSRMDVSNFIQYLSNVSQIKSVSPQKQINRVLLNYDINDGEFLHNSSRLDSRRNLKLFGNSQRYSPGTLPLDPLKQPWKLLQAEYAWSRGLCGNGVRVGIFDTGLAPSDHKHFSLSNIIERTDWTVDITNRSYSDDSIEALDRHGHGTYVTGLIAAQNSNLYYSKFIHSFNKHDDSTCPPWGFAPRADLFIFRVFTDTQIFYTSWFLDAFNYAISRKLHVINLSIGGPDFLDKPFVDKVLELSANGILLVSAIGNDGPLFGTLNNPADQMDVLGVGGVDALGRVARFSSRGMPGWELPAGYRRVKPDIVIFSTGVISSNLDGKCRVLSGTSVASPIVTGVVSLLINAALNHNANLINHENGSLYHMNIDNYPFVLVNPISIKQALIASANQLNSVRVFGTNSIKWLQETDQSSMFEQGAGLVNLQSALEIVQRMKPQASLMPSYLDLTQCPYMWPYCSQPLYSSMQPIIINITILNSMDVVGRITKPPIYHPYINYNGHRLHVGTSYSQYLWPWVGYLAVYLSVTPDSIDDIIPSSRFSGVAEGYVSLVVESYDTVRNLSLNTNLRLPIKANIVPIPHRSKRILFDQFHSIHYPSGFIPRDDLTRTKEPLDWLGDHIHTNFLDLYTHLRRKSYFIEVLTSTFDCFNASNYGTFLIIDPEEEFFPYEIEKLFVDVTEKGLSLIVFADWYNTSVMQSLRFYDTNTRRLWTPDTGGSNLPALNELLLPFNIEFGDSVFSGNYVIGHRTVAYHSGSSLRKFLNRAIANHTGRTVLLKANLVDISNQFIQHDFMFLKSESVTSLESDKILGNSEPNLRLKPIIDKDPTPTILGLWTPIVENVISEMGRLSIYGDSDCLSSTHLNSNCFWLLDALLQFSTSSMGRIPRILIEQMFTPNTEVWIDSSLTAPLRAKNSQLNLYSNVIRKEWSLSTLNTSYLPIEAYYSVKSCYIAPKASILIDNGKPNESFYHPQNLLLYPVELYNPSKQLYTTHYCHSSISILPSNKNLFQIIRPKLLLQSINDFIQLDLYITFKSHKFNFICIIILLIVVCYFCKRGIMFCGDSVLYVTGWIFCVIRYVLVRILFRLYNLWRTYISDCSQMRFCKVNSKNTSTTTSNSNTTVEISRLSPSIVQKISQQNRSNIHI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.1	Very low	32.3	Very low	253 Å²	253	158.8 Å²	158.8	100%	1.246	86%	0.863	S	S	*	*				0	140.9	0	-92	177.3	149.1	0	0	108.6
2	N	38.7	Very low	31.8	Very low	163 Å²	163	153.8 Å²	153.8	87%	0.872	86%	0.859	S	S	*	*			trans	-72.9	144.1	-173	-81.1	-21.1	0	0	0	114.7
3	L	31.5	Very low	31.3	Very low	174 Å²	174	152.2 Å²	152.2	91%	0.911	86%	0.862	S	S	*	*			trans	166.1	137.6	139.5	-105.7	109	0	0	0	103.9
4	S	33.6	Very low	30.8	Very low	103 Å²	103	149.5 Å²	149.5	72%	0.72	86%	0.857	S	S	*	*			cis	-168.7	143.3	24.4	46.7	0	0	0	0	108.6
5	S	34.2	Very low	30.7	Very low	123 Å²	123	146.7 Å²	146.7	86%	0.86	85%	0.847	S	S	*	*			trans	-93.6	117.3	172.8	48.2	0	0	0	0	111.3
6	V	33.7	Very low	30.3	Very low	113 Å²	113	146.4 Å²	146.4	69%	0.685	85%	0.849	S	S	*	*			trans	-126.2	116.7	161.5	171.2	0	0	0	0	105.5	I8	V6-I8 HydrophobicContact CG1-CD1 4.32Å; V6-I8 HydrophobicContact CG1-CG1 4.32Å
7	L	33	Very low	30.1	Very low	183 Å²	183	145.3 Å²	145.3	96%	0.958	84%	0.838	S	S	*	*			trans	-141.3	135	162.6	-134.8	95.5	0	0	0	109.7
8	I	32.3	Very low	29.9	Very low	133 Å²	133	141.4 Å²	141.4	68%	0.682	84%	0.835	S	S	*	*			trans	-111.8	141	-160.7	-80.4	173.1	0	0	0	109.5	V6	V6-I8 HydrophobicContact CG1-CD1 4.32Å; V6-I8 HydrophobicContact CG1-CG1 4.32Å
9	T	31.9	Very low	29.8	Very low	113 Å²	113	143 Å²	143	69%	0.693	83%	0.83	S	S	*	*			trans	7	138.3	155.3	60.6	0	0	0	0	121.5
10	F	29.6	Very low	29.6	Very low	205 Å²	205	139.1 Å²	139.1	90%	0.899	81%	0.811	S	S	*	*			trans	-163.7	122.8	130.6	-101.5	-76.9	0	0	0	109.7
11	L	28.8	Very low	29.7	Very low	184 Å²	184	137.2 Å²	137.2	96%	0.963	80%	0.796	S	S	*	*			trans	-179.2	123.7	141.8	-98.3	158.1	0	0	0	110
12	A	26.4	Very low	30	Very low	99 Å²	99	129.2 Å²	129.2	82%	0.818	76%	0.758	S	S	*	*			trans	-86.9	132.2	-175.3	0	0	0	0	0	111.8
13	C	25.1	Very low	29.9	Very low	132 Å²	132	123.8 Å²	123.8	89%	0.892	73%	0.733	S	S	*	*			trans	-130.5	117.1	156.9	-94.2	0	0	0	0	108
14	S	23.7	Very low	30.6	Very low	115 Å²	115	117.5 Å²	117.5	80%	0.804	70%	0.698	S	S	*	*			trans	-72.9	126.5	174.2	44.7	0	0	0	0	111.8
15	P	29.2	Very low	31.2	Very low	108 Å²	108	117.9 Å²	117.9	70%	0.701	69%	0.688	S	S	*	*			trans	-100.4	113	162.7	32.9	-21.6	0	0	0	110	L17	P15-L17 PolarHBondContact O-N 3.32Å
16	T	24.5	Very low	31.9	Very low	142 Å²	142	114.5 Å²	114.5	87%	0.871	66%	0.656	S	S	*	*			trans	-75.1	101.3	163.1	46.4	0	0	0	0	108.7
17	L	28.1	Very low	32.7	Very low	127 Å²	127	111.1 Å²	111.1	67%	0.665	64%	0.636	S	S	*	*			trans	-108.6	108	167.9	-97.9	137.1	0	0	0	107.7	P15	P15-L17 PolarHBondContact O-N 3.32Å
18	G	25.3	Very low	33.9	Very low	76 Å²	76	104.1 Å²	104.1	78%	0.784	60%	0.603	S	S	*	*			trans	-63.9	135.4	173.3	0	0	0	0	0	111.1
19	F	28.3	Very low	35.1	Very low	171 Å²	171	97.9 Å²	97.9	75%	0.75	57%	0.57	S	S	*	*			trans	-69	126.7	177	-67.6	-95	0	0	0	110.6	M21	F19-M21 VanDerWaalsContact C-N 3.27Å; F19-M21 PolarHBondContact O-N 3.34Å; F19-M21 VanDerWaalsContact O-N 3.12Å
20	S	26.3	Very low	36.7	Very low	65 Å²	65	93 Å²	93	46%	0.455	54%	0.541	S	S	.	.			trans	-82.7	75	164.7	60.7	0	0	0	0	109.3
21	M	30.8	Very low	38.5	Very low	100 Å²	100	84 Å²	84	49%	0.493	50%	0.502	S	S	.	.			trans	-74.6	138.4	157	-78.4	-79.8	170	0	0	107	F19 S23	F19-M21 VanDerWaalsContact C-N 3.27Å; F19-M21 PolarHBondContact O-N 3.34Å; F19-M21 VanDerWaalsContact O-N 3.12Å; M21-S23 PolarHBondContact O-N 2.96Å
22	L	35.1	Very low	40	Very low	84 Å²	84	79.3 Å²	79.3	44%	0.44	48%	0.475	S	S	.	.			trans	-72	74.9	163.7	-141.3	121.9	0	0	0	105.9	Y24 L122	L22-Y24 PolarHBondContact O-N 3.45Å; L22-L122 WeakPolarHBondContact CG-O 3.5Å
23	S	35.5	Very low	42.4	Very low	50 Å²	50	75.6 Å²	75.6	35%	0.35	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-73.3	117	178.8	55	0	0	0	0	107.4	M21 L122	M21-S23 PolarHBondContact O-N 2.96Å; S23-L122 WeakPolarHBondContact O-CB 3.41Å; S23-L122 WeakPolarHBondContact O-CD1 3.3Å; S23-L122 WeakPolarHBondContact O-CG 3.42Å; S23-L122 WeakPolarHBondContact OG-CD1 3.09Å
24	Y	46.4	Very low	45.3	Very low	42 Å²	42	70.1 Å²	70.1	17%	0.165	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.5	166.9	46.6	-82.2	0	0	0	106.5	L22 V120 N344 D345	L22-Y24 PolarHBondContact O-N 3.45Å; Y24-V120 VanDerWaalsContact CA-O 3.31Å; Y24-V120 WeakPolarHBondContact CA-O 3.44Å; Y24-N344 HydrophobicContact CD1-CB 3.97Å; Y24-N344 HydrophobicContact CE1-CB 4.01Å; Y24-N344 VanDerWaalsContact CE1-O 3.23Å; Y24-N344 WeakPolarHBondContact CE1-O 3.08Å; Y24-D345 VanDerWaalsContact CE2-CG 3.44Å; Y24-D345 WeakPolarHBondContact CE2-OD1 3.32Å; Y24-D345 WeakPolarHBondContact OH-CA 3.06Å; Y24-D345 WeakPolarHBondContact OH-CB 3.49Å; Y24-D345 PolarHBondContact OH-OD1 3.49Å
25	E	46.8	Very low	48.5	Very low	110 Å²	110	64.8 Å²	64.8	51%	0.514	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.7	169.1	-161.8	178.4	165.9	0	0	107.4	V27 V120	E25-V27 HydrophobicContact CG-CG2 4.04Å; E25-V120 HydrophobicContact CB-CB 4.05Å; E25-V120 HydrophobicContact CB-CG2 4.33Å; E25-V120 PolarHBondContact N-O 3.28Å; E25-V120 VanDerWaalsContact N-O 3.1Å; E25-V120 PolarHBondContact O-N 2.88Å
26	Y	48.2	Very low	51.4	Low	52 Å²	52	59.7 Å²	59.7	20%	0.204	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.5	174.5	-173.7	-85.1	0	0	0	108.5	I117 P317	Y26-I117 HydrophobicContact CD2-CG2 4.24Å; Y26-I117 HydrophobicContact CE1-CG2 4.21Å; Y26-I117 HydrophobicContact CE2-CG2 3.46Å; Y26-I117 VanDerWaalsContact CE2-CG2 3.46Å; Y26-I117 VanDerWaalsContact CZ-CG2 3.46Å; Y26-I117 VanDerWaalsContact OH-CD1 3.3Å; Y26-I117 WeakPolarHBondContact OH-CD1 3.41Å; Y26-P317 VanDerWaalsContact CD1-CD 3.49Å; Y26-P317 HydrophobicContact CD1-CG 3.62Å; Y26-P317 HydrophobicContact CE1-CG 3.31Å
27	V	51.1	Low	54.7	Low	42 Å²	42	52.9 Å²	52.9	26%	0.255	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	110.9	174.9	-152.3	0	0	0	0	107.5	E25 N118 N791	E25-V27 HydrophobicContact CG-CG2 4.04Å; V27-N118 PolarHBondContact N-O 3.17Å; V27-N118 PolarHBondContact O-N 3.28Å; V27-N791 WeakPolarHBondContact CB-ND2 3.42Å; V27-N791 WeakPolarHBondContact CG1-ND2 3.49Å; V27-N791 PolarHBondContact O-ND2 3.33Å
28	S	59	Low	57.8	Low	37 Å²	37	47.4 Å²	47.4	26%	0.259	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.1	173.2	56.8	0	0	0	0	112.9	N791	S28-N791 WeakPolarHBondContact CA-ND2 3.13Å; S28-N791 PolarHBondContact N-ND2 2.94Å; S28-N791 WeakPolarHBondContact O-CB 3.49Å; S28-N791 PolarHBondContact O-ND2 3.39Å
29	S	56.8	Low	61.1	Low	1 Å²	1	44.4 Å²	44.4	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	163	175.8	-26.5	0	0	0	0	115.9	K115 Q116 N791	S29-K115 CarbonylContact O-C 3.38Å; S29-K115 WeakPolarHBondContact O-CA 3.43Å; S29-K115 WeakPolarHBondContact O-CB 3.4Å; S29-K115 WeakPolarHBondContact O-CG 3.48Å; S29-Q116 CarbonylContact C-O 3.58Å; S29-Q116 WeakPolarHBondContact CA-O 3.41Å; S29-Q116 VanDerWaalsContact CB-CB 3.48Å; S29-Q116 WeakPolarHBondContact CB-O 3.24Å; S29-Q116 PolarHBondContact N-O 2.82Å; S29-Q116 PolarHBondContact O-N 2.77Å; S29-Q116 VanDerWaalsContact O-N 3.1Å; S29-Q116 VanDerWaalsContact O-O 3.13Å; S29-Q116 VanDerWaalsContact OG-C 3.23Å; S29-Q116 WeakPolarHBondContact OG-CB 3.35Å; S29-Q116 WeakPolarHBondContact OG-CG 3.14Å; S29-Q116 PolarHBondContact OG-O 3.08Å; S29-N791 CarbonylContact C-O 3.35Å; S29-N791 VanDerWaalsContact CA-CG 3.41Å; S29-N791 WeakPolarHBondContact CA-O 3.45Å; S29-N791 WeakPolarHBondContact CB-O 3.26Å; S29-N791 WeakPolarHBondContact CB-OD1 3.25Å; S29-N791 VanDerWaalsContact N-CG 3.34Å; S29-N791 PolarHBondContact N-ND2 3.37Å; S29-N791 VanDerWaalsContact N-ND2 3.11Å; S29-N791 WeakPolarHBondContact OG-CA 3.1Å; S29-N791 WeakPolarHBondContact OG-CB 3.4Å; S29-N791 PolarHBondContact OG-ND2 2.57Å; S29-N791 PolarHBondContact OG-OD1 3Å
30	V	64.9	Low	64	Low	12 Å²	12	43.7 Å²	43.7	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	109.8	158.9	176.5	0	0	0	0	108.3	E32 P113 Q114 K115 N791 T792	V30-E32 PolarHBondContact O-N 2.92Å; V30-P113 HydrophobicContact CB-CG 4.49Å; V30-P113 HydrophobicContact CG1-CB 3.24Å; V30-P113 HydrophobicContact CG1-CG 3.48Å; V30-P113 VanDerWaalsContact CG1-CG 3.48Å; V30-P113 HydrophobicContact CG2-CG 4.17Å; V30-Q114 CarbonylContact C-O 3.46Å; V30-Q114 WeakPolarHBondContact CA-O 3.03Å; V30-K115 HydrophobicContact CG2-CG 3.88Å; V30-N791 CarbonylContact C-O 3.55Å; V30-N791 WeakPolarHBondContact CA-O 3.19Å; V30-N791 PolarHBondContact N-O 2.58Å; V30-T792 HydrophobicContact CB-CG2 3.74Å; V30-T792 HydrophobicContact CG2-CG2 3.3Å; V30-T792 VanDerWaalsContact N-N 3.13Å; V30-T792 CarbonylContact O-C 3.53Å; V30-T792 VanDerWaalsContact O-CA 3.28Å; V30-T792 WeakPolarHBondContact O-CA 2.92Å; V30-T792 VanDerWaalsContact O-O 3.12Å
31	V	67.1	Low	66.9	Low	14 Å²	14	47.6 Å²	47.6	9%	0.085	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	105	176.3	-171.7	0	0	0	0	109.9	T33 E34 Q114 Q116 Y291	V31-T33 PolarHBondContact O-N 3.33Å; V31-E34 HydrophobicContact CB-CB 4.04Å; V31-E34 HydrophobicContact CB-CG 4.49Å; V31-E34 HydrophobicContact CG1-CB 3.91Å; V31-E34 HydrophobicContact CG1-CG 3.82Å; V31-E34 PolarHBondContact O-N 3.09Å; V31-Q114 HydrophobicContact CB-CB 4.34Å; V31-Q114 HydrophobicContact CB-CG 4.18Å; V31-Q114 HydrophobicContact CG2-CB 4.49Å; V31-Q114 HydrophobicContact CG2-CG 3.85Å; V31-Q114 PolarHBondContact N-O 2.92Å; V31-Q116 HydrophobicContact CG2-CB 4Å; V31-Y291 HydrophobicContact CG2-CD1 3.83Å; V31-Y291 HydrophobicContact CG2-CE1 3.5Å; V31-Y291 VanDerWaalsContact CG2-CE1 3.5Å
32	E	62.3	Low	69.5	Low	86 Å²	86	47 Å²	47	40%	0.402	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.1	-43.7	-172.5	-99.2	153.6	-168.2	0	0	113.1	V30 E34 F35 Y788 R793	V30-E32 PolarHBondContact O-N 2.92Å; E32-E34 VanDerWaalsContact C-N 3.26Å; E32-E34 PolarHBondContact O-N 3.1Å; E32-F35 WeakPolarHBondContact O-CZ 3.45Å; E32-Y788 PolarHBondContact OE1-OH 2.97Å; E32-R793 HydrophobicContact CB-CB 3.93Å; E32-R793 VanDerWaalsContact CB-CD 3.47Å; E32-R793 HydrophobicContact CB-CG 4.31Å; E32-R793 HydrophobicContact CG-CB 3.21Å; E32-R793 VanDerWaalsContact CG-CD 3.46Å; E32-R793 HydrophobicContact CG-CG 4.02Å; E32-R793 VanDerWaalsContact OE1-CB 3.25Å; E32-R793 WeakPolarHBondContact OE1-CB 2.91Å; E32-R793 WeakPolarHBondContact OE2-CD 3.36Å; E32-R793 IonicContact OE2-CZ 3.45Å; E32-R793 IonicContact OE2-NE 3.65Å; E32-R793 IonicContact OE2-NH1 2.65Å; E32-R793 PolarHBondContact OE2-NH1 3.16Å
33	T	76.2	Confident	72.1	Confident	22 Å²	22	44.7 Å²	44.7	14%	0.135	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-15.9	-170.6	55.8	0	0	0	0	111.4	V31 K86 I87	V31-T33 PolarHBondContact O-N 3.33Å; T33-K86 CarbonylContact O-C 3.59Å; T33-K86 WeakPolarHBondContact O-CA 3.37Å; T33-I87 WeakPolarHBondContact CB-O 3.2Å; T33-I87 VanDerWaalsContact CG2-O 3.26Å; T33-I87 WeakPolarHBondContact CG2-O 3.44Å; T33-I87 PolarHBondContact O-N 3.39Å
34	E	86.5	Confident	74.6	Confident	16 Å²	16	44.7 Å²	44.7	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.2	-166.3	-66.1	172.5	-163.8	0	0	112.3	V31 E32 M66 V84 I85 K86 Q114	V31-E34 HydrophobicContact CB-CB 4.04Å; V31-E34 HydrophobicContact CB-CG 4.49Å; V31-E34 HydrophobicContact CG1-CB 3.91Å; V31-E34 HydrophobicContact CG1-CG 3.82Å; V31-E34 PolarHBondContact O-N 3.09Å; E32-E34 VanDerWaalsContact C-N 3.26Å; E32-E34 PolarHBondContact O-N 3.1Å; E34-M66 VanDerWaalsContact CD-SD 3.6Å; E34-M66 HydrophobicContact CG-SD 3.98Å; E34-V84 HydrophobicContact CB-CG1 4Å; E34-V84 HydrophobicContact CG-CG1 4.5Å; E34-I85 CarbonylContact C-O 3.53Å; E34-I85 VanDerWaalsContact CA-O 3.24Å; E34-I85 WeakPolarHBondContact CA-O 3.5Å; E34-K86 HydrophobicContact CG-CB 4.05Å; E34-K86 HydrophobicContact CG-CD 4.32Å; E34-K86 HydrophobicContact CG-CG 4.03Å; E34-K86 IonicContact OE1-NZ 2.73Å; E34-K86 PolarHBondContact OE1-NZ 3.36Å; E34-Q114 HydrophobicContact CB-CB 3.69Å; E34-Q114 HydrophobicContact CB-CG 4.08Å; E34-Q114 VanDerWaalsContact O-CB 3.3Å; E34-Q114 WeakPolarHBondContact O-CB 3.36Å; E34-Q114 PolarHBondContact O-N 3.05Å
35	F	89.3	Confident	76.5	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.7	179.1	-55.7	-91.4	0	0	0	110.8	E32 V84 I85 I87 L90 V95 F98 I99 V111 S112 P113	E32-F35 WeakPolarHBondContact O-CZ 3.45Å; F35-V84 CarbonylContact O-C 3.58Å; F35-V84 VanDerWaalsContact O-CA 3.32Å; F35-V84 WeakPolarHBondContact O-CA 3.03Å; F35-I85 HydrophobicContact CB-CD1 4.37Å; F35-I85 HydrophobicContact CB-CG1 3.83Å; F35-I85 HydrophobicContact CD2-CG1 4.41Å; F35-I85 PolarHBondContact N-O 3.3Å; F35-I85 PolarHBondContact O-N 3Å; F35-I87 HydrophobicContact CD2-CD1 3.93Å; F35-I87 HydrophobicContact CD2-CG1 4.39Å; F35-I87 HydrophobicContact CE2-CD1 3.94Å; F35-I87 HydrophobicContact CE2-CG1 4.42Å; F35-L90 HydrophobicContact CE2-CD1 4.03Å; F35-L90 HydrophobicContact CZ-CD1 4.32Å; F35-V95 HydrophobicContact CE1-CG1 3.59Å; F35-V95 HydrophobicContact CZ-CG1 3.7Å; F35-V95 HydrophobicContact CZ-CG2 4.13Å; F35-F98 HydrophobicContact CD2-CE1 4.48Å; F35-I99 HydrophobicContact CD1-CD1 4.28Å; F35-I99 HydrophobicContact CD1-CG1 4.27Å; F35-I99 HydrophobicContact CE1-CD1 4.03Å; F35-I99 HydrophobicContact CE1-CG1 4.24Å; F35-V111 HydrophobicContact CB-CG1 4.29Å; F35-S112 CarbonylContact C-O 3.58Å; F35-P113 HydrophobicContact CD1-CB 4.02Å; F35-P113 HydrophobicContact CE1-CB 4.15Å
36	I	91.8	Very high	78.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.5	170	-53.8	177.2	0	0	0	108.2	F82 V84 V111 S112 Q114 T292 L296 P323	I36-F82 HydrophobicContact CG2-CB 4.29Å; I36-F82 HydrophobicContact CG2-CD2 3.81Å; I36-F82 HydrophobicContact CG2-CG 4.31Å; I36-V84 HydrophobicContact CG1-CG2 4.4Å; I36-V111 WeakPolarHBondContact O-CA 3.22Å; I36-S112 WeakPolarHBondContact CA-O 3.22Å; I36-S112 PolarHBondContact N-O 3.16Å; I36-S112 PolarHBondContact O-N 2.95Å; I36-Q114 VanDerWaalsContact CD1-OE1 3.23Å; I36-Q114 HydrophobicContact CG1-CB 4.22Å; I36-T292 HydrophobicContact CD1-CG2 3.53Å; I36-L296 HydrophobicContact CD1-CD1 4.08Å; I36-L296 HydrophobicContact CG2-CD1 3.97Å; I36-P323 HydrophobicContact CD1-CB 4.47Å
37	I	93.4	Very high	80.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	109.9	171.4	-58.5	177.8	0	0	0	107.6	Y39 L52 F82 D83 I85 L102 I108 V111	I37-Y39 HydrophobicContact CG2-CD1 4.46Å; I37-Y39 HydrophobicContact CG2-CE1 3.78Å; I37-L52 HydrophobicContact CD1-CD1 4.42Å; I37-L52 HydrophobicContact CD1-CD2 3.51Å; I37-L52 HydrophobicContact CG2-CD2 4.3Å; I37-F82 CarbonylContact O-C 3.54Å; I37-F82 WeakPolarHBondContact O-CA 3.47Å; I37-F82 VanDerWaalsContact O-CB 3.26Å; I37-F82 WeakPolarHBondContact O-CB 3.21Å; I37-D83 PolarHBondContact N-O 3.17Å; I37-D83 PolarHBondContact O-N 3.39Å; I37-I85 HydrophobicContact CD1-CD1 3.63Å; I37-I85 HydrophobicContact CD1-CG1 3.91Å; I37-I85 HydrophobicContact CD1-CG2 4Å; I37-I85 HydrophobicContact CG1-CD1 4.39Å; I37-I85 HydrophobicContact CG1-CG1 4.32Å; I37-L102 HydrophobicContact CD1-CD1 3.95Å; I37-I108 HydrophobicContact CG2-CD1 3.87Å; I37-I108 HydrophobicContact CG2-CG1 3.99Å; I37-I108 HydrophobicContact CG2-CG2 3.92Å; I37-V111 HydrophobicContact CG1-CG1 4.41Å; I37-V111 HydrophobicContact CG1-CG2 4.25Å; I37-V111 HydrophobicContact CG2-CG2 4.45Å
38	S	93.1	Very high	82.4	Confident	11 Å²	11	41.9 Å²	41.9	8%	0.077	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	145.1	175.8	-52.3	0	0	0	0	111	D81 K109 S110	S38-D81 CarbonylContact C-O 3.58Å; S38-D81 WeakPolarHBondContact CA-O 3.42Å; S38-K109 PolarHBondContact O-N 3.13Å; S38-S110 PolarHBondContact N-O 3.39Å; S38-S110 PolarHBondContact O-N 2.99Å
39	Y	93.8	Very high	83.9	Confident	14 Å²	14	41.2 Å²	41.2	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	162.2	179.3	-48.9	-77.8	0	0	0	110.5	I37 E41 R48 F51 L52 D81 D83 I108	I37-Y39 HydrophobicContact CG2-CD1 4.46Å; I37-Y39 HydrophobicContact CG2-CE1 3.78Å; Y39-E41 VanDerWaalsContact C-N 3.34Å; Y39-R48 HydrophobicContact CE2-CB 4.35Å; Y39-R48 HydrophobicContact CE2-CG 4.23Å; Y39-F51 HydrophobicContact CD1-CE1 4.47Å; Y39-F51 HydrophobicContact CE1-CD1 4.06Å; Y39-F51 AromaticContact CE1-CE1 3.9Å; Y39-F51 HydrophobicContact CE1-CE1 3.9Å; Y39-L52 WeakPolarHBondContact OH-CD1 3.06Å; Y39-L52 WeakPolarHBondContact OH-CD2 2.76Å; Y39-L52 WeakPolarHBondContact OH-CG 3.5Å; Y39-D81 VanDerWaalsContact CD2-O 3.28Å; Y39-D81 WeakPolarHBondContact CD2-O 3.48Å; Y39-D81 PolarHBondContact N-O 3.29Å; Y39-D83 HydrophobicContact CE2-CB 4.49Å; Y39-D83 VanDerWaalsContact CE2-OD2 3.29Å; Y39-D83 WeakPolarHBondContact CE2-OD2 3.46Å; Y39-D83 PolarHBondContact OH-OD2 3.35Å; Y39-I108 HydrophobicContact CD1-CG1 4.3Å; Y39-I108 HydrophobicContact CE1-CG1 4.21Å
40	Y	89	Confident	85.6	Confident	156 Å²	156	48 Å²	48	61%	0.612	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	-24.6	175.1	-68.4	-78.3	0	0	0	113.5	K109	Y40-K109 HydrophobicContact CD1-CB 4.1Å; Y40-K109 HydrophobicContact CD1-CD 4.38Å; Y40-K109 HydrophobicContact CD1-CG 4.1Å; Y40-K109 HydrophobicContact CD2-CB 4.12Å; Y40-K109 HydrophobicContact CE1-CB 4.01Å; Y40-K109 HydrophobicContact CE1-CD 4.42Å; Y40-K109 HydrophobicContact CE1-CG 3.78Å; Y40-K109 HydrophobicContact CE2-CB 4.02Å; Y40-K109 HydrophobicContact CG-CB 4.16Å
41	E	87.4	Confident	86.9	Confident	146 Å²	146	49.7 Å²	49.7	68%	0.682	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.9	-172.9	-64.9	-175.5	176.9	0	0	112.5	Y39 S43	Y39-E41 VanDerWaalsContact C-N 3.34Å; E41-S43 PolarHBondContact O-N 3.47Å
42	H	86.5	Confident	88.1	Confident	89 Å²	89	49 Å²	49	41%	0.412	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	109.6	168.3	-75.3	74.3	0	0	0	110.2	D81 E330	H42-D81 IonicContact NE2-OD1 2.59Å; H42-E330 IonicContact CE1-OE1 3.67Å; H42-E330 PolarHBondContact CE1-OE1 3.15Å
43	S	88	Confident	89.5	Confident	35 Å²	35	50 Å²	50	25%	0.245	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	168.9	179.1	56.8	0	0	0	0	111.1	E41 R48 K79 S80	E41-S43 PolarHBondContact O-N 3.47Å; S43-R48 PolarHBondContact O-NH1 3.01Å; S43-R48 WeakPolarHBondContact OG-CD 3.33Å; S43-R48 WeakPolarHBondContact OG-CG 3.26Å; S43-K79 VanDerWaalsContact O-CA 3.29Å; S43-K79 WeakPolarHBondContact O-CA 3.49Å; S43-S80 PolarHBondContact N-O 2.73Å; S43-S80 PolarHBondContact O-N 2.91Å
44	C	88.8	Confident	90.2	Very high	49 Å²	49	52.9 Å²	52.9	33%	0.331	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148.1	-178.6	66.4	0	0	0	0	112.4	Q46 S47 R48 E77	C44-Q46 VanDerWaalsContact C-N 3.27Å; C44-Q46 PolarHBondContact O-N 2.99Å; C44-S47 WeakPolarHBondContact O-CB 3.28Å; C44-S47 PolarHBondContact O-N 2.68Å; C44-S47 VanDerWaalsContact SG-CB 3.55Å; C44-R48 VanDerWaalsContact C-NH1 3.35Å; C44-R48 PolarHBondContact O-N 3.19Å; C44-R48 VanDerWaalsContact O-N 3.11Å; C44-E77 WeakPolarHBondContact CA-O 3.49Å; C44-E77 WeakPolarHBondContact CB-O 3.37Å
45	A	87	Confident	90.4	Very high	5 Å²	5	53 Å²	53	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-53.8	-41.3	-176.9	0	0	0	0	0	113.1	S47 R48 H49 Y70 K78	A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 3.2Å; A45-R48 PolarHBondContact O-N 3.5Å; A45-H49 VanDerWaalsContact O-CB 3.28Å; A45-H49 WeakPolarHBondContact O-CB 3.44Å; A45-H49 PolarHBondContact O-CD2 2.84Å; A45-H49 PolarHBondContact O-N 3.33Å; A45-Y70 HydrophobicContact CB-CE2 4.25Å; A45-K78 HydrophobicContact CB-CB 3.62Å; A45-K78 HydrophobicContact CB-CD 4.21Å; A45-K78 PolarHBondContact N-O 3.27Å
46	Q	87.4	Confident	90.3	Very high	128 Å²	128	52.9 Å²	52.9	60%	0.598	26%	0.258	S	S	*	.	H	α-helix	trans	-62.5	-36.9	179.4	-160.5	-173.2	6.1	0	0	112.6	C44 R50	C44-Q46 VanDerWaalsContact C-N 3.27Å; C44-Q46 PolarHBondContact O-N 2.99Å; Q46-R50 WeakPolarHBondContact O-CB 3.44Å; Q46-R50 VanDerWaalsContact O-CG 3.29Å; Q46-R50 WeakPolarHBondContact O-CG 3.27Å; Q46-R50 PolarHBondContact O-N 3.36Å; Q46-R50 VanDerWaalsContact O-N 3.09Å
47	S	89.5	Confident	90	Very high	51 Å²	51	58.3 Å²	58.3	36%	0.357	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-47.7	177	-168.4	0	0	0	0	111.1	C44 A45 R50 F51	C44-S47 WeakPolarHBondContact O-CB 3.28Å; C44-S47 PolarHBondContact O-N 2.68Å; C44-S47 VanDerWaalsContact SG-CB 3.55Å; A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 3.2Å; S47-R50 PolarHBondContact O-N 3.31Å; S47-F51 WeakPolarHBondContact O-CB 3.33Å; S47-F51 PolarHBondContact O-N 3.29Å
48	R	92.3	Very high	89.6	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-44.2	178.3	-57.3	-170.7	-42.7	-87	-5.3	112	Y39 S43 C44 A45 R50 F51 L52 Y70 K78 S80 D83	Y39-R48 HydrophobicContact CE2-CB 4.35Å; Y39-R48 HydrophobicContact CE2-CG 4.23Å; S43-R48 PolarHBondContact O-NH1 3.01Å; S43-R48 WeakPolarHBondContact OG-CD 3.33Å; S43-R48 WeakPolarHBondContact OG-CG 3.26Å; C44-R48 VanDerWaalsContact C-NH1 3.35Å; C44-R48 PolarHBondContact O-N 3.19Å; C44-R48 VanDerWaalsContact O-N 3.11Å; A45-R48 PolarHBondContact O-N 3.5Å; R48-R50 PolarHBondContact O-N 2.76Å; R48-F51 WeakPolarHBondContact O-CB 3.16Å; R48-F51 PolarHBondContact O-N 2.73Å; R48-L52 WeakPolarHBondContact O-CB 2.94Å; R48-L52 WeakPolarHBondContact O-CG 3.16Å; R48-L52 PolarHBondContact O-N 3.36Å; R48-Y70 PolarHBondContact NH2-OH 2.96Å; R48-K78 PolarHBondContact NH1-O 3.04Å; R48-K78 VanDerWaalsContact NH1-O 3.09Å; R48-S80 WeakPolarHBondContact CD-O 3.05Å; R48-S80 VanDerWaalsContact NH1-N 3.14Å; R48-S80 PolarHBondContact NH1-O 2.86Å; R48-D83 WeakPolarHBondContact CB-OD2 3.35Å; R48-D83 IonicContact CZ-OD1 3.33Å; R48-D83 IonicContact CZ-OD2 3.86Å; R48-D83 IonicContact NE-OD1 3.06Å; R48-D83 PolarHBondContact NE-OD1 2.9Å; R48-D83 IonicContact NE-OD2 4Å; R48-D83 PolarHBondContact NE-OD2 3.45Å; R48-D83 IonicContact NH2-OD1 2.87Å; R48-D83 PolarHBondContact NH2-OD1 2.99Å; R48-D83 IonicContact NH2-OD2 2.86Å
49	H	91.9	Very high	88.9	Confident	23 Å²	23	64 Å²	64	11%	0.106	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-40.1	178	-68.8	-163.4	0	0	0	111.7	A45 K53 I65 E67 D83	A45-H49 VanDerWaalsContact O-CB 3.28Å; A45-H49 WeakPolarHBondContact O-CB 3.44Å; A45-H49 PolarHBondContact O-CD2 2.84Å; A45-H49 PolarHBondContact O-N 3.33Å; H49-K53 VanDerWaalsContact O-CB 3.28Å; H49-K53 WeakPolarHBondContact O-CB 3.5Å; H49-K53 WeakPolarHBondContact O-CG 3.33Å; H49-K53 PolarHBondContact O-N 2.94Å; H49-I65 HydrophobicContact CB-CD1 4.24Å; H49-E67 IonicContact CE1-OE1 3.3Å; H49-D83 IonicContact CD2-OD1 2.72Å; H49-D83 IonicContact NE2-OD1 3.16Å
50	R	91.4	Very high	88.1	Confident	144 Å²	144	69.9 Å²	69.9	54%	0.543	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-44.4	173.9	-79.2	-170.2	-127.1	116.7	-7.4	111.3	Q46 S47 R48 S54	Q46-R50 WeakPolarHBondContact O-CB 3.44Å; Q46-R50 VanDerWaalsContact O-CG 3.29Å; Q46-R50 WeakPolarHBondContact O-CG 3.27Å; Q46-R50 PolarHBondContact O-N 3.36Å; Q46-R50 VanDerWaalsContact O-N 3.09Å; S47-R50 PolarHBondContact O-N 3.31Å; R48-R50 PolarHBondContact O-N 2.76Å; R50-S54 WeakPolarHBondContact O-CB 3.27Å; R50-S54 PolarHBondContact O-N 2.9Å
51	F	92.9	Very high	87.6	Confident	47 Å²	47	64 Å²	64	21%	0.206	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-52.7	176	169.5	-104.6	0	0	0	111.4	Y39 S47 R48 K53 S54 I55 V105 Q107 I108	Y39-F51 HydrophobicContact CD1-CE1 4.47Å; Y39-F51 HydrophobicContact CE1-CD1 4.06Å; Y39-F51 AromaticContact CE1-CE1 3.9Å; Y39-F51 HydrophobicContact CE1-CE1 3.9Å; S47-F51 WeakPolarHBondContact O-CB 3.33Å; S47-F51 PolarHBondContact O-N 3.29Å; R48-F51 WeakPolarHBondContact O-CB 3.16Å; R48-F51 PolarHBondContact O-N 2.73Å; F51-K53 PolarHBondContact O-N 2.93Å; F51-S54 WeakPolarHBondContact O-CB 3.45Å; F51-S54 PolarHBondContact O-N 3.25Å; F51-S54 VanDerWaalsContact O-N 3.12Å; F51-S54 PolarHBondContact O-OG 3.07Å; F51-I55 HydrophobicContact CD1-CD1 4.27Å; F51-I55 HydrophobicContact CD2-CD1 4.24Å; F51-I55 HydrophobicContact CE1-CD1 3.7Å; F51-I55 HydrophobicContact CE2-CD1 3.68Å; F51-I55 HydrophobicContact CZ-CD1 3.39Å; F51-I55 PolarHBondContact O-N 3.36Å; F51-V105 HydrophobicContact CE2-CG1 4.31Å; F51-V105 HydrophobicContact CZ-CG1 3.68Å; F51-Q107 HydrophobicContact CE1-CB 4.33Å; F51-Q107 HydrophobicContact CE2-CB 4.28Å; F51-Q107 HydrophobicContact CE2-CG 4.3Å; F51-Q107 HydrophobicContact CZ-CB 3.77Å; F51-Q107 HydrophobicContact CZ-CG 4.3Å; F51-I108 HydrophobicContact CE1-CD1 4.3Å; F51-I108 HydrophobicContact CE1-CG1 4.04Å; F51-I108 HydrophobicContact CZ-CG1 4.34Å
52	L	91.9	Very high	87.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.2	-47.9	176.8	-76.4	-178.1	0	0	0	112.2	I37 Y39 R48 S54 I55 L56 I65 D83 I85	I37-L52 HydrophobicContact CD1-CD1 4.42Å; I37-L52 HydrophobicContact CD1-CD2 3.51Å; I37-L52 HydrophobicContact CG2-CD2 4.3Å; Y39-L52 WeakPolarHBondContact OH-CD1 3.06Å; Y39-L52 WeakPolarHBondContact OH-CD2 2.76Å; Y39-L52 WeakPolarHBondContact OH-CG 3.5Å; R48-L52 WeakPolarHBondContact O-CB 2.94Å; R48-L52 WeakPolarHBondContact O-CG 3.16Å; R48-L52 PolarHBondContact O-N 3.36Å; L52-S54 PolarHBondContact O-N 3.34Å; L52-I55 PolarHBondContact O-N 3.11Å; L52-L56 HydrophobicContact CB-CD1 4.31Å; L52-L56 WeakPolarHBondContact O-CB 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.23Å; L52-L56 PolarHBondContact O-N 3.47Å; L52-I65 HydrophobicContact CB-CD1 3.98Å; L52-I65 HydrophobicContact CD1-CD1 4.12Å; L52-D83 HydrophobicContact CD1-CB 3.86Å; L52-I85 HydrophobicContact CD1-CG2 4.05Å
53	K	92	Very high	87.5	Confident	105 Å²	105	60.1 Å²	60.1	46%	0.457	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-36.9	177.5	-73.7	179.5	177.6	-172.7	0	112	H49 F51 I55 N57 Y63 I65	H49-K53 VanDerWaalsContact O-CB 3.28Å; H49-K53 WeakPolarHBondContact O-CB 3.5Å; H49-K53 WeakPolarHBondContact O-CG 3.33Å; H49-K53 PolarHBondContact O-N 2.94Å; F51-K53 PolarHBondContact O-N 2.93Å; K53-I55 PolarHBondContact O-N 3.03Å; K53-N57 WeakPolarHBondContact O-CB 3.05Å; K53-N57 PolarHBondContact O-N 2.93Å; K53-N57 PolarHBondContact O-ND2 2.75Å; K53-Y63 HydrophobicContact CG-CE2 4.49Å; K53-Y63 WeakPolarHBondContact CG-OH 3.43Å; K53-I65 HydrophobicContact CG-CD1 4.12Å
54	S	90.7	Very high	87.5	Confident	83 Å²	83	60.6 Å²	60.6	58%	0.58	33%	0.326	S	S	*	.	H	α-helix	trans	-63.1	-30.2	177.1	78.4	0	0	0	0	113	R50 F51 L52	R50-S54 WeakPolarHBondContact O-CB 3.27Å; R50-S54 PolarHBondContact O-N 2.9Å; F51-S54 WeakPolarHBondContact O-CB 3.45Å; F51-S54 PolarHBondContact O-N 3.25Å; F51-S54 VanDerWaalsContact O-N 3.12Å; F51-S54 PolarHBondContact O-OG 3.07Å; L52-S54 PolarHBondContact O-N 3.34Å
55	I	89.5	Confident	87.5	Confident	18 Å²	18	59.3 Å²	59.3	9%	0.092	32%	0.316	C	S	.	.	H	α-helix	trans	-86.1	-52.9	176.9	-61.3	167.6	0	0	0	110.2	F51 L52 K53 N57 S58 F59 Y101 L102 V105	F51-I55 HydrophobicContact CD1-CD1 4.27Å; F51-I55 HydrophobicContact CD2-CD1 4.24Å; F51-I55 HydrophobicContact CE1-CD1 3.7Å; F51-I55 HydrophobicContact CE2-CD1 3.68Å; F51-I55 HydrophobicContact CZ-CD1 3.39Å; F51-I55 PolarHBondContact O-N 3.36Å; L52-I55 PolarHBondContact O-N 3.11Å; K53-I55 PolarHBondContact O-N 3.03Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 PolarHBondContact O-N 3.29Å; I55-S58 VanDerWaalsContact O-CB 3.31Å; I55-S58 WeakPolarHBondContact O-CB 3.35Å; I55-S58 PolarHBondContact O-N 3.1Å; I55-S58 PolarHBondContact O-OG 3.14Å; I55-F59 HydrophobicContact CG2-CE2 4.42Å; I55-Y101 HydrophobicContact CG2-CE1 3.96Å; I55-L102 HydrophobicContact CG2-CD2 3.66Å; I55-V105 HydrophobicContact CD1-CG1 4.05Å; I55-V105 HydrophobicContact CD1-CG2 4.39Å
56	L	87.7	Confident	87.4	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-31.9	-172.9	-64.1	176.4	0	0	0	113	L52 S58 F59 Y63 I85 F98	L52-L56 HydrophobicContact CB-CD1 4.31Å; L52-L56 WeakPolarHBondContact O-CB 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.23Å; L52-L56 PolarHBondContact O-N 3.47Å; L56-S58 PolarHBondContact O-N 3.33Å; L56-S58 VanDerWaalsContact O-N 3.16Å; L56-F59 PolarHBondContact O-N 2.79Å; L56-Y63 HydrophobicContact CB-CD1 3.95Å; L56-Y63 HydrophobicContact CB-CD2 4.31Å; L56-Y63 HydrophobicContact CB-CE1 3.55Å; L56-Y63 HydrophobicContact CB-CE2 3.93Å; L56-Y63 HydrophobicContact CB-CG 4.32Å; L56-Y63 HydrophobicContact CD1-CD2 3.59Å; L56-Y63 HydrophobicContact CD1-CE2 3.62Å; L56-Y63 HydrophobicContact CD1-CG 4.1Å; L56-Y63 HydrophobicContact CG-CE2 4.44Å; L56-I85 HydrophobicContact CD1-CD1 4.3Å; L56-I85 HydrophobicContact CD1-CG2 4.17Å; L56-I85 HydrophobicContact CD2-CD1 4.21Å; L56-F98 HydrophobicContact CD2-CE2 3.76Å; L56-F98 HydrophobicContact CD2-CZ 3.64Å
57	N	86.6	Confident	87.1	Confident	114 Å²	114	60.3 Å²	60.3	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.3	173.8	-72.3	-9.8	0	0	0	113.5	K53 I55 Y63	K53-N57 WeakPolarHBondContact O-CB 3.05Å; K53-N57 PolarHBondContact O-N 2.93Å; K53-N57 PolarHBondContact O-ND2 2.75Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 PolarHBondContact O-N 3.29Å; N57-Y63 PolarHBondContact OD1-OH 2.82Å
58	S	83.4	Confident	86.5	Confident	76 Å²	76	58.7 Å²	58.7	53%	0.531	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.4	172.7	73.7	0	0	0	0	112.9	I55 L56	I55-S58 VanDerWaalsContact O-CB 3.31Å; I55-S58 WeakPolarHBondContact O-CB 3.35Å; I55-S58 PolarHBondContact O-N 3.1Å; I55-S58 PolarHBondContact O-OG 3.14Å; L56-S58 PolarHBondContact O-N 3.33Å; L56-S58 VanDerWaalsContact O-N 3.16Å
59	F	78.9	Confident	85.4	Confident	54 Å²	54	62.1 Å²	62.1	24%	0.237	32%	0.319	C	S	.	.	S	Bend	trans	-103.2	141.1	177.3	-65.3	-87.5	0	0	0	110.8	I55 L56 L61 Y101	I55-F59 HydrophobicContact CG2-CE2 4.42Å; L56-F59 PolarHBondContact O-N 2.79Å; F59-L61 HydrophobicContact CB-CB 4.29Å; F59-L61 HydrophobicContact CB-CD1 3.67Å; F59-L61 HydrophobicContact CB-CG 3.82Å; F59-L61 HydrophobicContact CD1-CD1 4.48Å; F59-L61 HydrophobicContact CG-CD1 4.18Å; F59-L61 PolarHBondContact O-N 2.99Å; F59-Y101 AromaticContact CE2-CD1 3.81Å; F59-Y101 HydrophobicContact CE2-CD1 3.81Å; F59-Y101 AromaticContact CE2-CE1 3.6Å; F59-Y101 HydrophobicContact CE2-CE1 3.6Å; F59-Y101 AromaticContact CZ-CD1 3.45Å; F59-Y101 HydrophobicContact CZ-CD1 3.45Å; F59-Y101 VanDerWaalsContact CZ-CD1 3.45Å; F59-Y101 HydrophobicContact CZ-CD2 4.23Å; F59-Y101 AromaticContact CZ-CE1 3.53Å; F59-Y101 HydrophobicContact CZ-CE1 3.53Å; F59-Y101 HydrophobicContact CZ-CE2 4.29Å; F59-Y101 AromaticContact CZ-CG 3.82Å; F59-Y101 HydrophobicContact CZ-CG 3.82Å; F59-Y101 AromaticContact CZ-CZ 3.95Å
60	P	78.4	Confident	84.2	Confident	138 Å²	138	62.1 Å²	62.1	90%	0.896	32%	0.319	S	S	*	.			trans	-76.5	52.9	174	34.8	-36.4	0	0	0	111
61	L	77.5	Confident	82.6	Confident	32 Å²	32	55.7 Å²	55.7	17%	0.168	30%	0.295	C	S	.	.			trans	-114	135.3	-174.8	-66.2	171.9	0	0	0	110.4	F59 Y63 I87 L90 F98	F59-L61 HydrophobicContact CB-CB 4.29Å; F59-L61 HydrophobicContact CB-CD1 3.67Å; F59-L61 HydrophobicContact CB-CG 3.82Å; F59-L61 HydrophobicContact CD1-CD1 4.48Å; F59-L61 HydrophobicContact CG-CD1 4.18Å; F59-L61 PolarHBondContact O-N 2.99Å; L61-Y63 WeakPolarHBondContact O-CD1 3.29Å; L61-Y63 PolarHBondContact O-N 3.47Å; L61-I87 HydrophobicContact CB-CG2 4.38Å; L61-I87 HydrophobicContact CD2-CG2 4.33Å; L61-L90 HydrophobicContact CD1-CD2 4.41Å; L61-L90 HydrophobicContact CD1-CG 4.45Å; L61-L90 HydrophobicContact CD2-CD2 4.13Å; L61-L90 HydrophobicContact CD2-CG 4Å; L61-F98 HydrophobicContact CD1-CD2 4.15Å; L61-F98 HydrophobicContact CD1-CE2 4.06Å
62	N	83.9	Confident	81	Confident	103 Å²	103	58.4 Å²	58.4	55%	0.551	32%	0.318	S	S	*	.			trans	-78.2	114.1	163.7	-75.9	-13.2	0	0	0	108.3	F88	N62-F88 HydrophobicContact CB-CB 4.4Å; N62-F88 HydrophobicContact CB-CD2 4.31Å; N62-F88 WeakPolarHBondContact O-CD2 3.32Å; N62-F88 PolarHBondContact O-N 2.87Å
63	Y	88.1	Confident	79.2	Confident	51 Å²	51	61.9 Å²	61.9	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156	179.4	73.1	-88.4	0	0	0	111.7	K53 L56 N57 L61 I65 K86	K53-Y63 HydrophobicContact CG-CE2 4.49Å; K53-Y63 WeakPolarHBondContact CG-OH 3.43Å; L56-Y63 HydrophobicContact CB-CD1 3.95Å; L56-Y63 HydrophobicContact CB-CD2 4.31Å; L56-Y63 HydrophobicContact CB-CE1 3.55Å; L56-Y63 HydrophobicContact CB-CE2 3.93Å; L56-Y63 HydrophobicContact CB-CG 4.32Å; L56-Y63 HydrophobicContact CD1-CD2 3.59Å; L56-Y63 HydrophobicContact CD1-CE2 3.62Å; L56-Y63 HydrophobicContact CD1-CG 4.1Å; L56-Y63 HydrophobicContact CG-CE2 4.44Å; N57-Y63 PolarHBondContact OD1-OH 2.82Å; L61-Y63 WeakPolarHBondContact O-CD1 3.29Å; L61-Y63 PolarHBondContact O-N 3.47Å; Y63-I65 HydrophobicContact CD2-CG1 4.33Å; Y63-I65 HydrophobicContact CE2-CD1 4.49Å; Y63-I65 HydrophobicContact CE2-CG1 4.19Å; Y63-K86 CarbonylContact C-O 3.52Å; Y63-K86 WeakPolarHBondContact CA-O 3.47Å
64	S	88.7	Confident	77.6	Confident	46 Å²	46	58.5 Å²	58.5	32%	0.322	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.4	167.2	58.5	0	0	0	0	108.7	K86	S64-K86 PolarHBondContact N-O 2.97Å; S64-K86 PolarHBondContact O-N 3.46Å
65	I	88.3	Confident	76.1	Confident	22 Å²	22	56.7 Å²	56.7	11%	0.113	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.2	170.7	-55.7	175.6	0	0	0	105.2	H49 L52 K53 Y63 E67 D83 I85	H49-I65 HydrophobicContact CB-CD1 4.24Å; L52-I65 HydrophobicContact CB-CD1 3.98Å; L52-I65 HydrophobicContact CD1-CD1 4.12Å; K53-I65 HydrophobicContact CG-CD1 4.12Å; Y63-I65 HydrophobicContact CD2-CG1 4.33Å; Y63-I65 HydrophobicContact CE2-CD1 4.49Å; Y63-I65 HydrophobicContact CE2-CG1 4.19Å; I65-E67 PolarHBondContact O-N 2.94Å; I65-D83 HydrophobicContact CG2-CB 4.48Å; I65-I85 HydrophobicContact CG1-CG2 4.19Å
66	M	84.8	Confident	74.8	Confident	58 Å²	58	65.8 Å²	65.8	29%	0.286	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-65	122.1	178.9	-66.7	179.6	71.1	0	0	108.6	E34 R68 V84 K86	E34-M66 VanDerWaalsContact CD-SD 3.6Å; E34-M66 HydrophobicContact CG-SD 3.98Å; M66-R68 PolarHBondContact O-N 2.69Å; M66-V84 HydrophobicContact CB-CB 4.24Å; M66-V84 HydrophobicContact CG-CB 4.43Å; M66-V84 HydrophobicContact CG-CG1 4.36Å; M66-V84 PolarHBondContact N-O 3.32Å; M66-V84 HydrophobicContact SD-CB 3.96Å; M66-V84 HydrophobicContact SD-CG1 3.47Å; M66-V84 WeakPolarHBondContact SD-CG1 3.31Å; M66-K86 HydrophobicContact CG-CB 4.4Å
67	E	81.1	Confident	73.6	Confident	96 Å²	96	70.7 Å²	70.7	45%	0.449	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-64.7	133	170.4	-77.8	-68.6	156.8	0	0	108.4	H49 I65	H49-E67 IonicContact CE1-OE1 3.3Å; I65-E67 PolarHBondContact O-N 2.94Å
68	R	77.4	Confident	73.1	Confident	16 Å²	16	69.1 Å²	69.1	6%	0.06	37%	0.369	C	S	.	.			trans	-106.3	151.6	-178.3	-74.6	-177	50.9	-154.6	-8	111.3	M66 Y70 S80 F82 D297	M66-R68 PolarHBondContact O-N 2.69Å; R68-Y70 HydrophobicContact CB-CE2 4.29Å; R68-Y70 WeakPolarHBondContact O-CD2 3.44Å; R68-Y70 WeakPolarHBondContact O-CE2 3.27Å; R68-Y70 PolarHBondContact O-N 2.97Å; R68-S80 PolarHBondContact NH1-OG 3.33Å; R68-S80 PolarHBondContact NH2-OG 2.79Å; R68-F82 VanDerWaalsContact NH1-CG 3.27Å; R68-F82 PolarHBondContact NH1-O 2.77Å; R68-D297 IonicContact CZ-OD1 3.74Å; R68-D297 IonicContact CZ-OD2 3.51Å; R68-D297 VanDerWaalsContact NE-CG 3.26Å; R68-D297 IonicContact NE-OD1 2.67Å; R68-D297 PolarHBondContact NE-OD1 3.03Å; R68-D297 VanDerWaalsContact NE-OD1 3.11Å; R68-D297 IonicContact NE-OD2 3.4Å; R68-D297 PolarHBondContact NE-OD2 3.15Å; R68-D297 IonicContact NH2-OD1 2.74Å; R68-D297 PolarHBondContact NH2-OD1 2.84Å; R68-D297 IonicContact NH2-OD2 2.72Å; R68-D297 PolarHBondContact NH2-OD2 2.67Å
69	W	69.2	Low	73.1	Confident	76 Å²	76	69.4 Å²	69.4	29%	0.288	36%	0.36	S	S	.	.			trans	-76.4	124.4	177.9	-176.7	87.7	0	0	0	107.6	P71 T211 W213 I217	W69-P71 HydrophobicContact CH2-CB 3.76Å; W69-P71 HydrophobicContact CZ3-CB 3.72Å; W69-P71 HydrophobicContact CZ3-CG 4.46Å; W69-T211 HydrophobicContact CH2-CG2 3.65Å; W69-T211 HydrophobicContact CZ2-CG2 4.49Å; W69-T211 HydrophobicContact CZ3-CG2 4.26Å; W69-W213 HydrophobicContact CD2-CZ3 4.47Å; W69-W213 HydrophobicContact CE3-CD2 4.46Å; W69-W213 AromaticContact CE3-CE3 3.96Å; W69-W213 HydrophobicContact CE3-CE3 3.96Å; W69-W213 AromaticContact CE3-CH2 3.38Å; W69-W213 HydrophobicContact CE3-CH2 3.38Å; W69-W213 AromaticContact CE3-CZ2 3.85Å; W69-W213 HydrophobicContact CE3-CZ2 3.85Å; W69-W213 AromaticContact CE3-CZ3 3.4Å; W69-W213 HydrophobicContact CE3-CZ3 3.4Å; W69-W213 VanDerWaalsContact CE3-CZ3 3.4Å; W69-W213 AromaticContact CZ3-CH2 3.4Å; W69-W213 HydrophobicContact CZ3-CH2 3.4Å; W69-W213 VanDerWaalsContact CZ3-CH2 3.4Å; W69-W213 AromaticContact CZ3-CZ2 3.47Å; W69-W213 HydrophobicContact CZ3-CZ2 3.47Å; W69-W213 VanDerWaalsContact CZ3-CZ2 3.47Å; W69-W213 AromaticContact CZ3-CZ3 3.93Å; W69-W213 HydrophobicContact CZ3-CZ3 3.93Å; W69-I217 VanDerWaalsContact CA-CD1 3.47Å; W69-I217 HydrophobicContact CB-CD1 3.62Å; W69-I217 HydrophobicContact CB-CG1 4.44Å
70	Y	65.3	Low	73.6	Confident	24 Å²	24	66.9 Å²	66.9	9%	0.094	35%	0.349	C	S	.	.			trans	-110	127.7	174.4	-61.2	-76.2	0	0	0	108.1	A45 R48 R68 K78	A45-Y70 HydrophobicContact CB-CE2 4.25Å; R48-Y70 PolarHBondContact NH2-OH 2.96Å; R68-Y70 HydrophobicContact CB-CE2 4.29Å; R68-Y70 WeakPolarHBondContact O-CD2 3.44Å; R68-Y70 WeakPolarHBondContact O-CE2 3.27Å; R68-Y70 PolarHBondContact O-N 2.97Å; Y70-K78 HydrophobicContact CD1-CB 3.87Å; Y70-K78 HydrophobicContact CD1-CG 4.35Å; Y70-K78 HydrophobicContact CD2-CB 3.78Å; Y70-K78 HydrophobicContact CD2-CD 3.62Å; Y70-K78 HydrophobicContact CD2-CG 3.57Å; Y70-K78 HydrophobicContact CE1-CB 3.94Å; Y70-K78 WeakPolarHBondContact CE1-O 3.35Å; Y70-K78 HydrophobicContact CE2-CB 3.81Å; Y70-K78 HydrophobicContact CE2-CD 3.79Å; Y70-K78 HydrophobicContact CE2-CG 3.99Å; Y70-K78 HydrophobicContact CG-CB 3.8Å; Y70-K78 HydrophobicContact CG-CD 4.33Å; Y70-K78 HydrophobicContact CG-CG 3.75Å
71	P	59.2	Low	74.2	Confident	8 Å²	8	61 Å²	61	5%	0.052	31%	0.311	C	S	.	.			trans	-63.2	156.2	-178.6	28	-37.7	0	0	0	111	W69 S73 N74 A75 Y301	W69-P71 HydrophobicContact CH2-CB 3.76Å; W69-P71 HydrophobicContact CZ3-CB 3.72Å; W69-P71 HydrophobicContact CZ3-CG 4.46Å; P71-S73 PolarHBondContact O-N 3.38Å; P71-S73 VanDerWaalsContact O-N 3.08Å; P71-N74 HydrophobicContact CG-CB 3.71Å; P71-N74 CarbonylContact O-C 3.59Å; P71-N74 WeakPolarHBondContact O-CA 2.83Å; P71-N74 PolarHBondContact O-N 2.78Å; P71-A75 WeakPolarHBondContact O-CA 3.01Å; P71-A75 WeakPolarHBondContact O-CB 3.29Å; P71-A75 PolarHBondContact O-N 3.01Å; P71-Y301 HydrophobicContact CB-CD2 3.49Å; P71-Y301 VanDerWaalsContact CB-CD2 3.49Å; P71-Y301 HydrophobicContact CB-CE2 3.05Å; P71-Y301 HydrophobicContact CB-CG 4.34Å; P71-Y301 HydrophobicContact CG-CD2 3.37Å; P71-Y301 HydrophobicContact CG-CE2 3.42Å; P71-Y301 VanDerWaalsContact CG-CE2 3.42Å; P71-Y301 HydrophobicContact CG-CG 4.32Å
72	P	58.9	Low	75	Confident	105 Å²	105	59.6 Å²	59.6	68%	0.682	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-37.1	-178.1	-26.4	33.4	0	0	0	114	N74 A75	P72-N74 VanDerWaalsContact C-N 3.31Å; P72-N74 PolarHBondContact O-N 2.74Å; P72-A75 PolarHBondContact O-N 2.82Å
73	S	54.4	Low	75.4	Confident	73 Å²	73	54.7 Å²	54.7	51%	0.51	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.6	177.5	55.8	0	0	0	0	113.7	P71	P71-S73 PolarHBondContact O-N 3.38Å; P71-S73 VanDerWaalsContact O-N 3.08Å
74	N	57.2	Low	75.6	Confident	34 Å²	34	52.3 Å²	52.3	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	4.1	-179.5	-149.3	9.1	0	0	0	111.7	P71 P72 K76 E77 K78 K79	P71-N74 HydrophobicContact CG-CB 3.71Å; P71-N74 CarbonylContact O-C 3.59Å; P71-N74 WeakPolarHBondContact O-CA 2.83Å; P71-N74 PolarHBondContact O-N 2.78Å; P72-N74 VanDerWaalsContact C-N 3.31Å; P72-N74 PolarHBondContact O-N 2.74Å; N74-K76 PolarHBondContact O-N 3.33Å; N74-E77 PolarHBondContact O-N 2.78Å; N74-K78 WeakPolarHBondContact O-CA 3.21Å; N74-K78 PolarHBondContact O-N 3.08Å; N74-K79 PolarHBondContact ND2-O 3.37Å; N74-K79 VanDerWaalsContact ND2-O 3.12Å
75	A	60.3	Low	75.7	Confident	45 Å²	45	50.1 Å²	50.1	37%	0.372	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.5	-173	0	0	0	0	0	113	P71 P72 K78	P71-A75 WeakPolarHBondContact O-CA 3.01Å; P71-A75 WeakPolarHBondContact O-CB 3.29Å; P71-A75 PolarHBondContact O-N 3.01Å; P72-A75 PolarHBondContact O-N 2.82Å; A75-K78 WeakPolarHBondContact O-CG 3.43Å
76	K	61.9	Low	75.7	Confident	209 Å²	209	52.1 Å²	52.1	91%	0.909	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-46.1	174.8	-72.3	-172.7	179.1	-179.1	0	112.7	N74	N74-K76 PolarHBondContact O-N 3.33Å
77	E	62.2	Low	75.7	Confident	104 Å²	104	49.5 Å²	49.5	49%	0.486	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-23.3	-174.8	-59.4	-170	154.8	0	0	112.9	C44 N74 K79	C44-E77 WeakPolarHBondContact CA-O 3.49Å; C44-E77 WeakPolarHBondContact CB-O 3.37Å; N74-E77 PolarHBondContact O-N 2.78Å; E77-K79 HydrophobicContact CB-CD 4.2Å; E77-K79 HydrophobicContact CB-CG 3.97Å; E77-K79 PolarHBondContact O-N 3.45Å; E77-K79 IonicContact OE1-NZ 3.96Å; E77-K79 VanDerWaalsContact OE2-CD 3.26Å; E77-K79 WeakPolarHBondContact OE2-CD 3.47Å; E77-K79 WeakPolarHBondContact OE2-CE 3.39Å; E77-K79 IonicContact OE2-NZ 3.32Å; E77-K79 PolarHBondContact OE2-NZ 2.71Å
78	K	75.8	Confident	75.7	Confident	81 Å²	81	50.4 Å²	50.4	35%	0.352	25%	0.25	S	C	.	.			trans	45.5	45.2	-177.7	-60.5	-172.1	172	-168.7	0	112.3	A45 R48 Y70 N74 A75	A45-K78 HydrophobicContact CB-CB 3.62Å; A45-K78 HydrophobicContact CB-CD 4.21Å; A45-K78 PolarHBondContact N-O 3.27Å; R48-K78 PolarHBondContact NH1-O 3.04Å; R48-K78 VanDerWaalsContact NH1-O 3.09Å; Y70-K78 HydrophobicContact CD1-CB 3.87Å; Y70-K78 HydrophobicContact CD1-CG 4.35Å; Y70-K78 HydrophobicContact CD2-CB 3.78Å; Y70-K78 HydrophobicContact CD2-CD 3.62Å; Y70-K78 HydrophobicContact CD2-CG 3.57Å; Y70-K78 HydrophobicContact CE1-CB 3.94Å; Y70-K78 WeakPolarHBondContact CE1-O 3.35Å; Y70-K78 HydrophobicContact CE2-CB 3.81Å; Y70-K78 HydrophobicContact CE2-CD 3.79Å; Y70-K78 HydrophobicContact CE2-CG 3.99Å; Y70-K78 HydrophobicContact CG-CB 3.8Å; Y70-K78 HydrophobicContact CG-CD 4.33Å; Y70-K78 HydrophobicContact CG-CG 3.75Å; N74-K78 WeakPolarHBondContact O-CA 3.21Å; N74-K78 PolarHBondContact O-N 3.08Å; A75-K78 WeakPolarHBondContact O-CG 3.43Å
79	K	82.9	Confident	75.5	Confident	83 Å²	83	54.8 Å²	54.8	36%	0.361	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131	-176.3	-78.2	176.6	179.6	162.6	0	111.5	S43 N74 E77	S43-K79 VanDerWaalsContact O-CA 3.29Å; S43-K79 WeakPolarHBondContact O-CA 3.49Å; N74-K79 PolarHBondContact ND2-O 3.37Å; N74-K79 VanDerWaalsContact ND2-O 3.12Å; E77-K79 HydrophobicContact CB-CD 4.2Å; E77-K79 HydrophobicContact CB-CG 3.97Å; E77-K79 PolarHBondContact O-N 3.45Å; E77-K79 IonicContact OE1-NZ 3.96Å; E77-K79 VanDerWaalsContact OE2-CD 3.26Å; E77-K79 WeakPolarHBondContact OE2-CD 3.47Å; E77-K79 WeakPolarHBondContact OE2-CE 3.39Å; E77-K79 IonicContact OE2-NZ 3.32Å; E77-K79 PolarHBondContact OE2-NZ 2.71Å
80	S	89.4	Confident	75.5	Confident	1 Å²	1	53 Å²	53	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	162.9	169.6	-173.8	0	0	0	0	108.6	S43 R48 R68 F82 N300	S43-S80 PolarHBondContact N-O 2.73Å; S43-S80 PolarHBondContact O-N 2.91Å; R48-S80 WeakPolarHBondContact CD-O 3.05Å; R48-S80 VanDerWaalsContact NH1-N 3.14Å; R48-S80 PolarHBondContact NH1-O 2.86Å; R68-S80 PolarHBondContact NH1-OG 3.33Å; R68-S80 PolarHBondContact NH2-OG 2.79Å; S80-F82 PolarHBondContact OG-N 3.27Å; S80-F82 PolarHBondContact OG-O 2Å; S80-N300 PolarHBondContact OG-ND2 2.82Å
81	D	91.4	Very high	75.5	Confident	15 Å²	15	54.6 Å²	54.6	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	8.4	175.8	67.7	-39.3	0	0	0	112.6	S38 Y39 H42 N300 K327	S38-D81 CarbonylContact C-O 3.58Å; S38-D81 WeakPolarHBondContact CA-O 3.42Å; Y39-D81 VanDerWaalsContact CD2-O 3.28Å; Y39-D81 WeakPolarHBondContact CD2-O 3.48Å; Y39-D81 PolarHBondContact N-O 3.29Å; H42-D81 IonicContact NE2-OD1 2.59Å; D81-N300 PolarHBondContact OD1-ND2 3.15Å; D81-K327 VanDerWaalsContact CG-NZ 3.31Å; D81-K327 IonicContact OD1-NZ 3.21Å; D81-K327 PolarHBondContact OD1-NZ 2.94Å; D81-K327 IonicContact OD2-NZ 2.87Å; D81-K327 PolarHBondContact OD2-NZ 3.03Å
82	F	93.8	Very high	75.3	Confident	1 Å²	1	62.5 Å²	62.5	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	165.8	171	78.4	-85.2	0	0	0	112.3	I36 I37 R68 S80 V84 S293 L296	I36-F82 HydrophobicContact CG2-CB 4.29Å; I36-F82 HydrophobicContact CG2-CD2 3.81Å; I36-F82 HydrophobicContact CG2-CG 4.31Å; I37-F82 CarbonylContact O-C 3.54Å; I37-F82 WeakPolarHBondContact O-CA 3.47Å; I37-F82 VanDerWaalsContact O-CB 3.26Å; I37-F82 WeakPolarHBondContact O-CB 3.21Å; R68-F82 VanDerWaalsContact NH1-CG 3.27Å; R68-F82 PolarHBondContact NH1-O 2.77Å; S80-F82 PolarHBondContact OG-N 3.27Å; S80-F82 PolarHBondContact OG-O 2Å; F82-V84 HydrophobicContact CD2-CG2 4.31Å; F82-V84 HydrophobicContact CE2-CG2 3.96Å; F82-S293 WeakPolarHBondContact CZ-O 3.37Å; F82-L296 HydrophobicContact CD1-CB 4.01Å; F82-L296 HydrophobicContact CD1-CD1 4.21Å; F82-L296 HydrophobicContact CD2-CD1 4.24Å; F82-L296 HydrophobicContact CE1-CB 3.2Å; F82-L296 HydrophobicContact CE1-CD1 4.07Å; F82-L296 HydrophobicContact CE1-CG 4.28Å; F82-L296 HydrophobicContact CE2-CB 4.24Å; F82-L296 HydrophobicContact CE2-CD1 4.09Å; F82-L296 HydrophobicContact CG-CD1 4.29Å; F82-L296 HydrophobicContact CZ-CB 3.34Å; F82-L296 HydrophobicContact CZ-CD1 4.01Å; F82-L296 HydrophobicContact CZ-CG 4.29Å
83	D	93.4	Very high	75.3	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.6	166.6	-65.1	-57.5	0	0	0	109.7	I37 Y39 R48 H49 L52 I65	I37-D83 PolarHBondContact N-O 3.17Å; I37-D83 PolarHBondContact O-N 3.39Å; Y39-D83 HydrophobicContact CE2-CB 4.49Å; Y39-D83 VanDerWaalsContact CE2-OD2 3.29Å; Y39-D83 WeakPolarHBondContact CE2-OD2 3.46Å; Y39-D83 PolarHBondContact OH-OD2 3.35Å; R48-D83 WeakPolarHBondContact CB-OD2 3.35Å; R48-D83 IonicContact CZ-OD1 3.33Å; R48-D83 IonicContact CZ-OD2 3.86Å; R48-D83 IonicContact NE-OD1 3.06Å; R48-D83 PolarHBondContact NE-OD1 2.9Å; R48-D83 IonicContact NE-OD2 4Å; R48-D83 PolarHBondContact NE-OD2 3.45Å; R48-D83 IonicContact NH2-OD1 2.87Å; R48-D83 PolarHBondContact NH2-OD1 2.99Å; R48-D83 IonicContact NH2-OD2 2.86Å; H49-D83 IonicContact CD2-OD1 2.72Å; H49-D83 IonicContact NE2-OD1 3.16Å; L52-D83 HydrophobicContact CD1-CB 3.86Å; I65-D83 HydrophobicContact CG2-CB 4.48Å
84	V	91.1	Very high	76	Confident	2 Å²	2	65 Å²	65	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.1	172	-172.9	0	0	0	0	108.7	E34 F35 I36 M66 F82	E34-V84 HydrophobicContact CB-CG1 4Å; E34-V84 HydrophobicContact CG-CG1 4.5Å; F35-V84 CarbonylContact O-C 3.58Å; F35-V84 VanDerWaalsContact O-CA 3.32Å; F35-V84 WeakPolarHBondContact O-CA 3.03Å; I36-V84 HydrophobicContact CG1-CG2 4.4Å; M66-V84 HydrophobicContact CB-CB 4.24Å; M66-V84 HydrophobicContact CG-CB 4.43Å; M66-V84 HydrophobicContact CG-CG1 4.36Å; M66-V84 PolarHBondContact N-O 3.32Å; M66-V84 HydrophobicContact SD-CB 3.96Å; M66-V84 HydrophobicContact SD-CG1 3.47Å; M66-V84 WeakPolarHBondContact SD-CG1 3.31Å; F82-V84 HydrophobicContact CD2-CG2 4.31Å; F82-V84 HydrophobicContact CE2-CG2 3.96Å
85	I	91.1	Very high	76.8	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.2	177.1	59.7	161.9	0	0	0	109.8	E34 F35 I37 L52 L56 I65 I87 F98 L102	E34-I85 CarbonylContact C-O 3.53Å; E34-I85 VanDerWaalsContact CA-O 3.24Å; E34-I85 WeakPolarHBondContact CA-O 3.5Å; F35-I85 HydrophobicContact CB-CD1 4.37Å; F35-I85 HydrophobicContact CB-CG1 3.83Å; F35-I85 HydrophobicContact CD2-CG1 4.41Å; F35-I85 PolarHBondContact N-O 3.3Å; F35-I85 PolarHBondContact O-N 3Å; I37-I85 HydrophobicContact CD1-CD1 3.63Å; I37-I85 HydrophobicContact CD1-CG1 3.91Å; I37-I85 HydrophobicContact CD1-CG2 4Å; I37-I85 HydrophobicContact CG1-CD1 4.39Å; I37-I85 HydrophobicContact CG1-CG1 4.32Å; L52-I85 HydrophobicContact CD1-CG2 4.05Å; L56-I85 HydrophobicContact CD1-CD1 4.3Å; L56-I85 HydrophobicContact CD1-CG2 4.17Å; L56-I85 HydrophobicContact CD2-CD1 4.21Å; I65-I85 HydrophobicContact CG1-CG2 4.19Å; I85-I87 HydrophobicContact CD1-CD1 3.9Å; I85-I87 HydrophobicContact CD1-CG1 4.34Å; I85-F98 HydrophobicContact CD1-CE1 3.86Å; I85-F98 HydrophobicContact CD1-CZ 3.7Å; I85-L102 HydrophobicContact CD1-CD1 4.5Å
86	K	88.2	Confident	77.3	Confident	64 Å²	64	66.7 Å²	66.7	28%	0.278	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.2	174	-174	170.9	-169.5	150.8	0	110.2	T33 E34 Y63 S64 M66 F88	T33-K86 CarbonylContact O-C 3.59Å; T33-K86 WeakPolarHBondContact O-CA 3.37Å; E34-K86 HydrophobicContact CG-CB 4.05Å; E34-K86 HydrophobicContact CG-CD 4.32Å; E34-K86 HydrophobicContact CG-CG 4.03Å; E34-K86 IonicContact OE1-NZ 2.73Å; E34-K86 PolarHBondContact OE1-NZ 3.36Å; Y63-K86 CarbonylContact C-O 3.52Å; Y63-K86 WeakPolarHBondContact CA-O 3.47Å; S64-K86 PolarHBondContact N-O 2.97Å; S64-K86 PolarHBondContact O-N 3.46Å; M66-K86 HydrophobicContact CG-CB 4.4Å; K86-F88 HydrophobicContact CD-CE1 3.99Å; K86-F88 HydrophobicContact CD-CZ 3.95Å; K86-F88 HydrophobicContact CG-CE1 4.15Å; K86-F88 HydrophobicContact CG-CZ 4.03Å
87	I	85.7	Confident	78.1	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.7	-178.1	-54.5	174.8	0	0	0	109.2	T33 F35 L61 I85 L90 F98	T33-I87 WeakPolarHBondContact CB-O 3.2Å; T33-I87 VanDerWaalsContact CG2-O 3.26Å; T33-I87 WeakPolarHBondContact CG2-O 3.44Å; T33-I87 PolarHBondContact O-N 3.39Å; F35-I87 HydrophobicContact CD2-CD1 3.93Å; F35-I87 HydrophobicContact CD2-CG1 4.39Å; F35-I87 HydrophobicContact CE2-CD1 3.94Å; F35-I87 HydrophobicContact CE2-CG1 4.42Å; L61-I87 HydrophobicContact CB-CG2 4.38Å; L61-I87 HydrophobicContact CD2-CG2 4.33Å; I85-I87 HydrophobicContact CD1-CD1 3.9Å; I85-I87 HydrophobicContact CD1-CG1 4.34Å; I87-L90 HydrophobicContact CB-CD1 3.78Å; I87-L90 HydrophobicContact CB-CG 4.43Å; I87-L90 HydrophobicContact CD1-CD1 3.31Å; I87-L90 HydrophobicContact CD1-CG 4.48Å; I87-L90 HydrophobicContact CG1-CD1 4.12Å; I87-L90 HydrophobicContact CG2-CB 4.15Å; I87-L90 HydrophobicContact CG2-CD1 3.46Å; I87-L90 VanDerWaalsContact CG2-CD1 3.46Å; I87-L90 HydrophobicContact CG2-CG 3.62Å; I87-F98 HydrophobicContact CD1-CD1 4.12Å; I87-F98 HydrophobicContact CD1-CE1 3.36Å; I87-F98 HydrophobicContact CD1-CE2 4.22Å; I87-F98 HydrophobicContact CD1-CZ 3.41Å; I87-F98 VanDerWaalsContact CD1-CZ 3.41Å
88	F	80.5	Confident	79	Confident	114 Å²	114	56.8 Å²	56.8	50%	0.5	28%	0.283	S	S	.	.	S	Bend	trans	-94.9	-23.2	-169.5	-60.7	-82	0	0	0	114.5	N62 K86	N62-F88 HydrophobicContact CB-CB 4.4Å; N62-F88 HydrophobicContact CB-CD2 4.31Å; N62-F88 WeakPolarHBondContact O-CD2 3.32Å; N62-F88 PolarHBondContact O-N 2.87Å; K86-F88 HydrophobicContact CD-CE1 3.99Å; K86-F88 HydrophobicContact CD-CZ 3.95Å; K86-F88 HydrophobicContact CG-CE1 4.15Å; K86-F88 HydrophobicContact CG-CZ 4.03Å
89	N	73.9	Confident	79.4	Confident	109 Å²	109	54.6 Å²	54.6	58%	0.583	28%	0.275	S	S	*	.	S	Bend	trans	-126.8	29.5	-168.4	-65.5	-0.4	0	0	0	114.1
90	L	68.3	Low	79.4	Confident	39 Å²	39	56.2 Å²	56.2	20%	0.204	28%	0.284	C	S	.	.			trans	-85.1	128.7	178.3	-96.1	166	0	0	0	111.4	F35 L61 I87 D94 V95 F98	F35-L90 HydrophobicContact CE2-CD1 4.03Å; F35-L90 HydrophobicContact CZ-CD1 4.32Å; L61-L90 HydrophobicContact CD1-CD2 4.41Å; L61-L90 HydrophobicContact CD1-CG 4.45Å; L61-L90 HydrophobicContact CD2-CD2 4.13Å; L61-L90 HydrophobicContact CD2-CG 4Å; I87-L90 HydrophobicContact CB-CD1 3.78Å; I87-L90 HydrophobicContact CB-CG 4.43Å; I87-L90 HydrophobicContact CD1-CD1 3.31Å; I87-L90 HydrophobicContact CD1-CG 4.48Å; I87-L90 HydrophobicContact CG1-CD1 4.12Å; I87-L90 HydrophobicContact CG2-CB 4.15Å; I87-L90 HydrophobicContact CG2-CD1 3.46Å; I87-L90 VanDerWaalsContact CG2-CD1 3.46Å; I87-L90 HydrophobicContact CG2-CG 3.62Å; L90-D94 HydrophobicContact CD2-CB 3.37Å; L90-V95 HydrophobicContact CB-CG2 4.01Å; L90-V95 HydrophobicContact CD1-CG2 4.28Å; L90-V95 HydrophobicContact CD2-CG2 4.45Å; L90-V95 HydrophobicContact CG-CG2 4.5Å; L90-F98 HydrophobicContact CD1-CD1 4.24Å; L90-F98 HydrophobicContact CD1-CG 4.46Å; L90-F98 HydrophobicContact CD2-CB 4.46Å
91	S	66.6	Low	79.3	Confident	57 Å²	57	61.7 Å²	61.7	40%	0.399	31%	0.305	S	S	.	.			trans	-79.7	159.8	165.2	87.1	0	0	0	0	110.9	M93 D94 V95	S91-M93 VanDerWaalsContact C-N 3.34Å; S91-M93 PolarHBondContact O-N 3.49Å; S91-D94 WeakPolarHBondContact CB-OD2 3.08Å; S91-D94 WeakPolarHBondContact O-CB 3.41Å; S91-D94 PolarHBondContact O-N 3.01Å; S91-D94 PolarHBondContact OG-OD2 3.18Å; S91-V95 PolarHBondContact O-N 2.65Å; S91-V95 VanDerWaalsContact O-N 3.1Å
92	R	55.4	Low	79.1	Confident	174 Å²	174	61 Å²	61	66%	0.657	30%	0.301	S	S	*	.	H	α-helix	trans	-58.2	-39.9	-177.6	-170.1	177.5	-179.3	177.3	2.7	113.7	D94 V95	R92-D94 VanDerWaalsContact C-N 3.28Å; R92-V95 PolarHBondContact O-N 2.9Å
93	M	57.2	Low	78.8	Confident	153 Å²	153	63.4 Å²	63.4	75%	0.754	32%	0.318	S	S	*	.	H	α-helix	trans	-67.3	-32	176	-75.7	-116.6	-69.6	0	0	111.8	S91 N97	S91-M93 VanDerWaalsContact C-N 3.34Å; S91-M93 PolarHBondContact O-N 3.49Å; M93-N97 PolarHBondContact O-ND2 2.84Å
94	D	70.6	Confident	78.6	Confident	78 Å²	78	69.5 Å²	69.5	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-73.9	-30.8	179.2	-59.5	-40.3	0	0	0	112.1	L90 S91 R92 S96 N97 F98	L90-D94 HydrophobicContact CD2-CB 3.37Å; S91-D94 WeakPolarHBondContact CB-OD2 3.08Å; S91-D94 WeakPolarHBondContact O-CB 3.41Å; S91-D94 PolarHBondContact O-N 3.01Å; S91-D94 PolarHBondContact OG-OD2 3.18Å; R92-D94 VanDerWaalsContact C-N 3.28Å; D94-S96 PolarHBondContact O-N 3.19Å; D94-N97 PolarHBondContact O-N 3.1Å; D94-F98 WeakPolarHBondContact O-CB 3.46Å; D94-F98 PolarHBondContact O-N 3.45Å
95	V	73.3	Confident	78.6	Confident	34 Å²	34	70.7 Å²	70.7	21%	0.206	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-46.3	179.2	174.3	0	0	0	0	112.2	F35 L90 S91 R92 F98 I99	F35-V95 HydrophobicContact CE1-CG1 3.59Å; F35-V95 HydrophobicContact CZ-CG1 3.7Å; F35-V95 HydrophobicContact CZ-CG2 4.13Å; L90-V95 HydrophobicContact CB-CG2 4.01Å; L90-V95 HydrophobicContact CD1-CG2 4.28Å; L90-V95 HydrophobicContact CD2-CG2 4.45Å; L90-V95 HydrophobicContact CG-CG2 4.5Å; S91-V95 PolarHBondContact O-N 2.65Å; S91-V95 VanDerWaalsContact O-N 3.1Å; R92-V95 PolarHBondContact O-N 2.9Å; V95-F98 PolarHBondContact O-N 2.91Å; V95-I99 HydrophobicContact CG1-CD1 3.79Å; V95-I99 HydrophobicContact CG1-CG1 4.34Å; V95-I99 VanDerWaalsContact O-CG1 3.32Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.5Å
96	S	70.9	Confident	78.5	Confident	80 Å²	80	75.4 Å²	75.4	56%	0.559	39%	0.391	S	S	*	.	H	α-helix	trans	-65	-45.7	-179	-171.7	0	0	0	0	111.7	D94 F98 I99 Q100	D94-S96 PolarHBondContact O-N 3.19Å; S96-F98 VanDerWaalsContact C-N 3.29Å; S96-F98 PolarHBondContact O-N 3.18Å; S96-I99 PolarHBondContact O-N 3.44Å; S96-Q100 WeakPolarHBondContact O-CB 3.32Å; S96-Q100 PolarHBondContact O-N 3.02Å
97	N	78.5	Confident	78.6	Confident	99 Å²	99	77.2 Å²	77.2	53%	0.529	40%	0.401	S	S	.	.	H	α-helix	trans	-62.6	-38.6	176.4	-71.6	-24.6	0	0	0	111.5	M93 D94 Q100 Y101	M93-N97 PolarHBondContact O-ND2 2.84Å; D94-N97 PolarHBondContact O-N 3.1Å; N97-Q100 PolarHBondContact O-N 3.41Å; N97-Y101 VanDerWaalsContact O-CB 3.3Å; N97-Y101 WeakPolarHBondContact O-CB 3.19Å; N97-Y101 PolarHBondContact O-N 3.43Å
98	F	81.2	Confident	79	Confident	6 Å²	6	77.2 Å²	77.2	3%	0.026	40%	0.401	C	S	.	.	H	α-helix	trans	-65.2	-48.4	176.8	178.1	-103.8	0	0	0	112.3	F35 L56 L61 I85 I87 L90 D94 V95 S96 Q100 Y101 L102	F35-F98 HydrophobicContact CD2-CE1 4.48Å; L56-F98 HydrophobicContact CD2-CE2 3.76Å; L56-F98 HydrophobicContact CD2-CZ 3.64Å; L61-F98 HydrophobicContact CD1-CD2 4.15Å; L61-F98 HydrophobicContact CD1-CE2 4.06Å; I85-F98 HydrophobicContact CD1-CE1 3.86Å; I85-F98 HydrophobicContact CD1-CZ 3.7Å; I87-F98 HydrophobicContact CD1-CD1 4.12Å; I87-F98 HydrophobicContact CD1-CE1 3.36Å; I87-F98 HydrophobicContact CD1-CE2 4.22Å; I87-F98 HydrophobicContact CD1-CZ 3.41Å; I87-F98 VanDerWaalsContact CD1-CZ 3.41Å; L90-F98 HydrophobicContact CD1-CD1 4.24Å; L90-F98 HydrophobicContact CD1-CG 4.46Å; L90-F98 HydrophobicContact CD2-CB 4.46Å; D94-F98 WeakPolarHBondContact O-CB 3.46Å; D94-F98 PolarHBondContact O-N 3.45Å; V95-F98 PolarHBondContact O-N 2.91Å; S96-F98 VanDerWaalsContact C-N 3.29Å; S96-F98 PolarHBondContact O-N 3.18Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 3.29Å; F98-Y101 PolarHBondContact O-N 2.95Å; F98-L102 HydrophobicContact CD1-CD1 4.17Å; F98-L102 HydrophobicContact CE1-CD1 3.5Å; F98-L102 VanDerWaalsContact CE1-CD1 3.5Å; F98-L102 HydrophobicContact CE1-CG 4.44Å; F98-L102 HydrophobicContact CE2-CD1 3.93Å; F98-L102 HydrophobicContact CE2-CG 4.24Å; F98-L102 HydrophobicContact CZ-CD1 3.36Å; F98-L102 HydrophobicContact CZ-CG 4.17Å; F98-L102 PolarHBondContact O-N 3.2Å
99	I	83.3	Confident	79.4	Confident	35 Å²	35	75.8 Å²	75.8	18%	0.179	39%	0.394	C	S	.	.	H	α-helix	trans	-58.9	-45.6	175.1	-70.5	171.5	0	0	0	110.3	F35 V95 S96 L102 S103 V111	F35-I99 HydrophobicContact CD1-CD1 4.28Å; F35-I99 HydrophobicContact CD1-CG1 4.27Å; F35-I99 HydrophobicContact CE1-CD1 4.03Å; F35-I99 HydrophobicContact CE1-CG1 4.24Å; V95-I99 HydrophobicContact CG1-CD1 3.79Å; V95-I99 HydrophobicContact CG1-CG1 4.34Å; V95-I99 VanDerWaalsContact O-CG1 3.32Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.5Å; S96-I99 PolarHBondContact O-N 3.44Å; I99-L102 PolarHBondContact O-N 2.6Å; I99-S103 VanDerWaalsContact O-CB 3.23Å; I99-S103 WeakPolarHBondContact O-CB 3.47Å; I99-S103 PolarHBondContact O-N 3.27Å; I99-S103 PolarHBondContact O-OG 3.16Å; I99-V111 HydrophobicContact CG1-CG1 4.14Å; I99-V111 HydrophobicContact CG2-CB 4.27Å; I99-V111 HydrophobicContact CG2-CG1 4.49Å
100	Q	83.7	Confident	80.2	Confident	117 Å²	117	71.1 Å²	71.1	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-43.2	179.7	-172.6	179.8	9.4	0	0	112	S96 N97 F98 S103 N104	S96-Q100 WeakPolarHBondContact O-CB 3.32Å; S96-Q100 PolarHBondContact O-N 3.02Å; N97-Q100 PolarHBondContact O-N 3.41Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 3.29Å; Q100-S103 PolarHBondContact O-N 2.87Å; Q100-N104 PolarHBondContact O-N 3.01Å; Q100-N104 PolarHBondContact O-ND2 3.17Å
101	Y	86.3	Confident	81.2	Confident	115 Å²	115	69.7 Å²	69.7	45%	0.451	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-50.1	176.9	178.7	-87	0	0	0	111.4	I55 F59 N97 F98 S103 N104	I55-Y101 HydrophobicContact CG2-CE1 3.96Å; F59-Y101 AromaticContact CE2-CD1 3.81Å; F59-Y101 HydrophobicContact CE2-CD1 3.81Å; F59-Y101 AromaticContact CE2-CE1 3.6Å; F59-Y101 HydrophobicContact CE2-CE1 3.6Å; F59-Y101 AromaticContact CZ-CD1 3.45Å; F59-Y101 HydrophobicContact CZ-CD1 3.45Å; F59-Y101 VanDerWaalsContact CZ-CD1 3.45Å; F59-Y101 HydrophobicContact CZ-CD2 4.23Å; F59-Y101 AromaticContact CZ-CE1 3.53Å; F59-Y101 HydrophobicContact CZ-CE1 3.53Å; F59-Y101 HydrophobicContact CZ-CE2 4.29Å; F59-Y101 AromaticContact CZ-CG 3.82Å; F59-Y101 HydrophobicContact CZ-CG 3.82Å; F59-Y101 AromaticContact CZ-CZ 3.95Å; N97-Y101 VanDerWaalsContact O-CB 3.3Å; N97-Y101 WeakPolarHBondContact O-CB 3.19Å; N97-Y101 PolarHBondContact O-N 3.43Å; F98-Y101 PolarHBondContact O-N 2.95Å; Y101-S103 VanDerWaalsContact C-N 3.34Å; Y101-S103 PolarHBondContact O-N 3.01Å; Y101-N104 PolarHBondContact O-N 2.82Å
102	L	88.5	Confident	82.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.1	-37	179.1	-70.3	-176.6	0	0	0	112.3	I37 I55 I85 F98 I99 N104 V105 I108 V111	I37-L102 HydrophobicContact CD1-CD1 3.95Å; I55-L102 HydrophobicContact CG2-CD2 3.66Å; I85-L102 HydrophobicContact CD1-CD1 4.5Å; F98-L102 HydrophobicContact CD1-CD1 4.17Å; F98-L102 HydrophobicContact CE1-CD1 3.5Å; F98-L102 VanDerWaalsContact CE1-CD1 3.5Å; F98-L102 HydrophobicContact CE1-CG 4.44Å; F98-L102 HydrophobicContact CE2-CD1 3.93Å; F98-L102 HydrophobicContact CE2-CG 4.24Å; F98-L102 HydrophobicContact CZ-CD1 3.36Å; F98-L102 HydrophobicContact CZ-CG 4.17Å; F98-L102 PolarHBondContact O-N 3.2Å; I99-L102 PolarHBondContact O-N 2.6Å; L102-N104 PolarHBondContact O-N 3.32Å; L102-V105 WeakPolarHBondContact O-CB 3.36Å; L102-V105 PolarHBondContact O-N 2.86Å; L102-V105 VanDerWaalsContact O-N 3.09Å; L102-I108 HydrophobicContact CB-CD1 4.2Å; L102-I108 HydrophobicContact CD2-CD1 4.23Å; L102-I108 WeakPolarHBondContact O-CD1 3.27Å; L102-V111 HydrophobicContact CB-CG2 3.52Å; L102-V111 HydrophobicContact CD1-CG1 4.42Å; L102-V111 HydrophobicContact CD1-CG2 4.14Å
103	S	86.7	Confident	83.4	Confident	52 Å²	52	61.1 Å²	61.1	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-20.4	177.7	-59.4	0	0	0	0	113.2	I99 Q100 Y101 V105	I99-S103 VanDerWaalsContact O-CB 3.23Å; I99-S103 WeakPolarHBondContact O-CB 3.47Å; I99-S103 PolarHBondContact O-N 3.27Å; I99-S103 PolarHBondContact O-OG 3.16Å; Q100-S103 PolarHBondContact O-N 2.87Å; Y101-S103 VanDerWaalsContact C-N 3.34Å; Y101-S103 PolarHBondContact O-N 3.01Å; S103-V105 VanDerWaalsContact C-N 3.33Å
104	N	89.1	Confident	84.7	Confident	128 Å²	128	53.9 Å²	53.9	68%	0.684	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.9	175	-74.2	-24.3	0	0	0	113.6	Q100 Y101 L102	Q100-N104 PolarHBondContact O-N 3.01Å; Q100-N104 PolarHBondContact O-ND2 3.17Å; Y101-N104 PolarHBondContact O-N 2.82Å; L102-N104 PolarHBondContact O-N 3.32Å
105	V	91.2	Very high	85.1	Confident	28 Å²	28	51.6 Å²	51.6	17%	0.17	28%	0.279	C	S	.	.	S	Bend	trans	-79.1	124.3	177.9	-178.6	0	0	0	0	109.4	F51 I55 L102 S103 Q107 I108	F51-V105 HydrophobicContact CE2-CG1 4.31Å; F51-V105 HydrophobicContact CZ-CG1 3.68Å; I55-V105 HydrophobicContact CD1-CG1 4.05Å; I55-V105 HydrophobicContact CD1-CG2 4.39Å; L102-V105 WeakPolarHBondContact O-CB 3.36Å; L102-V105 PolarHBondContact O-N 2.86Å; L102-V105 VanDerWaalsContact O-N 3.09Å; S103-V105 VanDerWaalsContact C-N 3.33Å; V105-Q107 VanDerWaalsContact C-N 3.27Å; V105-Q107 PolarHBondContact O-N 3.39Å; V105-Q107 VanDerWaalsContact O-N 3.12Å; V105-I108 HydrophobicContact CB-CB 4.34Å; V105-I108 HydrophobicContact CB-CD1 3.99Å; V105-I108 HydrophobicContact CB-CG1 4.14Å; V105-I108 HydrophobicContact CG1-CD1 4.34Å; V105-I108 HydrophobicContact CG1-CG1 4.29Å; V105-I108 HydrophobicContact CG2-CD1 4.4Å; V105-I108 PolarHBondContact O-N 2.92Å
106	S	90.2	Very high	85.2	Confident	98 Å²	98	52 Å²	52	69%	0.685	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.3	-168.8	58.1	0	0	0	0	115.5
107	Q	90.4	Very high	85.2	Confident	103 Å²	103	48.1 Å²	48.1	48%	0.481	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.5	176.5	-60.1	88.1	-9.2	0	0	113.5	F51 V105	F51-Q107 HydrophobicContact CE1-CB 4.33Å; F51-Q107 HydrophobicContact CE2-CB 4.28Å; F51-Q107 HydrophobicContact CE2-CG 4.3Å; F51-Q107 HydrophobicContact CZ-CB 3.77Å; F51-Q107 HydrophobicContact CZ-CG 4.3Å; V105-Q107 VanDerWaalsContact C-N 3.27Å; V105-Q107 PolarHBondContact O-N 3.39Å; V105-Q107 VanDerWaalsContact O-N 3.12Å
108	I	92.5	Very high	84.4	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.8	179.5	-63.8	-179.2	0	0	0	108	I37 Y39 F51 L102 V105 V111	I37-I108 HydrophobicContact CG2-CD1 3.87Å; I37-I108 HydrophobicContact CG2-CG1 3.99Å; I37-I108 HydrophobicContact CG2-CG2 3.92Å; Y39-I108 HydrophobicContact CD1-CG1 4.3Å; Y39-I108 HydrophobicContact CE1-CG1 4.21Å; F51-I108 HydrophobicContact CE1-CD1 4.3Å; F51-I108 HydrophobicContact CE1-CG1 4.04Å; F51-I108 HydrophobicContact CZ-CG1 4.34Å; L102-I108 HydrophobicContact CB-CD1 4.2Å; L102-I108 HydrophobicContact CD2-CD1 4.23Å; L102-I108 WeakPolarHBondContact O-CD1 3.27Å; V105-I108 HydrophobicContact CB-CB 4.34Å; V105-I108 HydrophobicContact CB-CD1 3.99Å; V105-I108 HydrophobicContact CB-CG1 4.14Å; V105-I108 HydrophobicContact CG1-CD1 4.34Å; V105-I108 HydrophobicContact CG1-CG1 4.29Å; V105-I108 HydrophobicContact CG2-CD1 4.4Å; V105-I108 PolarHBondContact O-N 2.92Å; I108-V111 HydrophobicContact CG2-CG2 3.74Å
109	K	90.1	Very high	83.2	Confident	83 Å²	83	46.5 Å²	46.5	36%	0.361	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-44.8	176	178.5	-176.1	171.6	-162.7	0	110.9	S38 Y40 D326	S38-K109 PolarHBondContact O-N 3.13Å; Y40-K109 HydrophobicContact CD1-CB 4.1Å; Y40-K109 HydrophobicContact CD1-CD 4.38Å; Y40-K109 HydrophobicContact CD1-CG 4.1Å; Y40-K109 HydrophobicContact CD2-CB 4.12Å; Y40-K109 HydrophobicContact CE1-CB 4.01Å; Y40-K109 HydrophobicContact CE1-CD 4.42Å; Y40-K109 HydrophobicContact CE1-CG 3.78Å; Y40-K109 HydrophobicContact CE2-CB 4.02Å; Y40-K109 HydrophobicContact CG-CB 4.16Å; K109-D326 VanDerWaalsContact CE-OD2 3.28Å; K109-D326 WeakPolarHBondContact CE-OD2 3.49Å; K109-D326 IonicContact NZ-OD2 3.87Å; K109-D326 PolarHBondContact NZ-OD2 2.81Å
110	S	90	Very high	81.6	Confident	11 Å²	11	47.4 Å²	47.4	8%	0.077	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	151.2	179.8	50.9	0	0	0	0	111.2	S38	S38-S110 PolarHBondContact N-O 3.39Å; S38-S110 PolarHBondContact O-N 2.99Å
111	V	89.4	Confident	79.7	Confident	10 Å²	10	43 Å²	43	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.9	164.7	-176.5	0	0	0	0	108.4	F35 I36 I37 I99 L102 I108	F35-V111 HydrophobicContact CB-CG1 4.29Å; I36-V111 WeakPolarHBondContact O-CA 3.22Å; I37-V111 HydrophobicContact CG1-CG1 4.41Å; I37-V111 HydrophobicContact CG1-CG2 4.25Å; I37-V111 HydrophobicContact CG2-CG2 4.45Å; I99-V111 HydrophobicContact CG1-CG1 4.14Å; I99-V111 HydrophobicContact CG2-CB 4.27Å; I99-V111 HydrophobicContact CG2-CG1 4.49Å; L102-V111 HydrophobicContact CB-CG2 3.52Å; L102-V111 HydrophobicContact CD1-CG1 4.42Å; L102-V111 HydrophobicContact CD1-CG2 4.14Å; I108-V111 HydrophobicContact CG2-CG2 3.74Å
112	S	86.1	Confident	77.5	Confident	19 Å²	19	41 Å²	41	13%	0.133	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.7	-178.7	-60.9	0	0	0	0	108.6	F35 I36 P323	F35-S112 CarbonylContact C-O 3.58Å; I36-S112 WeakPolarHBondContact CA-O 3.22Å; I36-S112 PolarHBondContact N-O 3.16Å; I36-S112 PolarHBondContact O-N 2.95Å; S112-P323 VanDerWaalsContact CB-CG 3.45Å
113	P	82.7	Confident	74.8	Confident	31 Å²	31	44.7 Å²	44.7	20%	0.201	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142.3	-178.8	41.2	-41.4	0	0	0	108.6	V30 F35 K115	V30-P113 HydrophobicContact CB-CG 4.49Å; V30-P113 HydrophobicContact CG1-CB 3.24Å; V30-P113 HydrophobicContact CG1-CG 3.48Å; V30-P113 VanDerWaalsContact CG1-CG 3.48Å; V30-P113 HydrophobicContact CG2-CG 4.17Å; F35-P113 HydrophobicContact CD1-CB 4.02Å; F35-P113 HydrophobicContact CE1-CB 4.15Å; P113-K115 PolarHBondContact O-N 2.64Å
114	Q	84.1	Confident	72	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	126.9	-175.6	167	80	-28.9	0	0	109.7	V30 V31 E34 I36 Y291 S293	V30-Q114 CarbonylContact C-O 3.46Å; V30-Q114 WeakPolarHBondContact CA-O 3.03Å; V31-Q114 HydrophobicContact CB-CB 4.34Å; V31-Q114 HydrophobicContact CB-CG 4.18Å; V31-Q114 HydrophobicContact CG2-CB 4.49Å; V31-Q114 HydrophobicContact CG2-CG 3.85Å; V31-Q114 PolarHBondContact N-O 2.92Å; E34-Q114 HydrophobicContact CB-CB 3.69Å; E34-Q114 HydrophobicContact CB-CG 4.08Å; E34-Q114 VanDerWaalsContact O-CB 3.3Å; E34-Q114 WeakPolarHBondContact O-CB 3.36Å; E34-Q114 PolarHBondContact O-N 3.05Å; I36-Q114 VanDerWaalsContact CD1-OE1 3.23Å; I36-Q114 HydrophobicContact CG1-CB 4.22Å; Q114-Y291 HydrophobicContact CG-CD1 4.1Å; Q114-S293 VanDerWaalsContact NE2-CB 3.35Å; Q114-S293 PolarHBondContact NE2-OG 2.84Å; Q114-S293 VanDerWaalsContact OE1-CB 3.27Å; Q114-S293 VanDerWaalsContact OE1-N 3.1Å
115	K	79.7	Confident	69	Low	29 Å²	29	48.2 Å²	48.2	13%	0.126	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142	171.5	-60.3	-170.1	-169.1	174.9	0	112.1	S29 V30 P113 Y291 T292 D318 D321	S29-K115 CarbonylContact O-C 3.38Å; S29-K115 WeakPolarHBondContact O-CA 3.43Å; S29-K115 WeakPolarHBondContact O-CB 3.4Å; S29-K115 WeakPolarHBondContact O-CG 3.48Å; V30-K115 HydrophobicContact CG2-CG 3.88Å; P113-K115 PolarHBondContact O-N 2.64Å; K115-Y291 CarbonylContact O-C 3.08Å; K115-Y291 WeakPolarHBondContact O-CA 3.32Å; K115-T292 WeakPolarHBondContact CB-OG1 3.4Å; K115-T292 PolarHBondContact O-N 3.47Å; K115-D318 IonicContact NZ-OD1 3.75Å; K115-D318 PolarHBondContact NZ-OD1 3.28Å; K115-D321 HydrophobicContact CD-CB 4.03Å
116	Q	74.9	Confident	66.1	Low	42 Å²	42	53.4 Å²	53.4	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.3	163	171	-175.1	-20.2	0	0	106	S29 V31 I289 F290 Y291	S29-Q116 CarbonylContact C-O 3.58Å; S29-Q116 WeakPolarHBondContact CA-O 3.41Å; S29-Q116 VanDerWaalsContact CB-CB 3.48Å; S29-Q116 WeakPolarHBondContact CB-O 3.24Å; S29-Q116 PolarHBondContact N-O 2.82Å; S29-Q116 PolarHBondContact O-N 2.77Å; S29-Q116 VanDerWaalsContact O-N 3.1Å; S29-Q116 VanDerWaalsContact O-O 3.13Å; S29-Q116 VanDerWaalsContact OG-C 3.23Å; S29-Q116 WeakPolarHBondContact OG-CB 3.35Å; S29-Q116 WeakPolarHBondContact OG-CG 3.14Å; S29-Q116 PolarHBondContact OG-O 3.08Å; V31-Q116 HydrophobicContact CG2-CB 4Å; Q116-I289 HydrophobicContact CG-CG2 3.53Å; Q116-I289 VanDerWaalsContact NE2-CG2 3.33Å; Q116-F290 CarbonylContact C-O 3.52Å; Q116-F290 VanDerWaalsContact CA-O 3.24Å; Q116-F290 WeakPolarHBondContact CA-O 3.44Å; Q116-Y291 HydrophobicContact CB-CD1 3.57Å; Q116-Y291 HydrophobicContact CB-CE1 3.43Å; Q116-Y291 VanDerWaalsContact CB-CE1 3.43Å; Q116-Y291 HydrophobicContact CB-CG 4.29Å; Q116-Y291 HydrophobicContact CG-CD1 4.18Å; Q116-Y291 HydrophobicContact CG-CE1 3.77Å; Q116-Y291 HydrophobicContact CG-CE2 4.31Å; Q116-Y291 PolarHBondContact OE1-OH 3.31Å
117	I	71.5	Confident	63.1	Low	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.8	177.6	-65.5	162.5	0	0	0	106.3	Y26 I289 F290	Y26-I117 HydrophobicContact CD2-CG2 4.24Å; Y26-I117 HydrophobicContact CE1-CG2 4.21Å; Y26-I117 HydrophobicContact CE2-CG2 3.46Å; Y26-I117 VanDerWaalsContact CE2-CG2 3.46Å; Y26-I117 VanDerWaalsContact CZ-CG2 3.46Å; Y26-I117 VanDerWaalsContact OH-CD1 3.3Å; Y26-I117 WeakPolarHBondContact OH-CD1 3.41Å; I117-I289 WeakPolarHBondContact O-CA 3.34Å; I117-F290 HydrophobicContact CB-CD1 3.8Å; I117-F290 HydrophobicContact CB-CD2 4.15Å; I117-F290 HydrophobicContact CB-CE1 3.34Å; I117-F290 HydrophobicContact CB-CE2 3.74Å; I117-F290 HydrophobicContact CB-CG 4.24Å; I117-F290 HydrophobicContact CB-CZ 3.34Å; I117-F290 HydrophobicContact CD1-CD2 4.26Å; I117-F290 HydrophobicContact CD1-CE1 4.29Å; I117-F290 HydrophobicContact CD1-CE2 3.3Å; I117-F290 HydrophobicContact CD1-CZ 3.35Å; I117-F290 HydrophobicContact CG1-CE1 4.37Å; I117-F290 HydrophobicContact CG1-CE2 3.99Å; I117-F290 HydrophobicContact CG1-CZ 3.88Å; I117-F290 HydrophobicContact CG2-CD1 4.07Å; I117-F290 HydrophobicContact CG2-CE1 3.23Å; I117-F290 HydrophobicContact CG2-CE2 4.31Å; I117-F290 HydrophobicContact CG2-CZ 3.41Å; I117-F290 VanDerWaalsContact CG2-CZ 3.41Å; I117-F290 PolarHBondContact N-O 3.09Å; I117-F290 WeakPolarHBondContact O-CD1 3.44Å; I117-F290 PolarHBondContact O-N 2.96Å
118	N	61.4	Low	60	Low	47 Å²	47	58.2 Å²	58.2	25%	0.251	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.9	174.4	-170.2	17.3	0	0	0	109	V27 T287 I289	V27-N118 PolarHBondContact N-O 3.17Å; V27-N118 PolarHBondContact O-N 3.28Å; N118-T287 PolarHBondContact OD1-O 2.94Å; N118-I289 HydrophobicContact CB-CG1 4.21Å
119	R	55.4	Low	56.7	Low	24 Å²	24	59.7 Å²	59.7	9%	0.091	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.5	174.4	-172.6	-177.1	-175.5	-177.6	4	108.6	Q288 S313	R119-Q288 HydrophobicContact CB-CB 4.3Å; R119-Q288 PolarHBondContact N-O 3.29Å; R119-Q288 VanDerWaalsContact O-CB 3.3Å; R119-Q288 WeakPolarHBondContact O-CB 3.17Å; R119-Q288 PolarHBondContact O-OE1 3Å; R119-S313 PolarHBondContact NH1-O 3.36Å
120	V	50.2	Low	53.7	Low	53 Å²	53	64 Å²	64	32%	0.321	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	102.1	164.6	-172.7	0	0	0	0	107.2	Y24 E25 L122	Y24-V120 VanDerWaalsContact CA-O 3.31Å; Y24-V120 WeakPolarHBondContact CA-O 3.44Å; E25-V120 HydrophobicContact CB-CB 4.05Å; E25-V120 HydrophobicContact CB-CG2 4.33Å; E25-V120 PolarHBondContact N-O 3.28Å; E25-V120 VanDerWaalsContact N-O 3.1Å; E25-V120 PolarHBondContact O-N 2.88Å; V120-L122 HydrophobicContact CG1-CD2 4.16Å; V120-L122 PolarHBondContact O-N 2.85Å
121	L	43.5	Very low	50.7	Low	24 Å²	24	68.6 Å²	68.6	13%	0.126	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	108.1	156.7	-78.8	171.5	0	0	0	106.8	N123 Q288	L121-N123 PolarHBondContact O-N 3.07Å; L121-Q288 VanDerWaalsContact CD1-NE2 3.34Å
122	L	38.9	Very low	47.8	Very low	74 Å²	74	74.7 Å²	74.7	39%	0.387	39%	0.385	S	S	.	.			trans	-66.3	94.1	161.2	-70.4	-175.1	0	0	0	107.5	L22 S23 V120 Y124	L22-L122 WeakPolarHBondContact CG-O 3.5Å; S23-L122 WeakPolarHBondContact O-CB 3.41Å; S23-L122 WeakPolarHBondContact O-CD1 3.3Å; S23-L122 WeakPolarHBondContact O-CG 3.42Å; S23-L122 WeakPolarHBondContact OG-CD1 3.09Å; V120-L122 HydrophobicContact CG1-CD2 4.16Å; V120-L122 PolarHBondContact O-N 2.85Å; L122-Y124 VanDerWaalsContact C-N 3.33Å; L122-Y124 PolarHBondContact O-N 3.3Å
123	N	32.6	Very low	45	Very low	77 Å²	77	80.7 Å²	80.7	41%	0.412	41%	0.41	S	S	.	.			trans	-64.8	100.2	162.2	-83.5	-7.7	0	0	0	106.7	L121 D125	L121-N123 PolarHBondContact O-N 3.07Å; N123-D125 PolarHBondContact O-N 2.03Å
124	Y	27.8	Very low	42.3	Very low	154 Å²	154	86.6 Å²	86.6	60%	0.604	44%	0.44	S	S	*	.			trans	-77.6	92	148.2	-117	-91.3	0	0	0	105.7	L122 I126	L122-Y124 VanDerWaalsContact C-N 3.33Å; L122-Y124 PolarHBondContact O-N 3.3Å; Y124-I126 PolarHBondContact O-N 2.85Å; Y124-I126 VanDerWaalsContact O-N 3.14Å
125	D	26.8	Very low	39.7	Very low	101 Å²	101	92.4 Å²	92.4	54%	0.54	48%	0.481	S	S	.	.			trans	-55.5	119.8	156.5	-82.4	-29.2	0	0	0	105.8	N123 N127	N123-D125 PolarHBondContact O-N 2.03Å; D125-N127 HydrophobicContact CB-CB 4.25Å; D125-N127 PolarHBondContact O-N 3.12Å
126	I	30.2	Very low	37.3	Very low	136 Å²	136	95.8 Å²	95.8	70%	0.697	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	8.4	173	-62.3	171.5	0	0	0	110.5	Y124 D128	Y124-I126 PolarHBondContact O-N 2.85Å; Y124-I126 VanDerWaalsContact O-N 3.14Å; I126-D128 PolarHBondContact O-N 3.37Å
127	N	27.7	Very low	35	Very low	135 Å²	135	105.2 Å²	105.2	72%	0.722	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.6	-176.7	-67.1	-17.3	0	0	0	114.1	D125 G129	D125-N127 HydrophobicContact CB-CB 4.25Å; D125-N127 PolarHBondContact O-N 3.12Å; N127-G129 VanDerWaalsContact C-N 3.29Å; N127-G129 PolarHBondContact O-N 2.84Å
128	D	23.6	Very low	32.9	Very low	167 Å²	167	113.9 Å²	113.9	89%	0.893	59%	0.587	S	S	*	*	S	Bend	trans	-90.9	68.3	168.2	-82.1	-11.3	0	0	0	111.1	I126	I126-D128 PolarHBondContact O-N 3.37Å
129	G	24.6	Very low	31.4	Very low	35 Å²	35	118.9 Å²	118.9	36%	0.361	61%	0.614	S	S	.	*	S	Bend	trans	-169.5	124.3	163	0	0	0	0	0	108.6	N127 F131	N127-G129 VanDerWaalsContact C-N 3.29Å; N127-G129 PolarHBondContact O-N 2.84Å; G129-F131 PolarHBondContact O-N 3.02Å
130	E	26.3	Very low	30.1	Very low	174 Å²	174	122.6 Å²	122.6	81%	0.813	64%	0.643	S	S	*	*			trans	-59.5	50.3	166.7	-65.1	175.8	129.9	0	0	112.1	L132	E130-L132 PolarHBondContact O-N 2.83Å
131	F	27	Very low	29	Very low	107 Å²	107	131.1 Å²	131.1	47%	0.469	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	108.4	173.8	-90.4	-94.4	0	0	0	107.4	G129 Q151	G129-F131 PolarHBondContact O-N 3.02Å; F131-Q151 HydrophobicContact CE1-CB 3.89Å; F131-Q151 HydrophobicContact CE1-CG 4.02Å; F131-Q151 HydrophobicContact CZ-CB 4.49Å
132	L	28.1	Very low	28.2	Very low	138 Å²	138	141 Å²	141	72%	0.723	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	108.5	5.1	176.4	-56.5	170.9	0	0	0	116.3	E130	E130-L132 PolarHBondContact O-N 2.83Å
133	H	28.3	Very low	27.5	Very low	145 Å²	145	145.2 Å²	145.2	67%	0.671	73%	0.728	S	S	*	*	S	Bend	trans	-85.3	115.4	162.6	-75.5	-67.3	0	0	0	110
134	N	26.5	Very low	27.1	Very low	155 Å²	155	148.9 Å²	148.9	83%	0.829	75%	0.747	S	S	*	*	S	Bend	trans	94.8	46.2	171.4	-52.5	-30	0	0	0	119
135	S	28.3	Very low	26.9	Very low	124 Å²	124	150.8 Å²	150.8	87%	0.867	76%	0.759	S	S	*	*			trans	-113.4	25.1	156.6	-155.7	0	0	0	0	113.6
136	S	29.9	Very low	27	Very low	99 Å²	99	152 Å²	152	69%	0.692	76%	0.764	S	S	*	*	S	Bend	trans	-118.3	53.1	176.6	57.8	0	0	0	0	111.6
137	R	27	Very low	26.8	Very low	241 Å²	241	155.1 Å²	155.1	91%	0.909	77%	0.773	S	S	*	*			trans	176.9	101	158.5	-98.3	154.7	-162.9	-150.3	7.5	107.7
138	L	27.5	Very low	26.6	Very low	182 Å²	182	151.6 Å²	151.6	95%	0.953	77%	0.769	S	S	*	*			trans	-170.3	101.6	136.6	-98.5	157.6	0	0	0	108.2
139	D	28.8	Very low	26.5	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	77%	0.769	S	S	*	*			trans	-47.7	156.7	168.8	-87.1	-50.4	0	0	0	113.8	R141	D139-R141 PolarHBondContact O-N 3.14Å
140	S	28.5	Very low	26.6	Very low	101 Å²	101	155 Å²	155	71%	0.706	79%	0.787	S	S	*	*	S	Bend	trans	-28.2	118.2	158.9	58.7	0	0	0	0	114.9
141	R	26.8	Very low	26.5	Very low	232 Å²	232	152.7 Å²	152.7	88%	0.875	78%	0.776	S	S	*	*			trans	148.4	114.1	134.1	-81.3	173.8	-175.4	-164.2	2.8	111.2	D139	D139-R141 PolarHBondContact O-N 3.14Å
142	R	27.2	Very low	26.4	Very low	231 Å²	231	157.2 Å²	157.2	87%	0.872	79%	0.79	S	S	*	*			trans	35	104.9	145.2	-61.4	180	179.9	164.2	-0.5	117.4
143	N	25.1	Very low	26.4	Very low	163 Å²	163	157.3 Å²	157.3	87%	0.872	78%	0.782	S	S	*	*				-175.8	130.8	110.6	-90.7	-27.7	0	0	0	111.9	K145	N143-K145 PolarHBondContact O-N 3.06Å
144	L	24.2	Very low	26.5	Very low	155 Å²	155	153.7 Å²	153.7	81%	0.812	77%	0.772	S	S	*	*			trans	-46.4	120.1	164.6	-89.6	73.4	0	0	0	110.7	L146	L144-L146 HydrophobicContact CD2-CD1 4.05Å
145	K	23.6	Very low	26.9	Very low	193 Å²	193	151.4 Å²	151.4	84%	0.839	77%	0.766	S	S	*	*			trans	-117.3	110	135.9	-84.5	-174.3	175.8	-179.5	0	107.2	N143	N143-K145 PolarHBondContact O-N 3.06Å
146	L	27.5	Very low	27.9	Very low	127 Å²	127	147.4 Å²	147.4	67%	0.665	75%	0.745	S	S	*	*	S	Bend	trans	-44.8	143	154.3	-86.5	77	0	0	0	108.1	L144	L144-L146 HydrophobicContact CD2-CD1 4.05Å
147	F	25.6	Very low	29.6	Very low	202 Å²	202	144.5 Å²	144.5	89%	0.886	72%	0.723	S	S	*	*			trans	78.9	49.1	-175.3	-43.9	-72.2	0	0	0	114.4
148	G	23.9	Very low	32	Very low	60 Å²	60	136 Å²	136	62%	0.619	70%	0.695	S	S	*	*			trans	-81.7	124.2	163.3	0	0	0	0	0	110.7	S150	G148-S150 PolarHBondContact O-N 3.49Å
149	N	21.6	Very low	34.4	Very low	170 Å²	170	130 Å²	130	91%	0.909	67%	0.667	S	S	*	*			trans	-52	96.6	172.9	-78.8	-20.7	0	0	0	111.5	Q151	N149-Q151 PolarHBondContact O-N 3.15Å
150	S	26.9	Very low	36.9	Very low	104 Å²	104	123.2 Å²	123.2	73%	0.727	63%	0.631	S	S	*	*			trans	-72.6	112.7	162.1	-62.4	0	0	0	0	108.4	G148 R152	G148-S150 PolarHBondContact O-N 3.49Å; S150-R152 WeakPolarHBondContact O-CG 3.39Å; S150-R152 PolarHBondContact O-N 3.02Å
151	Q	24.1	Very low	39.4	Very low	125 Å²	125	121.4 Å²	121.4	58%	0.584	61%	0.613	S	S	*	*			trans	-33.4	105.8	157.3	-73.2	174.5	-9.8	0	0	110.4	F131 N149 Y153	F131-Q151 HydrophobicContact CE1-CB 3.89Å; F131-Q151 HydrophobicContact CE1-CG 4.02Å; F131-Q151 HydrophobicContact CZ-CB 4.49Å; N149-Q151 PolarHBondContact O-N 3.15Å; Q151-Y153 PolarHBondContact O-N 2.8Å
152	R	24.6	Very low	41.7	Very low	202 Å²	202	112.1 Å²	112.1	76%	0.762	58%	0.583	S	S	*	*			trans	-83.9	91.3	-176.7	-67.6	-176.1	-174.6	165.3	1.3	108.9	S150	S150-R152 WeakPolarHBondContact O-CG 3.39Å; S150-R152 PolarHBondContact O-N 3.02Å
153	Y	28.4	Very low	44.2	Very low	141 Å²	141	103 Å²	103	55%	0.553	55%	0.551	S	S	*	*			trans	-51.1	140.8	146.7	-67.8	-84.3	0	0	0	107.7	Q151 P155 P159	Q151-Y153 PolarHBondContact O-N 2.8Å; Y153-P155 VanDerWaalsContact O-CD 3.32Å; Y153-P155 WeakPolarHBondContact O-CD 3.35Å; Y153-P159 HydrophobicContact CD1-CG 4.33Å; Y153-P159 HydrophobicContact CE1-CG 4.03Å
154	S	30.6	Very low	46.8	Very low	68 Å²	68	97.6 Å²	97.6	48%	0.476	52%	0.52	S	S	.	.			trans	-46.7	120.5	169.5	-71.6	0	0	0	0	108.9	G156	S154-G156 PolarHBondContact O-N 3.42Å
155	P	35.4	Very low	49.9	Very low	107 Å²	107	90.4 Å²	90.4	70%	0.695	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	113.9	178.4	-21.5	31	0	0	0	109.6	Y153 R375	Y153-P155 VanDerWaalsContact O-CD 3.32Å; Y153-P155 WeakPolarHBondContact O-CD 3.35Å; P155-R375 PolarHBondContact O-NH1 2.72Å
156	G	49	Very low	53.1	Low	41 Å²	41	81.4 Å²	81.4	42%	0.423	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	129.2	-5.3	165.3	0	0	0	0	0	118.7	S154	S154-G156 PolarHBondContact O-N 3.42Å
157	T	65.2	Low	56.1	Low	37 Å²	37	75.9 Å²	75.9	23%	0.227	41%	0.414	C	S	.	.			trans	-146.2	112.7	175.5	-52.4	0	0	0	0	110.5	D368 A374 R375 F376 T402	T157-D368 HydrophobicContact CG2-CB 4.02Å; T157-A374 HydrophobicContact CG2-CB 4.02Å; T157-R375 WeakPolarHBondContact OG1-CB 3.44Å; T157-R375 PolarHBondContact OG1-N 3.42Å; T157-F376 HydrophobicContact CG2-CD1 4.39Å; T157-F376 HydrophobicContact CG2-CE1 4Å; T157-T402 HydrophobicContact CG2-CG2 3.21Å
158	L	77.5	Confident	59	Low	63 Å²	63	69.7 Å²	69.7	33%	0.33	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-87.5	126.3	-177.7	-71.9	166.5	0	0	0	111.5	A369 L370 T402	L158-A369 HydrophobicContact CB-CB 4.19Å; L158-A369 WeakPolarHBondContact O-CB 3.41Å; L158-A369 PolarHBondContact O-N 3.09Å; L158-L370 HydrophobicContact CD1-CD1 3.34Å; L158-L370 HydrophobicContact CD1-CD2 4.35Å; L158-L370 HydrophobicContact CD1-CG 3.57Å; L158-T402 PolarHBondContact O-OG1 3.11Å
159	P	78	Confident	62.2	Low	55 Å²	55	68.9 Å²	68.9	36%	0.357	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-69.2	150.2	175.5	30.2	-34.6	0	0	0	111.2	Y153 A369	Y153-P159 HydrophobicContact CD1-CG 4.33Å; Y153-P159 HydrophobicContact CE1-CG 4.03Å; P159-A369 VanDerWaalsContact O-CB 3.25Å; P159-A369 WeakPolarHBondContact O-CB 3.47Å
160	L	81.5	Confident	65.5	Low	11 Å²	11	61.4 Å²	61.4	6%	0.058	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-63.6	146.8	174.3	-71	167.4	0	0	0	111.2	P166 L169 A369 F400 T402 V404	L160-P166 HydrophobicContact CD1-CG 3.92Å; L160-L169 HydrophobicContact CD2-CD1 3.55Å; L160-A369 HydrophobicContact CD2-CB 3.93Å; L160-A369 HydrophobicContact CG-CB 4.41Å; L160-F400 HydrophobicContact CD1-CB 4.04Å; L160-F400 HydrophobicContact CD2-CB 4.42Å; L160-F400 HydrophobicContact CD2-CD1 3.98Å; L160-F400 HydrophobicContact CD2-CG 4.37Å; L160-T402 WeakPolarHBondContact CB-O 3.29Å; L160-T402 WeakPolarHBondContact CD1-O 3.48Å; L160-T402 WeakPolarHBondContact CG-O 3.44Å; L160-T402 PolarHBondContact N-O 3.22Å; L160-V404 HydrophobicContact CD1-CG2 3.71Å
161	D	80	Confident	68.5	Low	62 Å²	62	61.8 Å²	61.8	33%	0.332	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-60.5	132.5	165	-177.7	-28.9	0	0	0	108.6	L163 K164 Q165	D161-L163 PolarHBondContact O-N 2.85Å; D161-L163 VanDerWaalsContact O-N 3.08Å; D161-L163 WeakPolarHBondContact OD1-CB 3.48Å; D161-L163 PolarHBondContact OD1-N 3.32Å; D161-K164 HydrophobicContact CB-CB 4.03Å; D161-K164 HydrophobicContact CB-CD 4.34Å; D161-K164 HydrophobicContact CB-CG 4.08Å; D161-K164 CarbonylContact O-C 3.58Å; D161-K164 WeakPolarHBondContact O-CA 3.38Å; D161-K164 PolarHBondContact O-N 3.05Å; D161-Q165 PolarHBondContact O-NE2 3.06Å
162	P	76.8	Confident	71.7	Confident	37 Å²	37	55.9 Å²	55.9	24%	0.24	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-28.7	173.1	-33.2	41.6	0	0	0	114.6	Q165 F255 F259 I405	P162-Q165 WeakPolarHBondContact O-CG 3.43Å; P162-F255 WeakPolarHBondContact O-CE1 3.4Å; P162-F255 VanDerWaalsContact O-CZ 3.23Å; P162-F255 WeakPolarHBondContact O-CZ 3.49Å; P162-F259 HydrophobicContact CB-CD2 3.79Å; P162-F259 HydrophobicContact CB-CE1 4.33Å; P162-F259 HydrophobicContact CB-CE2 3.25Å; P162-F259 HydrophobicContact CB-CZ 3.57Å; P162-F259 HydrophobicContact CG-CD2 4.41Å; P162-F259 HydrophobicContact CG-CE2 3.41Å; P162-F259 VanDerWaalsContact CG-CE2 3.41Å; P162-F259 HydrophobicContact CG-CZ 3.49Å; P162-F259 VanDerWaalsContact CG-CZ 3.49Å; P162-I405 HydrophobicContact CB-CD1 3.73Å; P162-I405 HydrophobicContact CG-CD1 4.3Å
163	L	77.7	Confident	74.7	Confident	39 Å²	39	48 Å²	48	20%	0.204	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9	175.8	-58.4	-174.9	0	0	0	114	D161 F255 I256 F259	D161-L163 PolarHBondContact O-N 2.85Å; D161-L163 VanDerWaalsContact O-N 3.08Å; D161-L163 WeakPolarHBondContact OD1-CB 3.48Å; D161-L163 PolarHBondContact OD1-N 3.32Å; L163-F255 HydrophobicContact CD2-CD1 3.98Å; L163-F255 HydrophobicContact CD2-CE1 3.6Å; L163-I256 HydrophobicContact CD1-CG1 4.46Å; L163-I256 HydrophobicContact CD2-CB 4.47Å; L163-I256 HydrophobicContact CD2-CG1 3.78Å; L163-F259 HydrophobicContact CD2-CD1 4.27Å; L163-F259 HydrophobicContact CD2-CG 4.43Å; L163-F259 HydrophobicContact CG-CD1 4.48Å
164	K	81.7	Confident	77.5	Confident	51 Å²	51	43.7 Å²	43.7	22%	0.222	25%	0.245	C	C	.	.	S	Bend	trans	-126	55.7	-176.1	-55.9	-172.1	174.7	-169.1	0	111.6	D161 L169 F487 G488	D161-K164 HydrophobicContact CB-CB 4.03Å; D161-K164 HydrophobicContact CB-CD 4.34Å; D161-K164 HydrophobicContact CB-CG 4.08Å; D161-K164 CarbonylContact O-C 3.58Å; D161-K164 WeakPolarHBondContact O-CA 3.38Å; D161-K164 PolarHBondContact O-N 3.05Å; K164-L169 HydrophobicContact CB-CD2 4.18Å; K164-L169 HydrophobicContact CB-CG 4.39Å; K164-L169 VanDerWaalsContact O-CD1 3.32Å; K164-L169 WeakPolarHBondContact O-CD1 3.2Å; K164-F487 PolarHBondContact NZ-O 2.95Å; K164-G488 PolarHBondContact NZ-O 2.75Å
165	Q	88.4	Confident	80.4	Confident	3 Å²	3	40.4 Å²	40.4	1%	0.014	22%	0.222	C	C	.	.			trans	-74.1	163.8	176.4	-65.2	-62.7	-58.8	0	0	111.2	D161 P162 W167 K168 L169 P268 G403 I405	D161-Q165 PolarHBondContact O-NE2 3.06Å; P162-Q165 WeakPolarHBondContact O-CG 3.43Å; Q165-W167 VanDerWaalsContact C-N 3.28Å; Q165-W167 PolarHBondContact O-N 2.84Å; Q165-W167 VanDerWaalsContact O-N 3.14Å; Q165-K168 WeakPolarHBondContact O-CA 3.37Å; Q165-K168 WeakPolarHBondContact O-CB 3.37Å; Q165-K168 PolarHBondContact O-N 3.01Å; Q165-L169 PolarHBondContact O-N 2.97Å; Q165-L169 VanDerWaalsContact O-N 3.08Å; Q165-P268 HydrophobicContact CG-CG 4.45Å; Q165-G403 PolarHBondContact NE2-O 2.87Å; Q165-I405 HydrophobicContact CG-CD1 4.24Å
166	P	90.9	Very high	83.1	Confident	4 Å²	4	35.4 Å²	35.4	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-55	-38.7	-171	-29.4	37.1	0	0	0	114.4	L160 K168 L169 L170 F272 F400 V404 I425	L160-P166 HydrophobicContact CD1-CG 3.92Å; P166-K168 PolarHBondContact O-N 3.18Å; P166-L169 PolarHBondContact O-N 2.86Å; P166-L170 WeakPolarHBondContact O-CB 3.21Å; P166-L170 PolarHBondContact O-N 2.71Å; P166-F272 HydrophobicContact CB-CE2 4.18Å; P166-F272 HydrophobicContact CB-CZ 4.1Å; P166-F400 HydrophobicContact CG-CB 4.21Å; P166-V404 HydrophobicContact CG-CG1 3.97Å; P166-V404 HydrophobicContact CG-CG2 3.79Å; P166-I425 HydrophobicContact CB-CD1 3.82Å; P166-I425 HydrophobicContact CB-CG1 4.32Å; P166-I425 HydrophobicContact CB-CG2 4.16Å; P166-I425 HydrophobicContact CG-CD1 3.57Å; P166-I425 HydrophobicContact CG-CG1 4.45Å
167	W	89.6	Confident	84.9	Confident	11 Å²	11	34.4 Å²	34.4	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-34.9	176.8	66.6	-93.9	0	0	0	112.3	Q165 Q171 A172 E173 W176 Y252 P269 F272	Q165-W167 VanDerWaalsContact C-N 3.28Å; Q165-W167 PolarHBondContact O-N 2.84Å; Q165-W167 VanDerWaalsContact O-N 3.14Å; W167-Q171 PolarHBondContact O-N 2.91Å; W167-A172 HydrophobicContact CB-CB 4.16Å; W167-A172 WeakPolarHBondContact O-CB 3.25Å; W167-A172 PolarHBondContact O-N 3.31Å; W167-E173 HydrophobicContact CZ3-CG 4.23Å; W167-E173 WeakPolarHBondContact CZ3-OE1 3.41Å; W167-W176 HydrophobicContact CB-CH2 4.07Å; W167-W176 HydrophobicContact CD2-CH2 4.22Å; W167-W176 AromaticContact CE3-CH2 3.79Å; W167-W176 HydrophobicContact CE3-CH2 3.79Å; W167-W176 AromaticContact CE3-CZ3 3.81Å; W167-W176 HydrophobicContact CE3-CZ3 3.81Å; W167-W176 HydrophobicContact CG-CH2 4.36Å; W167-W176 HydrophobicContact CZ3-CZ3 4.25Å; W167-Y252 AromaticContact CH2-CD2 3.68Å; W167-Y252 HydrophobicContact CH2-CD2 3.68Å; W167-Y252 AromaticContact CH2-CE2 3.93Å; W167-Y252 HydrophobicContact CH2-CE2 3.93Å; W167-Y252 HydrophobicContact CZ2-CD2 4.18Å; W167-Y252 HydrophobicContact CZ2-CE2 4.31Å; W167-P269 HydrophobicContact CH2-CG 3.86Å; W167-P269 HydrophobicContact CZ2-CG 3.61Å; W167-F272 HydrophobicContact CB-CE1 4.4Å; W167-F272 HydrophobicContact CB-CE2 4.03Å; W167-F272 HydrophobicContact CB-CZ 3.98Å
168	K	87.8	Confident	85.9	Confident	72 Å²	72	35.4 Å²	35.4	31%	0.313	18%	0.176	S	C	.	.	H	α-helix	trans	-77.5	-41.2	178.6	-173.4	63.5	-179.3	-179.1	0	111.6	Q165 P166 Q171 E173	Q165-K168 WeakPolarHBondContact O-CA 3.37Å; Q165-K168 WeakPolarHBondContact O-CB 3.37Å; Q165-K168 PolarHBondContact O-N 3.01Å; P166-K168 PolarHBondContact O-N 3.18Å; K168-Q171 PolarHBondContact O-N 2.99Å; K168-Q171 VanDerWaalsContact O-N 3.17Å; K168-E173 WeakPolarHBondContact CD-OE1 3.39Å; K168-E173 IonicContact NZ-OE1 3.69Å; K168-E173 PolarHBondContact NZ-OE1 3.2Å
169	L	90.1	Very high	86.5	Confident	44 Å²	44	32.7 Å²	32.7	23%	0.23	16%	0.163	C	C	.	.	H	α-helix	trans	-67.7	-36	179	-69.3	175.9	0	0	0	112.3	L160 K164 Q165 P166 Q171 F400 V486	L160-L169 HydrophobicContact CD2-CD1 3.55Å; K164-L169 HydrophobicContact CB-CD2 4.18Å; K164-L169 HydrophobicContact CB-CG 4.39Å; K164-L169 VanDerWaalsContact O-CD1 3.32Å; K164-L169 WeakPolarHBondContact O-CD1 3.2Å; Q165-L169 PolarHBondContact O-N 2.97Å; Q165-L169 VanDerWaalsContact O-N 3.08Å; P166-L169 PolarHBondContact O-N 2.86Å; L169-Q171 VanDerWaalsContact C-N 3.26Å; L169-F400 HydrophobicContact CB-CD2 4.04Å; L169-F400 HydrophobicContact CB-CE2 3.78Å; L169-F400 HydrophobicContact CB-CZ 4.5Å; L169-F400 HydrophobicContact CD1-CD1 3.98Å; L169-F400 HydrophobicContact CD1-CD2 3.69Å; L169-F400 HydrophobicContact CD1-CE1 3.98Å; L169-F400 HydrophobicContact CD1-CE2 3.69Å; L169-F400 HydrophobicContact CD1-CG 3.85Å; L169-F400 HydrophobicContact CD1-CZ 3.84Å; L169-F400 HydrophobicContact CG-CE2 4.32Å; L169-V486 HydrophobicContact CD2-CG1 4.33Å
170	L	91.6	Very high	87.1	Confident	13 Å²	13	30.4 Å²	30.4	7%	0.068	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.4	173.1	-69.1	-175.2	0	0	0	113.7	P166 A172 F272 I399 I425 V429 V511 L513	P166-L170 WeakPolarHBondContact O-CB 3.21Å; P166-L170 PolarHBondContact O-N 2.71Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 2.88Å; L170-F272 HydrophobicContact CB-CE1 4.01Å; L170-F272 HydrophobicContact CB-CZ 4.37Å; L170-F272 HydrophobicContact CD1-CE1 3.6Å; L170-F272 HydrophobicContact CD1-CZ 3.71Å; L170-F272 HydrophobicContact CG-CE1 4.38Å; L170-F272 HydrophobicContact CG-CZ 4.43Å; L170-I399 HydrophobicContact CD1-CD1 3.67Å; L170-I399 HydrophobicContact CD1-CG1 4.29Å; L170-I399 HydrophobicContact CD2-CD1 3.8Å; L170-I399 HydrophobicContact CG-CD1 3.93Å; L170-I425 HydrophobicContact CD1-CG2 4.36Å; L170-V429 HydrophobicContact CD1-CG2 3.75Å; L170-V511 HydrophobicContact CD1-CG1 4.44Å; L170-V511 HydrophobicContact CD2-CB 4.48Å; L170-V511 HydrophobicContact CD2-CG1 4.46Å; L170-V511 WeakPolarHBondContact CD2-O 3.02Å; L170-L513 HydrophobicContact CB-CB 4.32Å
171	Q	90.4	Very high	87.7	Confident	112 Å²	112	29.9 Å²	29.9	52%	0.523	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	45.5	-178.8	-56.2	176.6	-47.8	0	0	112.2	W167 K168 L169 E173 Y174	W167-Q171 PolarHBondContact O-N 2.91Å; K168-Q171 PolarHBondContact O-N 2.99Å; K168-Q171 VanDerWaalsContact O-N 3.17Å; L169-Q171 VanDerWaalsContact C-N 3.26Å; Q171-E173 WeakPolarHBondContact CA-OE2 3.04Å; Q171-E173 PolarHBondContact O-N 3.15Å; Q171-Y174 WeakPolarHBondContact O-CB 3.39Å; Q171-Y174 PolarHBondContact O-N 2.93Å
172	A	90.4	Very high	88.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.1	-23.6	-179.5	0	0	0	0	0	112.6	W167 L170 Y174 A175 W176 F272 L513	W167-A172 HydrophobicContact CB-CB 4.16Å; W167-A172 WeakPolarHBondContact O-CB 3.25Å; W167-A172 PolarHBondContact O-N 3.31Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 2.88Å; A172-Y174 PolarHBondContact O-N 3.12Å; A172-A175 WeakPolarHBondContact O-CB 3.22Å; A172-A175 PolarHBondContact O-N 3.14Å; A172-W176 HydrophobicContact CB-CD2 4.34Å; A172-W176 HydrophobicContact CB-CH2 3.76Å; A172-W176 HydrophobicContact CB-CZ2 3.52Å; A172-W176 HydrophobicContact CB-CZ3 4.25Å; A172-W176 PolarHBondContact O-N 3.18Å; A172-W176 VanDerWaalsContact O-N 3.07Å; A172-F272 HydrophobicContact CB-CD1 3.98Å; A172-F272 HydrophobicContact CB-CE1 4.02Å; A172-L513 HydrophobicContact CB-CD2 4.18Å
173	E	87.6	Confident	89.2	Confident	36 Å²	36	28.4 Å²	28.4	17%	0.168	14%	0.135	C	C	.	.	H	α-helix	trans	-56.1	-29.7	172	-55.8	100.7	128.7	0	0	113.2	W167 K168 Q171 W176 S177 T1075	W167-E173 HydrophobicContact CZ3-CG 4.23Å; W167-E173 WeakPolarHBondContact CZ3-OE1 3.41Å; K168-E173 WeakPolarHBondContact CD-OE1 3.39Å; K168-E173 IonicContact NZ-OE1 3.69Å; K168-E173 PolarHBondContact NZ-OE1 3.2Å; Q171-E173 WeakPolarHBondContact CA-OE2 3.04Å; Q171-E173 PolarHBondContact O-N 3.15Å; E173-W176 HydrophobicContact CB-CE3 4.26Å; E173-W176 HydrophobicContact CG-CE3 3.93Å; E173-W176 HydrophobicContact CG-CZ3 3.91Å; E173-W176 PolarHBondContact O-N 3.28Å; E173-S177 VanDerWaalsContact O-CB 3.27Å; E173-S177 WeakPolarHBondContact O-CB 3.37Å; E173-S177 PolarHBondContact O-N 3.42Å; E173-S177 PolarHBondContact O-OG 3.32Å; E173-T1075 HydrophobicContact CB-CG2 4.1Å
174	Y	88.3	Confident	89.8	Confident	51 Å²	51	27.6 Å²	27.6	20%	0.2	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-46.1	173.1	177.1	-105.4	0	0	0	111.4	Q171 A172 S177 R178 Q514 L517 E518	Q171-Y174 WeakPolarHBondContact O-CB 3.39Å; Q171-Y174 PolarHBondContact O-N 2.93Å; A172-Y174 PolarHBondContact O-N 3.12Å; Y174-S177 PolarHBondContact O-OG 2.67Å; Y174-R178 PolarHBondContact OH-NH1 2.9Å; Y174-R178 VanDerWaalsContact OH-NH1 3.1Å; Y174-R178 PolarHBondContact OH-NH2 2.79Å; Y174-Q514 HydrophobicContact CD1-CB 4.25Å; Y174-Q514 HydrophobicContact CD1-CG 4.14Å; Y174-Q514 HydrophobicContact CE1-CB 4.15Å; Y174-Q514 HydrophobicContact CE1-CG 3.62Å; Y174-L517 HydrophobicContact CD1-CD1 4.01Å; Y174-L517 HydrophobicContact CE1-CD1 4.22Å; Y174-E518 PolarHBondContact OH-OE1 3.47Å; Y174-E518 VanDerWaalsContact OH-OE1 3.12Å
175	A	91.4	Very high	90.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-46.9	176.5	0	0	0	0	0	111.2	A172 S177 R178 L180 L432 L513 L517	A172-A175 WeakPolarHBondContact O-CB 3.22Å; A172-A175 PolarHBondContact O-N 3.14Å; A175-S177 VanDerWaalsContact C-N 3.34Å; A175-S177 PolarHBondContact O-N 3.09Å; A175-R178 WeakPolarHBondContact O-CA 3.45Å; A175-R178 WeakPolarHBondContact O-CB 3.46Å; A175-R178 PolarHBondContact O-N 2.93Å; A175-L180 HydrophobicContact CB-CB 4.21Å; A175-L180 HydrophobicContact CB-CD1 4.47Å; A175-L180 WeakPolarHBondContact O-CB 3.27Å; A175-L180 PolarHBondContact O-N 3.16Å; A175-L180 VanDerWaalsContact O-N 3.13Å; A175-L432 HydrophobicContact CB-CD1 3.96Å; A175-L432 HydrophobicContact CB-CD2 4.41Å; A175-L513 HydrophobicContact CB-CD2 4.47Å; A175-L517 HydrophobicContact CB-CD1 3.84Å
176	W	91.5	Very high	91.1	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-37.9	-178.3	-57	-27.9	0	0	0	112.8	W167 A172 E173 R178 G179 W270 G271 F272 C1078	W167-W176 HydrophobicContact CB-CH2 4.07Å; W167-W176 HydrophobicContact CD2-CH2 4.22Å; W167-W176 AromaticContact CE3-CH2 3.79Å; W167-W176 HydrophobicContact CE3-CH2 3.79Å; W167-W176 AromaticContact CE3-CZ3 3.81Å; W167-W176 HydrophobicContact CE3-CZ3 3.81Å; W167-W176 HydrophobicContact CG-CH2 4.36Å; W167-W176 HydrophobicContact CZ3-CZ3 4.25Å; A172-W176 HydrophobicContact CB-CD2 4.34Å; A172-W176 HydrophobicContact CB-CH2 3.76Å; A172-W176 HydrophobicContact CB-CZ2 3.52Å; A172-W176 HydrophobicContact CB-CZ3 4.25Å; A172-W176 PolarHBondContact O-N 3.18Å; A172-W176 VanDerWaalsContact O-N 3.07Å; E173-W176 HydrophobicContact CB-CE3 4.26Å; E173-W176 HydrophobicContact CG-CE3 3.93Å; E173-W176 HydrophobicContact CG-CZ3 3.91Å; E173-W176 PolarHBondContact O-N 3.28Å; W176-R178 PolarHBondContact O-N 3.4Å; W176-R178 VanDerWaalsContact O-N 3.16Å; W176-G179 PolarHBondContact O-N 3.35Å; W176-W270 HydrophobicContact CE3-CE3 4.07Å; W176-W270 HydrophobicContact CH2-CB 4.21Å; W176-W270 AromaticContact CH2-CE3 3.92Å; W176-W270 HydrophobicContact CH2-CE3 3.92Å; W176-W270 HydrophobicContact CZ2-CB 4.35Å; W176-W270 AromaticContact CZ3-CE3 3.48Å; W176-W270 HydrophobicContact CZ3-CE3 3.48Å; W176-W270 VanDerWaalsContact CZ3-CE3 3.48Å; W176-W270 HydrophobicContact CZ3-CZ3 4.05Å; W176-G271 WeakPolarHBondContact CZ2-O 3.5Å; W176-F272 PolarHBondContact NE1-O 3.03Å; W176-C1078 HydrophobicContact CB-CB 4.48Å; W176-C1078 VanDerWaalsContact CB-SG 3.59Å
177	S	87.3	Confident	91.4	Very high	21 Å²	21	26.6 Å²	26.6	15%	0.147	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-17.8	174.7	73.8	0	0	0	0	113.5	E173 Y174 A175 Y1073	E173-S177 VanDerWaalsContact O-CB 3.27Å; E173-S177 WeakPolarHBondContact O-CB 3.37Å; E173-S177 PolarHBondContact O-N 3.42Å; E173-S177 PolarHBondContact O-OG 3.32Å; Y174-S177 PolarHBondContact O-OG 2.67Å; A175-S177 VanDerWaalsContact C-N 3.34Å; A175-S177 PolarHBondContact O-N 3.09Å; S177-Y1073 WeakPolarHBondContact O-CA 3.14Å; S177-Y1073 PolarHBondContact O-N 3.46Å
178	R	86.5	Confident	91.8	Very high	58 Å²	58	26.1 Å²	26.1	22%	0.219	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	9.4	173.8	-65.5	179.7	170.8	-174.9	-0.2	113	Y174 A175 W176 L180	Y174-R178 PolarHBondContact OH-NH1 2.9Å; Y174-R178 VanDerWaalsContact OH-NH1 3.1Å; Y174-R178 PolarHBondContact OH-NH2 2.79Å; A175-R178 WeakPolarHBondContact O-CA 3.45Å; A175-R178 WeakPolarHBondContact O-CB 3.46Å; A175-R178 PolarHBondContact O-N 2.93Å; W176-R178 PolarHBondContact O-N 3.4Å; W176-R178 VanDerWaalsContact O-N 3.16Å; R178-L180 HydrophobicContact CB-CD1 4.38Å; R178-L180 HydrophobicContact CB-CG 4.25Å; R178-L180 PolarHBondContact O-N 2.89Å
179	G	88.4	Confident	92.3	Very high	6 Å²	6	22.7 Å²	22.7	6%	0.062	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	15.9	-177.6	0	0	0	0	0	114.4	W176 C181	W176-G179 PolarHBondContact O-N 3.35Å; G179-C181 PolarHBondContact O-N 2.88Å
180	L	92.1	Very high	92.5	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.031	10%	0.103	C	C	.	.			trans	-86	101.6	175.2	-56.7	174	0	0	0	108.4	A175 R178 L432 N435 A436 N439 L517	A175-L180 HydrophobicContact CB-CB 4.21Å; A175-L180 HydrophobicContact CB-CD1 4.47Å; A175-L180 WeakPolarHBondContact O-CB 3.27Å; A175-L180 PolarHBondContact O-N 3.16Å; A175-L180 VanDerWaalsContact O-N 3.13Å; R178-L180 HydrophobicContact CB-CD1 4.38Å; R178-L180 HydrophobicContact CB-CG 4.25Å; R178-L180 PolarHBondContact O-N 2.89Å; L180-L432 HydrophobicContact CB-CD2 4.37Å; L180-L432 WeakPolarHBondContact O-CD2 3.29Å; L180-N435 WeakPolarHBondContact CA-OD1 3.46Å; L180-A436 HydrophobicContact CD1-CB 3.76Å; L180-A436 HydrophobicContact CD2-CB 3.95Å; L180-A436 HydrophobicContact CG-CB 4.49Å; L180-N439 WeakPolarHBondContact CD2-ND2 3.4Å; L180-L517 HydrophobicContact CD1-CD1 4.45Å; L180-L517 HydrophobicContact CD1-CD2 3.67Å
181	C	93.7	Very high	92.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-122.7	6.7	-176.2	-42.8	0	0	0	0	112.3	G179 A273 P274 R275 N435 C1078	G179-C181 PolarHBondContact O-N 2.88Å; C181-A273 CarbonylContact O-C 3.56Å; C181-A273 WeakPolarHBondContact O-CA 3.43Å; C181-P274 HydrophobicContact CB-CG 4.32Å; C181-P274 WeakPolarHBondContact O-CD 3.44Å; C181-R275 HydrophobicContact CB-CB 3.9Å; C181-R275 HydrophobicContact CB-CG 3.92Å; C181-R275 WeakPolarHBondContact O-CA 3.05Å; C181-R275 PolarHBondContact O-N 3.5Å; C181-N435 PolarHBondContact N-OD1 3.19Å; C181-N435 VanDerWaalsContact N-OD1 3.12Å; C181-C1078 HydrophobicContact CB-CB 3.83Å; C181-C1078 WeakPolarHBondContact CB-SG 3.46Å; C181-C1078 WeakPolarHBondContact SG-CA 3.08Å; C181-C1078 WeakPolarHBondContact SG-CB 3.36Å; C181-C1078 CovalentContact SG-SG 2.03Å; C181-C1078 PolarHBondContact SG-SG 2.87Å
182	G	95	Very high	92.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.			trans	91.3	5.4	-173.7	0	0	0	0	0	114.5	G184 V185 R275 A276 N435	G182-G184 PolarHBondContact O-N 2.81Å; G182-V185 WeakPolarHBondContact O-CB 3.36Å; G182-V185 WeakPolarHBondContact O-CG2 3.36Å; G182-V185 PolarHBondContact O-N 2.84Å; G182-R275 CarbonylContact C-O 3.59Å; G182-A276 VanDerWaalsContact O-CA 3.31Å; G182-A276 WeakPolarHBondContact O-CA 3.49Å; G182-N435 PolarHBondContact N-OD1 2.66Å
183	N	92.8	Very high	92.4	Very high	69 Å²	69	15 Å²	15	37%	0.369	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	131.1	-177.6	-74	91.7	0	0	0	112.6	V185 R275 N435	N183-V185 PolarHBondContact O-N 2.94Å; N183-R275 WeakPolarHBondContact CA-O 3.4Å; N183-R275 PolarHBondContact N-O 3.02Å; N183-R275 WeakPolarHBondContact ND2-CD 3.43Å; N183-R275 WeakPolarHBondContact OD1-CB 3.2Å; N183-R275 VanDerWaalsContact OD1-CD 3.31Å; N183-R275 WeakPolarHBondContact OD1-CD 3.29Å; N183-N435 PolarHBondContact N-OD1 2.65Å; N183-N435 PolarHBondContact O-ND2 3.31Å
184	G	91.1	Very high	92.6	Very high	21 Å²	21	13.3 Å²	13.3	22%	0.216	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.3	178.9	0	0	0	0	0	114.5	G182 H308	G182-G184 PolarHBondContact O-N 2.81Å; G184-H308 PolarHBondContact O-CE1 3.21Å; G184-H308 VanDerWaalsContact O-CE1 3.3Å
185	V	98	Very high	92.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.			trans	-93.7	108.7	175.2	-173.1	0	0	0	0	109.8	G182 N183 V187 D277 H308 S431 I434 N435 L438	G182-V185 WeakPolarHBondContact O-CB 3.36Å; G182-V185 WeakPolarHBondContact O-CG2 3.36Å; G182-V185 PolarHBondContact O-N 2.84Å; N183-V185 PolarHBondContact O-N 2.94Å; V185-V187 HydrophobicContact CG1-CG2 4.13Å; V185-V187 PolarHBondContact O-N 2.7Å; V185-D277 PolarHBondContact O-N 2.87Å; V185-H308 HydrophobicContact CG1-CB 4.24Å; V185-S431 WeakPolarHBondContact CG2-O 3.47Å; V185-I434 HydrophobicContact CB-CG2 4.39Å; V185-I434 HydrophobicContact CG1-CB 4.13Å; V185-I434 HydrophobicContact CG1-CD1 4.13Å; V185-I434 HydrophobicContact CG1-CG2 3.92Å; V185-I434 HydrophobicContact CG2-CB 3.96Å; V185-I434 HydrophobicContact CG2-CG2 3.63Å; V185-N435 HydrophobicContact CG2-CB 3.86Å; V185-L438 HydrophobicContact CG2-CD1 4.47Å
186	R	98.2	Very high	92.5	Very high	38 Å²	38	13.5 Å²	13.5	14%	0.143	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	112.5	170.6	-60.1	-175.1	-66.5	-68.1	-7	111.6	D277 F279 R305 K306 L307 H308 V309	R186-D277 CarbonylContact C-O 3.35Å; R186-D277 WeakPolarHBondContact CA-O 3.31Å; R186-D277 HydrophobicContact CG-CB 4.18Å; R186-F279 HydrophobicContact CB-CD2 4.24Å; R186-F279 HydrophobicContact CB-CE2 3.77Å; R186-F279 HydrophobicContact CG-CE2 3.73Å; R186-F279 HydrophobicContact CG-CZ 4.3Å; R186-R305 PolarHBondContact NE-O 3.35Å; R186-R305 VanDerWaalsContact NE-O 3.15Å; R186-K306 PolarHBondContact NE-O 3.48Å; R186-K306 PolarHBondContact NH2-O 3.11Å; R186-L307 HydrophobicContact CB-CD2 3.92Å; R186-H308 PolarHBondContact N-ND1 3.08Å; R186-H308 PolarHBondContact NH1-CE1 3.43Å; R186-H308 VanDerWaalsContact NH1-CE1 3.3Å; R186-H308 PolarHBondContact NH2-CE1 3.43Å; R186-H308 VanDerWaalsContact NH2-CE1 3.35Å; R186-H308 PolarHBondContact NH2-NE2 2.77Å; R186-H308 PolarHBondContact O-N 3.01Å; R186-V309 PolarHBondContact O-N 2.65Å
187	V	98.6	Very high	92	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.1	-179.1	-178.7	0	0	0	0	109.4	V185 I189 I243 A276 D277 L278 F279 V309 T427 S431	V185-V187 HydrophobicContact CG1-CG2 4.13Å; V185-V187 PolarHBondContact O-N 2.7Å; V187-I189 HydrophobicContact CB-CD1 4.43Å; V187-I189 HydrophobicContact CG1-CD1 3.87Å; V187-I189 HydrophobicContact CG1-CG1 4.28Å; V187-I243 HydrophobicContact CG1-CD1 4.45Å; V187-I243 HydrophobicContact CG1-CG2 4.31Å; V187-A276 HydrophobicContact CG2-CB 3.77Å; V187-D277 PolarHBondContact N-O 3.2Å; V187-L278 HydrophobicContact CB-CD2 4.39Å; V187-F279 PolarHBondContact O-N 2.78Å; V187-V309 WeakPolarHBondContact CA-O 3.33Å; V187-V309 HydrophobicContact CB-CG1 4.25Å; V187-V309 HydrophobicContact CG1-CG1 4.14Å; V187-V309 HydrophobicContact CG2-CG1 3.77Å; V187-T427 HydrophobicContact CG1-CG2 3.7Å; V187-S431 VanDerWaalsContact CG2-OG 3.22Å; V187-S431 WeakPolarHBondContact CG2-OG 3.47Å
188	G	98.1	Very high	91.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.6	169.8	0	0	0	0	0	111.2	F279 V309 I310 N311	G188-F279 WeakPolarHBondContact CA-O 3.35Å; G188-V309 PolarHBondContact N-O 2.87Å; G188-I310 CarbonylContact O-C 3.47Å; G188-I310 WeakPolarHBondContact O-CA 3.47Å; G188-N311 PolarHBondContact O-N 3.25Å
189	I	97.3	Very high	91.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.2	173.6	-58.6	92.5	0	0	0	107.9	V187 D191 V239 I243 L278 F279 I280 F281	V187-I189 HydrophobicContact CB-CD1 4.43Å; V187-I189 HydrophobicContact CG1-CD1 3.87Å; V187-I189 HydrophobicContact CG1-CG1 4.28Å; I189-D191 HydrophobicContact CG2-CB 4.2Å; I189-V239 HydrophobicContact CG2-CG1 4.06Å; I189-I243 HydrophobicContact CG1-CD1 3.85Å; I189-L278 HydrophobicContact CD1-CB 4.3Å; I189-L278 HydrophobicContact CD1-CD2 3.9Å; I189-F279 PolarHBondContact N-O 3.17Å; I189-I280 HydrophobicContact CB-CD1 4.24Å; I189-I280 HydrophobicContact CD1-CD1 3.86Å; I189-I280 HydrophobicContact CG1-CD1 4.49Å; I189-F281 PolarHBondContact O-N 3.43Å
190	F	94.9	Very high	91.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	100.6	-179.9	-76.9	-123	0	0	0	108.6	F281 V283 F295 A298 F299 A302 I310 N311 L312	F190-F281 WeakPolarHBondContact CA-O 3.3Å; F190-F281 HydrophobicContact CD1-CB 4.13Å; F190-F281 HydrophobicContact CD1-CG 4.49Å; F190-F281 HydrophobicContact CD2-CB 3.87Å; F190-F281 AromaticContact CD2-CD2 3.75Å; F190-F281 HydrophobicContact CD2-CD2 3.75Å; F190-F281 HydrophobicContact CD2-CE2 4.44Å; F190-F281 AromaticContact CD2-CG 3.85Å; F190-F281 HydrophobicContact CD2-CG 3.85Å; F190-F281 HydrophobicContact CE1-CB 4.32Å; F190-F281 HydrophobicContact CE1-CD1 4.14Å; F190-F281 HydrophobicContact CE1-CG 4.23Å; F190-F281 HydrophobicContact CE2-CB 4.05Å; F190-F281 AromaticContact CE2-CD1 3.93Å; F190-F281 HydrophobicContact CE2-CD1 3.93Å; F190-F281 AromaticContact CE2-CD2 3.39Å; F190-F281 HydrophobicContact CE2-CD2 3.39Å; F190-F281 HydrophobicContact CE2-CE1 4.15Å; F190-F281 AromaticContact CE2-CE2 3.69Å; F190-F281 HydrophobicContact CE2-CE2 3.69Å; F190-F281 AromaticContact CE2-CG 3.54Å; F190-F281 HydrophobicContact CE2-CG 3.54Å; F190-F281 HydrophobicContact CE2-CZ 4.08Å; F190-F281 HydrophobicContact CG-CB 3.91Å; F190-F281 HydrophobicContact CG-CG 4.32Å; F190-F281 HydrophobicContact CZ-CB 4.26Å; F190-F281 AromaticContact CZ-CD1 3.66Å; F190-F281 HydrophobicContact CZ-CD1 3.66Å; F190-F281 HydrophobicContact CZ-CD2 4.02Å; F190-F281 AromaticContact CZ-CE1 3.86Å; F190-F281 HydrophobicContact CZ-CE1 3.86Å; F190-F281 HydrophobicContact CZ-CE2 4.24Å; F190-F281 AromaticContact CZ-CG 3.74Å; F190-F281 HydrophobicContact CZ-CG 3.74Å; F190-F281 HydrophobicContact CZ-CZ 4.18Å; F190-V283 HydrophobicContact CB-CG2 4.08Å; F190-V283 HydrophobicContact CD1-CG1 4.05Å; F190-V283 HydrophobicContact CD1-CG2 4.26Å; F190-F295 HydrophobicContact CB-CE1 4.45Å; F190-F295 HydrophobicContact CD1-CD1 4.08Å; F190-F295 AromaticContact CD1-CE1 3.97Å; F190-F295 HydrophobicContact CD1-CE1 3.97Å; F190-A298 HydrophobicContact CD1-CB 4.17Å; F190-A298 HydrophobicContact CE1-CB 3.36Å; F190-A298 HydrophobicContact CZ-CB 3.97Å; F190-F299 HydrophobicContact CD1-CD1 4.2Å; F190-F299 AromaticContact CD1-CE1 3.81Å; F190-F299 HydrophobicContact CD1-CE1 3.81Å; F190-F299 AromaticContact CE1-CD1 3.32Å; F190-F299 HydrophobicContact CE1-CD1 3.32Å; F190-F299 AromaticContact CE1-CE1 3.4Å; F190-F299 HydrophobicContact CE1-CE1 3.4Å; F190-F299 VanDerWaalsContact CE1-CE1 3.4Å; F190-F299 HydrophobicContact CE1-CG 4.38Å; F190-F299 AromaticContact CZ-CD1 3.59Å; F190-F299 HydrophobicContact CZ-CD1 3.59Å; F190-F299 AromaticContact CZ-CE1 3.89Å; F190-F299 HydrophobicContact CZ-CE1 3.89Å; F190-A302 HydrophobicContact CE2-CB 4.47Å; F190-A302 HydrophobicContact CZ-CB 4.14Å; F190-I310 HydrophobicContact CD2-CG2 3.43Å; F190-I310 VanDerWaalsContact CD2-CG2 3.43Å; F190-I310 HydrophobicContact CE2-CB 4.49Å; F190-I310 HydrophobicContact CE2-CD1 3.91Å; F190-I310 HydrophobicContact CE2-CG1 4Å; F190-I310 HydrophobicContact CE2-CG2 3.69Å; F190-I310 HydrophobicContact CG-CG2 4.1Å; F190-I310 HydrophobicContact CZ-CD1 4.16Å; F190-N311 PolarHBondContact N-O 3.25Å; F190-L312 HydrophobicContact CB-CD1 3.95Å
191	D	91.4	Very high	91.4	Very high	5 Å²	5	23 Å²	23	3%	0.027	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	-159.5	-170.8	-144.1	-64.7	0	0	0	111.4	I189 G193 H235 G236 F281 R282 V283 F284	I189-D191 HydrophobicContact CG2-CB 4.2Å; D191-G193 PolarHBondContact O-N 2.98Å; D191-H235 IonicContact OD1-CE1 3.23Å; D191-H235 IonicContact OD1-CG 2.68Å; D191-H235 IonicContact OD1-ND1 3.34Å; D191-H235 PolarHBondContact OD1-ND1 2.87Å; D191-H235 IonicContact OD2-CE1 2.75Å; D191-H235 PolarHBondContact OD2-CE1 3.12Å; D191-H235 IonicContact OD2-ND1 3.77Å; D191-H235 PolarHBondContact OD2-ND1 2.61Å; D191-G236 VanDerWaalsContact CG-CA 3.44Å; D191-G236 WeakPolarHBondContact OD1-CA 3.29Å; D191-G236 PolarHBondContact OD1-N 3.23Å; D191-F281 PolarHBondContact N-O 3.03Å; D191-R282 VanDerWaalsContact O-CA 3.32Å; D191-R282 WeakPolarHBondContact O-CA 3.46Å; D191-V283 PolarHBondContact O-N 2.96Å; D191-V283 VanDerWaalsContact O-N 3.12Å; D191-F284 VanDerWaalsContact C-CD2 3.5Å
192	T	87.7	Confident	91.2	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	13%	0.129	C	C	.	.	S	Bend	trans	-75	5.9	-179.1	58.3	0	0	0	0	114.6	D231 H233 G236 R282 F284	T192-D231 WeakPolarHBondContact CB-OD1 3.32Å; T192-D231 WeakPolarHBondContact O-CA 3.46Å; T192-D231 VanDerWaalsContact OG1-CG 3.3Å; T192-D231 PolarHBondContact OG1-OD1 2.71Å; T192-H233 HydrophobicContact CG2-CB 3.85Å; T192-G236 PolarHBondContact OG1-N 2.99Å; T192-R282 PolarHBondContact O-NH1 2.68Å; T192-F284 HydrophobicContact CG2-CB 3.8Å
193	G	90.2	Very high	90.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.			trans	109.2	-160	-177	0	0	0	0	0	112.7	D191 A229 G236	D191-G193 PolarHBondContact O-N 2.98Å; G193-A229 VanDerWaalsContact CA-O 3.25Å; G193-A229 WeakPolarHBondContact CA-O 3.3Å; G193-G236 CarbonylContact O-C 3.52Å; G193-G236 VanDerWaalsContact O-CA 3.29Å; G193-G236 WeakPolarHBondContact O-CA 3.36Å
194	L	92.3	Very high	90	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-131.3	152.5	173.9	-177.6	62	0	0	0	110.9	F202 I207 R210 A229 L230 D231 T240 I280	L194-F202 HydrophobicContact CD1-CD2 3.94Å; L194-F202 HydrophobicContact CD1-CE1 4.4Å; L194-F202 HydrophobicContact CD1-CE2 3.64Å; L194-F202 HydrophobicContact CD1-CG 4.46Å; L194-F202 HydrophobicContact CD1-CZ 3.88Å; L194-I207 HydrophobicContact CD2-CD1 3.63Å; L194-I207 HydrophobicContact CD2-CG1 4.06Å; L194-R210 VanDerWaalsContact C-NH2 3.35Å; L194-R210 PolarHBondContact O-NH2 3Å; L194-A229 PolarHBondContact N-O 3.4Å; L194-A229 VanDerWaalsContact N-O 3.08Å; L194-L230 CarbonylContact O-C 3.49Å; L194-L230 WeakPolarHBondContact O-CA 3.38Å; L194-D231 VanDerWaalsContact C-CB 3.46Å; L194-D231 PolarHBondContact O-N 2.87Å; L194-T240 HydrophobicContact CD1-CG2 3.78Å; L194-T240 HydrophobicContact CD2-CG2 4.49Å; L194-I280 HydrophobicContact CB-CD1 4.31Å; L194-I280 HydrophobicContact CB-CG1 4.04Å; L194-I280 HydrophobicContact CB-CG2 3.86Å; L194-I280 HydrophobicContact CD2-CD1 3.96Å; L194-I280 HydrophobicContact CD2-CG1 3.85Å
195	A	91	Very high	89.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.			trans	-52.3	160.4	169.9	0	0	0	0	0	112.4	H199 R210 T237 L409	A195-H199 HydrophobicContact CB-CB 3.82Å; A195-H199 VanDerWaalsContact CB-CD2 3.43Å; A195-H199 WeakPolarHBondContact CB-CD2 3.17Å; A195-R210 PolarHBondContact O-NH1 3.17Å; A195-R210 PolarHBondContact O-NH2 2.77Å; A195-T237 HydrophobicContact CB-CG2 3.72Å; A195-T237 PolarHBondContact N-OG1 2.63Å; A195-L409 HydrophobicContact CB-CD2 4.25Å
196	P	87.1	Confident	89.1	Confident	55 Å²	55	31.3 Å²	31.3	36%	0.357	17%	0.174	S	C	.	.			trans	-51.8	155	177.2	-29	36.8	0	0	0	113.6	D198 H199 L230	P196-D198 VanDerWaalsContact CB-OD1 3.27Å; P196-D198 WeakPolarHBondContact CB-OD1 3.36Å; P196-D198 PolarHBondContact O-N 3.44Å; P196-D198 VanDerWaalsContact O-N 3.14Å; P196-H199 WeakPolarHBondContact O-CB 3.25Å; P196-H199 PolarHBondContact O-N 3.28Å; P196-L230 HydrophobicContact CB-CD2 4.24Å; P196-L230 HydrophobicContact CG-CD2 3.98Å
197	S	80.9	Confident	88.8	Confident	34 Å²	34	30.6 Å²	30.6	24%	0.238	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.6	-172.6	-71.6	0	0	0	0	115	H199 L204 R210	S197-H199 VanDerWaalsContact C-N 3.31Å; S197-L204 VanDerWaalsContact CB-CD2 3.5Å; S197-L204 WeakPolarHBondContact O-CG 3.39Å; S197-R210 PolarHBondContact OG-NH1 3.25Å
198	D	81.9	Confident	88.5	Confident	139 Å²	139	34.1 Å²	34.1	74%	0.743	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	1.5	174.8	66.1	-25.8	0	0	0	113.4	P196 K200	P196-D198 VanDerWaalsContact CB-OD1 3.27Å; P196-D198 WeakPolarHBondContact CB-OD1 3.36Å; P196-D198 PolarHBondContact O-N 3.44Å; P196-D198 VanDerWaalsContact O-N 3.14Å; D198-K200 PolarHBondContact O-N 3.12Å; D198-K200 VanDerWaalsContact O-N 3.1Å
199	H	87.1	Confident	88.1	Confident	13 Å²	13	36.1 Å²	36.1	6%	0.06	20%	0.2	C	C	.	.			trans	-61.4	114.1	178.7	-173.4	-79.4	0	0	0	111.6	A195 P196 S197 H201 F202 N408 G411	A195-H199 HydrophobicContact CB-CB 3.82Å; A195-H199 VanDerWaalsContact CB-CD2 3.43Å; A195-H199 WeakPolarHBondContact CB-CD2 3.17Å; P196-H199 WeakPolarHBondContact O-CB 3.25Å; P196-H199 PolarHBondContact O-N 3.28Å; S197-H199 VanDerWaalsContact C-N 3.31Å; H199-H201 AromaticContact CE1-CG 3.63Å; H199-H201 AromaticContact CE1-ND1 3.46Å; H199-H201 PolarHBondContact CE1-ND1 3.48Å; H199-H201 PolarHBondContact ND1-N 3.29Å; H199-H201 PolarHBondContact O-N 3.1Å; H199-F202 HydrophobicContact CB-CD2 4.25Å; H199-F202 AromaticContact CE1-CE2 3.82Å; H199-F202 AromaticContact ND1-CD2 3.37Å; H199-F202 WeakPolarHBondContact ND1-CD2 3.42Å; H199-F202 AromaticContact ND1-CE2 3.49Å; H199-F202 WeakPolarHBondContact ND1-CE2 3.41Å; H199-F202 PolarHBondContact O-N 3.13Å; H199-N408 PolarHBondContact NE2-O 3.42Å; H199-G411 WeakPolarHBondContact NE2-CA 3.24Å
200	K	84.5	Confident	87.7	Confident	102 Å²	102	37.8 Å²	37.8	44%	0.443	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-15	-169.2	71.7	-178.3	-174.1	-161	0	117.1	D198 G411	D198-K200 PolarHBondContact O-N 3.12Å; D198-K200 VanDerWaalsContact O-N 3.1Å; K200-G411 WeakPolarHBondContact CE-O 3.5Å; K200-G411 PolarHBondContact NZ-O 2.77Å
201	H	87.9	Confident	87.4	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.009	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.4	176.6	-60.4	162.7	0	0	0	113.9	H199 A245 Q246 C267 S407 G411 K412	H199-H201 AromaticContact CE1-CG 3.63Å; H199-H201 AromaticContact CE1-ND1 3.46Å; H199-H201 PolarHBondContact CE1-ND1 3.48Å; H199-H201 PolarHBondContact ND1-N 3.29Å; H199-H201 PolarHBondContact O-N 3.1Å; H201-A245 HydrophobicContact CB-CB 4.26Å; H201-A245 CarbonylContact O-C 3.54Å; H201-A245 WeakPolarHBondContact O-CA 3.29Å; H201-Q246 PolarHBondContact O-N 3.18Å; H201-C267 PolarHBondContact CE1-SG 3.37Å; H201-S407 WeakPolarHBondContact ND1-CB 3.44Å; H201-S407 PolarHBondContact ND1-OG 2.74Å; H201-G411 PolarHBondContact CE1-O 3.19Å; H201-G411 VanDerWaalsContact CE1-O 3.32Å; H201-G411 PolarHBondContact NE2-O 3.21Å; H201-K412 PolarHBondContact CE1-O 3.43Å
202	F	88.9	Confident	87.1	Confident	16 Å²	16	39 Å²	39	7%	0.07	21%	0.213	C	C	.	.	S	Bend	trans	-121.2	133.1	-175.5	-55.8	-68	0	0	0	110.3	L194 H199 I207 T237 T240	L194-F202 HydrophobicContact CD1-CD2 3.94Å; L194-F202 HydrophobicContact CD1-CE1 4.4Å; L194-F202 HydrophobicContact CD1-CE2 3.64Å; L194-F202 HydrophobicContact CD1-CG 4.46Å; L194-F202 HydrophobicContact CD1-CZ 3.88Å; H199-F202 HydrophobicContact CB-CD2 4.25Å; H199-F202 AromaticContact CE1-CE2 3.82Å; H199-F202 AromaticContact ND1-CD2 3.37Å; H199-F202 WeakPolarHBondContact ND1-CD2 3.42Å; H199-F202 AromaticContact ND1-CE2 3.49Å; H199-F202 WeakPolarHBondContact ND1-CE2 3.41Å; H199-F202 PolarHBondContact O-N 3.13Å; F202-I207 HydrophobicContact CB-CD1 4.09Å; F202-T237 HydrophobicContact CE2-CG2 3.95Å; F202-T237 HydrophobicContact CZ-CG2 4.36Å; F202-T240 HydrophobicContact CD1-CG2 4.18Å; F202-T240 HydrophobicContact CE1-CG2 3.68Å; F202-T240 HydrophobicContact CZ-CG2 4.19Å
203	S	83.5	Confident	87	Confident	37 Å²	37	39.5 Å²	39.5	26%	0.259	21%	0.214	S	C	.	.			trans	-84	123.7	171.9	179.8	0	0	0	0	110.1	S205 N206 I207	S203-S205 PolarHBondContact O-N 3.43Å; S203-S205 VanDerWaalsContact O-N 3.1Å; S203-S205 PolarHBondContact OG-N 3.25Å; S203-S205 PolarHBondContact OG-OG 3.32Å; S203-N206 PolarHBondContact O-N 2.97Å; S203-I207 PolarHBondContact O-N 3.05Å
204	L	79.9	Confident	86.5	Confident	107 Å²	107	40.6 Å²	40.6	56%	0.56	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-33.1	170.5	-83.8	163.7	0	0	0	113.4	S197 N206 I207	S197-L204 VanDerWaalsContact CB-CD2 3.5Å; S197-L204 WeakPolarHBondContact O-CG 3.39Å; L204-N206 PolarHBondContact O-N 3.39Å; L204-I207 PolarHBondContact O-N 3Å
205	S	81.9	Confident	85.6	Confident	87 Å²	87	43.7 Å²	43.7	61%	0.608	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.2	-179.7	66.3	0	0	0	0	114.2	S203	S203-S205 PolarHBondContact O-N 3.43Å; S203-S205 VanDerWaalsContact O-N 3.1Å; S203-S205 PolarHBondContact OG-N 3.25Å; S203-S205 PolarHBondContact OG-OG 3.32Å
206	N	88.9	Confident	84.2	Confident	19 Å²	19	47.9 Å²	47.9	10%	0.102	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-18.5	-172.8	-64	-3.1	0	0	0	112.1	S203 L204 I208 Q246 P274 R275 L278	S203-N206 PolarHBondContact O-N 2.97Å; L204-N206 PolarHBondContact O-N 3.39Å; N206-I208 PolarHBondContact O-N 2.8Å; N206-I208 VanDerWaalsContact O-N 3.12Å; N206-Q246 PolarHBondContact ND2-NE2 3.17Å; N206-P274 PolarHBondContact ND2-O 2.89Å; N206-R275 WeakPolarHBondContact ND2-CA 3.42Å; N206-L278 PolarHBondContact O-N 3.38Å
207	I	91.2	Very high	83	Confident	22 Å²	22	47 Å²	47	11%	0.113	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	96.3	171	-57.3	166.8	0	0	0	106.6	L194 F202 S203 L204 R210 L278 I280	L194-I207 HydrophobicContact CD2-CD1 3.63Å; L194-I207 HydrophobicContact CD2-CG1 4.06Å; F202-I207 HydrophobicContact CB-CD1 4.09Å; S203-I207 PolarHBondContact O-N 3.05Å; L204-I207 PolarHBondContact O-N 3Å; I207-R210 HydrophobicContact CG2-CG 3.6Å; I207-L278 HydrophobicContact CG1-CD1 4.37Å; I207-I280 HydrophobicContact CG2-CG1 4.49Å
208	I	91.7	Very high	81.8	Confident	75 Å²	75	50.2 Å²	50.2	39%	0.385	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-48.7	-177.5	-55.5	-52.8	0	0	0	109.5	N206 D277 L278 F279	N206-I208 PolarHBondContact O-N 2.8Å; N206-I208 VanDerWaalsContact O-N 3.12Å; I208-D277 HydrophobicContact CD1-CB 4.28Å; I208-D277 HydrophobicContact CG1-CB 3.7Å; I208-L278 PolarHBondContact N-O 2.88Å; I208-F279 HydrophobicContact CB-CE1 4.28Å; I208-F279 HydrophobicContact CB-CE2 4.04Å; I208-F279 HydrophobicContact CB-CZ 3.92Å; I208-F279 HydrophobicContact CG1-CE2 4.11Å; I208-F279 HydrophobicContact CG1-CZ 4.33Å; I208-F279 HydrophobicContact CG2-CE1 3.93Å; I208-F279 HydrophobicContact CG2-CE2 4.25Å; I208-F279 HydrophobicContact CG2-CZ 3.64Å
209	E	89.8	Confident	80.3	Confident	42 Å²	42	50 Å²	50	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.2	-174.8	-78.7	169.6	-151.9	0	0	112.4	L278 F279 I280 Y301 R305	E209-L278 PolarHBondContact N-O 3.5Å; E209-F279 HydrophobicContact CB-CD1 3.9Å; E209-F279 HydrophobicContact CB-CE1 4.28Å; E209-F279 HydrophobicContact CG-CD1 4.43Å; E209-F279 HydrophobicContact CG-CE1 4.34Å; E209-I280 PolarHBondContact O-N 3.18Å; E209-Y301 WeakPolarHBondContact OE2-CE1 3.35Å; E209-Y301 VanDerWaalsContact OE2-CZ 3.26Å; E209-Y301 PolarHBondContact OE2-OH 2.86Å; E209-R305 VanDerWaalsContact CD-CZ 3.47Å; E209-R305 IonicContact OE1-CZ 3.58Å; E209-R305 IonicContact OE1-NE 2.84Å; E209-R305 PolarHBondContact OE1-NE 3.35Å; E209-R305 VanDerWaalsContact OE1-NE 3.12Å; E209-R305 IonicContact OE1-NH1 2.9Å; E209-R305 IonicContact OE1-NH2 2.71Å; E209-R305 PolarHBondContact OE1-NH2 3.01Å; E209-R305 IonicContact OE2-CZ 3.42Å; E209-R305 VanDerWaalsContact OE2-CZ 3.3Å; E209-R305 IonicContact OE2-NE 3.18Å; E209-R305 PolarHBondContact OE2-NE 3.04Å; E209-R305 IonicContact OE2-NH2 2.78Å; E209-R305 PolarHBondContact OE2-NH2 3.23Å; E209-R305 VanDerWaalsContact OE2-NH2 3.07Å
210	R	89.1	Confident	78.4	Confident	35 Å²	35	57.5 Å²	57.5	13%	0.132	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.1	175	-55.7	175.2	70.8	142.4	0.8	107	L194 A195 S197 I207 E228 A229 I280	L194-R210 VanDerWaalsContact C-NH2 3.35Å; L194-R210 PolarHBondContact O-NH2 3Å; A195-R210 PolarHBondContact O-NH1 3.17Å; A195-R210 PolarHBondContact O-NH2 2.77Å; S197-R210 PolarHBondContact OG-NH1 3.25Å; I207-R210 HydrophobicContact CG2-CG 3.6Å; R210-E228 PolarHBondContact NE-O 2.85Å; R210-E228 PolarHBondContact NH2-O 2.87Å; R210-A229 HydrophobicContact CB-CB 4.12Å; R210-I280 HydrophobicContact CB-CB 4.49Å; R210-I280 HydrophobicContact CG-CB 4.3Å; R210-I280 HydrophobicContact CG-CG1 4.32Å
211	T	87.8	Confident	76.4	Confident	9 Å²	9	57.7 Å²	57.7	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.9	-177.6	54.9	0	0	0	0	110.4	W69 W213 A229 I280 R282 Y301	W69-T211 HydrophobicContact CH2-CG2 3.65Å; W69-T211 HydrophobicContact CZ2-CG2 4.49Å; W69-T211 HydrophobicContact CZ3-CG2 4.26Å; T211-W213 PolarHBondContact OG1-NE1 3.42Å; T211-A229 WeakPolarHBondContact O-CB 3.31Å; T211-I280 PolarHBondContact N-O 2.86Å; T211-I280 PolarHBondContact OG1-O 3.11Å; T211-I280 VanDerWaalsContact OG1-O 3.11Å; T211-R282 PolarHBondContact O-N 3.01Å; T211-Y301 HydrophobicContact CG2-CD1 4.27Å; T211-Y301 HydrophobicContact CG2-CE1 3.67Å
212	D	86.9	Confident	74.4	Confident	22 Å²	22	64.6 Å²	64.6	12%	0.118	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.3	176.7	-165.9	-14.2	0	0	0	110.2	T214 V215 A229 R282	D212-T214 WeakPolarHBondContact OD1-CB 3.34Å; D212-T214 PolarHBondContact OD1-N 2.95Å; D212-T214 PolarHBondContact OD1-OG1 2.82Å; D212-V215 HydrophobicContact CB-CG2 4.2Å; D212-A229 HydrophobicContact CB-CB 4.07Å; D212-R282 HydrophobicContact CB-CB 4.41Å; D212-R282 IonicContact OD1-NE 2.84Å; D212-R282 WeakPolarHBondContact OD2-CD 3.13Å; D212-R282 IonicContact OD2-NE 2.61Å; D212-R282 PolarHBondContact OD2-NE 2.85Å
213	W	85	Confident	72.3	Confident	14 Å²	14	66.9 Å²	66.9	5%	0.053	36%	0.358	C	S	.	.			trans	-101.6	-1.5	-178.8	-58.8	87.5	0	0	0	112.2	W69 T211 F281 R282 V283 W294 D297 A298 Y301	W69-W213 HydrophobicContact CD2-CZ3 4.47Å; W69-W213 HydrophobicContact CE3-CD2 4.46Å; W69-W213 AromaticContact CE3-CE3 3.96Å; W69-W213 HydrophobicContact CE3-CE3 3.96Å; W69-W213 AromaticContact CE3-CH2 3.38Å; W69-W213 HydrophobicContact CE3-CH2 3.38Å; W69-W213 AromaticContact CE3-CZ2 3.85Å; W69-W213 HydrophobicContact CE3-CZ2 3.85Å; W69-W213 AromaticContact CE3-CZ3 3.4Å; W69-W213 HydrophobicContact CE3-CZ3 3.4Å; W69-W213 VanDerWaalsContact CE3-CZ3 3.4Å; W69-W213 AromaticContact CZ3-CH2 3.4Å; W69-W213 HydrophobicContact CZ3-CH2 3.4Å; W69-W213 VanDerWaalsContact CZ3-CH2 3.4Å; W69-W213 AromaticContact CZ3-CZ2 3.47Å; W69-W213 HydrophobicContact CZ3-CZ2 3.47Å; W69-W213 VanDerWaalsContact CZ3-CZ2 3.47Å; W69-W213 AromaticContact CZ3-CZ3 3.93Å; W69-W213 HydrophobicContact CZ3-CZ3 3.93Å; T211-W213 PolarHBondContact OG1-NE1 3.42Å; W213-F281 AromaticContact NE1-CD1 3.47Å; W213-R282 PolarHBondContact N-O 2.77Å; W213-V283 HydrophobicContact CB-CG1 4.22Å; W213-V283 HydrophobicContact CG-CG1 4.24Å; W213-W294 HydrophobicContact CB-CB 4.21Å; W213-W294 VanDerWaalsContact O-CD1 3.3Å; W213-W294 VanDerWaalsContact O-CD2 3.32Å; W213-W294 VanDerWaalsContact O-CE2 3.31Å; W213-W294 VanDerWaalsContact O-CG 3.31Å; W213-W294 PolarHBondContact O-NE1 3.1Å; W213-D297 HydrophobicContact CD2-CB 4.38Å; W213-D297 HydrophobicContact CE3-CB 3.46Å; W213-D297 VanDerWaalsContact CE3-CB 3.46Å; W213-D297 HydrophobicContact CH2-CB 4.19Å; W213-D297 WeakPolarHBondContact CH2-O 3.32Å; W213-D297 HydrophobicContact CZ3-CB 3.34Å; W213-D297 WeakPolarHBondContact CZ3-OD1 3.49Å; W213-A298 HydrophobicContact CD2-CB 4.03Å; W213-A298 HydrophobicContact CG-CB 4.13Å; W213-A298 HydrophobicContact CZ2-CB 4.21Å; W213-Y301 HydrophobicContact CH2-CG 4.32Å; W213-Y301 AromaticContact CZ2-CD1 3.86Å; W213-Y301 HydrophobicContact CZ2-CD1 3.86Å; W213-Y301 AromaticContact CZ2-CG 3.94Å; W213-Y301 HydrophobicContact CZ2-CG 3.94Å
214	T	80.3	Confident	70.6	Confident	22 Å²	22	71.1 Å²	71.1	14%	0.135	38%	0.378	C	S	.	.	S	Bend	trans	-87.9	-7.2	-176.6	70.1	0	0	0	0	113.3	D212 R282 F284 T285 W294	D212-T214 WeakPolarHBondContact OD1-CB 3.34Å; D212-T214 PolarHBondContact OD1-N 2.95Å; D212-T214 PolarHBondContact OD1-OG1 2.82Å; T214-R282 HydrophobicContact CG2-CG 4.03Å; T214-F284 VanDerWaalsContact CG2-C 3.44Å; T214-F284 WeakPolarHBondContact CG2-O 3.46Å; T214-T285 HydrophobicContact CG2-CG2 4.44Å; T214-W294 HydrophobicContact CG2-CE3 3.96Å; T214-W294 HydrophobicContact CG2-CH2 4.19Å; T214-W294 HydrophobicContact CG2-CZ3 3.62Å
215	V	72.1	Confident	69	Low	66 Å²	66	69.5 Å²	69.5	40%	0.4	37%	0.37	S	S	.	.			trans	-86.1	126.6	-173.4	-176	0	0	0	0	111.1	D212 I217	D212-V215 HydrophobicContact CB-CG2 4.2Å; V215-I217 PolarHBondContact O-N 3.41Å
216	D	62.9	Low	67.7	Low	88 Å²	88	66.9 Å²	66.9	47%	0.471	35%	0.351	S	S	.	.			trans	-73.1	112.1	167.1	-170.6	-17.1	0	0	0	110.1	T218 N219	D216-T218 PolarHBondContact O-N 3.24Å; D216-T218 VanDerWaalsContact O-N 3.12Å; D216-T218 WeakPolarHBondContact OD1-CB 3.31Å; D216-T218 PolarHBondContact OD1-N 2.73Å; D216-T218 PolarHBondContact OD1-OG1 3.03Å; D216-T218 PolarHBondContact OD2-OG1 3.13Å; D216-N219 PolarHBondContact O-N 3.05Å
217	I	61.2	Low	66.2	Low	35 Å²	35	70.5 Å²	70.5	18%	0.179	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.5	-177.1	-54.3	170.5	0	0	0	111.9	W69 V215 R220	W69-I217 VanDerWaalsContact CA-CD1 3.47Å; W69-I217 HydrophobicContact CB-CD1 3.62Å; W69-I217 HydrophobicContact CB-CG1 4.44Å; V215-I217 PolarHBondContact O-N 3.41Å; I217-R220 WeakPolarHBondContact O-CG 3.3Å; I217-R220 PolarHBondContact O-NE 3.44Å
218	T	54.6	Low	65.4	Low	103 Å²	103	73 Å²	73	63%	0.632	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-29.2	-178.5	65.8	0	0	0	0	113	D216 R220	D216-T218 PolarHBondContact O-N 3.24Å; D216-T218 VanDerWaalsContact O-N 3.12Å; D216-T218 WeakPolarHBondContact OD1-CB 3.31Å; D216-T218 PolarHBondContact OD1-N 2.73Å; D216-T218 PolarHBondContact OD1-OG1 3.03Å; D216-T218 PolarHBondContact OD2-OG1 3.13Å; T218-R220 PolarHBondContact O-N 3.35Å
219	N	51.6	Low	65	Low	135 Å²	135	69.4 Å²	69.4	72%	0.722	36%	0.363	S	S	*	.	S	Bend	trans	-95.8	50.7	-179.7	-82.7	-17	0	0	0	112.8	D216 S221	D216-N219 PolarHBondContact O-N 3.05Å; N219-S221 PolarHBondContact O-N 3.34Å
220	R	45.9	Very low	65	Low	170 Å²	170	68.7 Å²	68.7	64%	0.642	36%	0.36	S	S	*	.			trans	-70.8	92.8	178.6	-77.8	174.5	-172.6	-158.7	0.5	112.4	I217 T218	I217-R220 WeakPolarHBondContact O-CG 3.3Å; I217-R220 PolarHBondContact O-NE 3.44Å; T218-R220 PolarHBondContact O-N 3.35Å
221	S	43.7	Very low	64.9	Low	105 Å²	105	67.3 Å²	67.3	73%	0.734	36%	0.355	S	S	*	.				-96.1	115	126.1	-171.1	0	0	0	0	105.9	N219 S223	N219-S221 PolarHBondContact O-N 3.34Å; S221-S223 PolarHBondContact O-N 3.3Å
222	Y	45.7	Very low	64.7	Low	147 Å²	147	73.5 Å²	73.5	58%	0.576	38%	0.378	S	S	*	.			trans	-63.8	86.1	169.3	-117.5	-98.4	0	0	0	106.2	I227	Y222-I227 HydrophobicContact CD1-CD1 3.83Å; Y222-I227 HydrophobicContact CD1-CG1 4.05Å; Y222-I227 HydrophobicContact CE1-CD1 3.58Å; Y222-I227 HydrophobicContact CE1-CG1 3.63Å
223	S	45.1	Very low	64.4	Low	65 Å²	65	74.2 Å²	74.2	46%	0.455	38%	0.38	S	S	.	.			trans	-70.8	128.6	154.7	49.8	0	0	0	0	105.5	S221 D225 S226	S221-S223 PolarHBondContact O-N 3.3Å; S223-D225 PolarHBondContact O-N 3.41Å; S223-S226 PolarHBondContact O-N 2.89Å; S223-S226 VanDerWaalsContact O-N 3.11Å; S223-S226 PolarHBondContact O-OG 2.88Å
224	D	46.6	Very low	64.4	Low	126 Å²	126	73.6 Å²	73.6	67%	0.674	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-50	-26.8	179.1	-79.1	-35.2	0	0	0	111.8	S226 I227	D224-S226 VanDerWaalsContact C-N 3.26Å; D224-S226 PolarHBondContact O-N 3.39Å; D224-S226 VanDerWaalsContact O-N 3.17Å; D224-I227 WeakPolarHBondContact O-CB 3.17Å; D224-I227 PolarHBondContact O-N 2.98Å
225	D	47.9	Very low	64.6	Low	73 Å²	73	73 Å²	73	39%	0.39	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-52.6	-33.8	177	-65.6	-3	0	0	0	114.7	S223 I227 E228 L230 R232	S223-D225 PolarHBondContact O-N 3.41Å; D225-I227 VanDerWaalsContact C-N 3.29Å; D225-I227 PolarHBondContact O-N 2.92Å; D225-E228 PolarHBondContact O-N 3.39Å; D225-L230 HydrophobicContact CB-CD1 4.43Å; D225-R232 IonicContact OD2-CZ 2.69Å; D225-R232 IonicContact OD2-NH2 3.87Å; D225-R232 PolarHBondContact OD2-NH2 3.45Å
226	S	53.3	Low	65.4	Low	31 Å²	31	69.8 Å²	69.8	22%	0.217	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-70.4	-23.5	179.3	61.2	0	0	0	0	113.5	S223 D224 E228	S223-S226 PolarHBondContact O-N 2.89Å; S223-S226 VanDerWaalsContact O-N 3.11Å; S223-S226 PolarHBondContact O-OG 2.88Å; D224-S226 VanDerWaalsContact C-N 3.26Å; D224-S226 PolarHBondContact O-N 3.39Å; D224-S226 VanDerWaalsContact O-N 3.17Å; S226-E228 VanDerWaalsContact C-N 3.26Å; S226-E228 PolarHBondContact O-N 3.21Å
227	I	58.6	Low	66.8	Low	95 Å²	95	65.6 Å²	65.6	49%	0.487	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-73.5	-25.1	179.2	-57.3	175.7	0	0	0	110.4	Y222 D224 D225	Y222-I227 HydrophobicContact CD1-CD1 3.83Å; Y222-I227 HydrophobicContact CD1-CG1 4.05Å; Y222-I227 HydrophobicContact CE1-CD1 3.58Å; Y222-I227 HydrophobicContact CE1-CG1 3.63Å; D224-I227 WeakPolarHBondContact O-CB 3.17Å; D224-I227 PolarHBondContact O-N 2.98Å; D225-I227 VanDerWaalsContact C-N 3.29Å; D225-I227 PolarHBondContact O-N 2.92Å
228	E	72.9	Confident	68.2	Low	75 Å²	75	64 Å²	64	35%	0.35	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-5	-172.3	-67	-158.7	172	0	0	114.7	R210 D225 S226 L230	R210-E228 PolarHBondContact NE-O 2.85Å; R210-E228 PolarHBondContact NH2-O 2.87Å; D225-E228 PolarHBondContact O-N 3.39Å; S226-E228 VanDerWaalsContact C-N 3.26Å; S226-E228 PolarHBondContact O-N 3.21Å; E228-L230 HydrophobicContact CB-CD1 4.47Å; E228-L230 HydrophobicContact CB-CD2 3.85Å; E228-L230 HydrophobicContact CB-CG 3.78Å; E228-L230 PolarHBondContact O-N 2.89Å
229	A	84.5	Confident	70	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	49.7	-177.3	0	0	0	0	0	111.8	G193 L194 R210 T211 D212 R282	G193-A229 VanDerWaalsContact CA-O 3.25Å; G193-A229 WeakPolarHBondContact CA-O 3.3Å; L194-A229 PolarHBondContact N-O 3.4Å; L194-A229 VanDerWaalsContact N-O 3.08Å; R210-A229 HydrophobicContact CB-CB 4.12Å; T211-A229 WeakPolarHBondContact O-CB 3.31Å; D212-A229 HydrophobicContact CB-CB 4.07Å; A229-R282 HydrophobicContact CB-CB 3.85Å
230	L	88.6	Confident	72.1	Confident	26 Å²	26	52.7 Å²	52.7	14%	0.136	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-68.3	135.8	-173.7	-68.8	176	0	0	0	111.4	L194 P196 D225 E228 R282	L194-L230 CarbonylContact O-C 3.49Å; L194-L230 WeakPolarHBondContact O-CA 3.38Å; P196-L230 HydrophobicContact CB-CD2 4.24Å; P196-L230 HydrophobicContact CG-CD2 3.98Å; D225-L230 HydrophobicContact CB-CD1 4.43Å; E228-L230 HydrophobicContact CB-CD1 4.47Å; E228-L230 HydrophobicContact CB-CD2 3.85Å; E228-L230 HydrophobicContact CB-CG 3.78Å; E228-L230 PolarHBondContact O-N 2.89Å; L230-R282 PolarHBondContact O-NH1 3.31Å
231	D	87.4	Confident	74.4	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.037	23%	0.23	C	C	.	.			trans	-81.9	122.2	172	-172.2	10.9	0	0	0	110.9	T192 L194 H233 G234 G236 T237 L409	T192-D231 WeakPolarHBondContact CB-OD1 3.32Å; T192-D231 WeakPolarHBondContact O-CA 3.46Å; T192-D231 VanDerWaalsContact OG1-CG 3.3Å; T192-D231 PolarHBondContact OG1-OD1 2.71Å; L194-D231 VanDerWaalsContact C-CB 3.46Å; L194-D231 PolarHBondContact O-N 2.87Å; D231-H233 PolarHBondContact OD1-N 2.83Å; D231-G234 VanDerWaalsContact CG-N 3.26Å; D231-G234 PolarHBondContact OD1-N 3.04Å; D231-G234 WeakPolarHBondContact OD2-CA 3.42Å; D231-G234 PolarHBondContact OD2-N 2.99Å; D231-G236 PolarHBondContact OD2-N 2.85Å; D231-T237 WeakPolarHBondContact CB-OG1 3.37Å; D231-T237 WeakPolarHBondContact OD2-CB 3.29Å; D231-T237 PolarHBondContact OD2-N 2.92Å; D231-T237 PolarHBondContact OD2-OG1 3.01Å; D231-L409 HydrophobicContact CB-CD2 3.9Å; D231-L409 VanDerWaalsContact O-CD2 3.22Å; D231-L409 WeakPolarHBondContact O-CD2 3.29Å
232	R	84.3	Confident	76.9	Confident	138 Å²	138	40.3 Å²	40.3	52%	0.521	20%	0.198	S	C	.	.	S	Bend	trans	-112.9	-4.3	171.6	-41.9	-171	179.3	-137.6	-6.5	113.5	D225 D286	D225-R232 IonicContact OD2-CZ 2.69Å; D225-R232 IonicContact OD2-NH2 3.87Å; D225-R232 PolarHBondContact OD2-NH2 3.45Å; R232-D286 HydrophobicContact CB-CB 4.37Å; R232-D286 VanDerWaalsContact CB-OD1 3.27Å; R232-D286 WeakPolarHBondContact CB-OD1 3.49Å; R232-D286 WeakPolarHBondContact CD-OD2 3.48Å; R232-D286 WeakPolarHBondContact CG-OD1 3.3Å
233	H	80.3	Confident	79.3	Confident	38 Å²	38	33.3 Å²	33.3	18%	0.176	17%	0.171	C	C	.	.	S	Bend	trans	-97.5	-29.3	177.8	176.2	72.8	0	0	0	111.6	T192 D231 H235 Q288	T192-H233 HydrophobicContact CG2-CB 3.85Å; D231-H233 PolarHBondContact OD1-N 2.83Å; H233-H235 WeakPolarHBondContact CD2-CB 3.42Å; H233-Q288 PolarHBondContact CE1-NE2 3.29Å; H233-Q288 PolarHBondContact ND1-NE2 3.27Å; H233-Q288 PolarHBondContact NE2-NE2 2.81Å
234	G	84.9	Confident	81.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	91.8	-8.8	176.7	0	0	0	0	0	114.7	D231 Y238 R414	D231-G234 VanDerWaalsContact CG-N 3.26Å; D231-G234 PolarHBondContact OD1-N 3.04Å; D231-G234 WeakPolarHBondContact OD2-CA 3.42Å; D231-G234 PolarHBondContact OD2-N 2.99Å; G234-Y238 VanDerWaalsContact O-CB 3.25Å; G234-Y238 WeakPolarHBondContact O-CB 3.28Å; G234-Y238 PolarHBondContact O-N 3.41Å; G234-R414 VanDerWaalsContact C-CZ 3.49Å; G234-R414 VanDerWaalsContact C-NH1 3.32Å; G234-R414 PolarHBondContact O-NH1 2.86Å; G234-R414 PolarHBondContact O-NH2 3.11Å; G234-R414 VanDerWaalsContact O-NH2 3.16Å
235	H	84.5	Confident	83.8	Confident	9 Å²	9	24.7 Å²	24.7	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-70.6	-49.8	179.4	-170.3	-86.4	0	0	0	112.5	D191 H233 T237 Y238 V239 S420	D191-H235 IonicContact OD1-CE1 3.23Å; D191-H235 IonicContact OD1-CG 2.68Å; D191-H235 IonicContact OD1-ND1 3.34Å; D191-H235 PolarHBondContact OD1-ND1 2.87Å; D191-H235 IonicContact OD2-CE1 2.75Å; D191-H235 PolarHBondContact OD2-CE1 3.12Å; D191-H235 IonicContact OD2-ND1 3.77Å; D191-H235 PolarHBondContact OD2-ND1 2.61Å; H233-H235 WeakPolarHBondContact CD2-CB 3.42Å; H235-T237 VanDerWaalsContact C-N 3.26Å; H235-T237 PolarHBondContact O-N 2.85Å; H235-Y238 WeakPolarHBondContact O-CB 3.42Å; H235-Y238 PolarHBondContact O-N 3.08Å; H235-Y238 VanDerWaalsContact O-N 3.09Å; H235-V239 VanDerWaalsContact CE1-CG2 3.48Å; H235-V239 WeakPolarHBondContact CE1-CG2 3.45Å; H235-V239 WeakPolarHBondContact O-CB 3.41Å; H235-V239 VanDerWaalsContact O-CG2 3.3Å; H235-V239 WeakPolarHBondContact O-CG2 3.36Å; H235-V239 PolarHBondContact O-N 3.19Å; H235-S420 WeakPolarHBondContact NE2-CB 3.39Å
236	G	89.3	Confident	85.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-38.6	176.1	0	0	0	0	0	113	D191 T192 G193 D231 T240	D191-G236 VanDerWaalsContact CG-CA 3.44Å; D191-G236 WeakPolarHBondContact OD1-CA 3.29Å; D191-G236 PolarHBondContact OD1-N 3.23Å; T192-G236 PolarHBondContact OG1-N 2.99Å; G193-G236 CarbonylContact O-C 3.52Å; G193-G236 VanDerWaalsContact O-CA 3.29Å; G193-G236 WeakPolarHBondContact O-CA 3.36Å; D231-G236 PolarHBondContact OD2-N 2.85Å; G236-T240 VanDerWaalsContact O-CB 3.28Å; G236-T240 WeakPolarHBondContact O-CB 3.48Å; G236-T240 PolarHBondContact O-N 2.82Å; G236-T240 PolarHBondContact O-OG1 2.81Å
237	T	92.3	Very high	86.5	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.4	-45.2	174.2	-60.2	0	0	0	0	111.9	A195 F202 D231 H235 G241 L409	A195-T237 HydrophobicContact CB-CG2 3.72Å; A195-T237 PolarHBondContact N-OG1 2.63Å; F202-T237 HydrophobicContact CE2-CG2 3.95Å; F202-T237 HydrophobicContact CZ-CG2 4.36Å; D231-T237 WeakPolarHBondContact CB-OG1 3.37Å; D231-T237 WeakPolarHBondContact OD2-CB 3.29Å; D231-T237 PolarHBondContact OD2-N 2.92Å; D231-T237 PolarHBondContact OD2-OG1 3.01Å; H235-T237 VanDerWaalsContact C-N 3.26Å; H235-T237 PolarHBondContact O-N 2.85Å; T237-G241 PolarHBondContact O-N 2.75Å; T237-L409 HydrophobicContact CG2-CD2 4.37Å; T237-L409 WeakPolarHBondContact OG1-CD2 3.25Å
238	Y	90.2	Very high	86.6	Confident	1 Å²	1	22.4 Å²	22.4	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-47.8	177.9	174.1	-85	0	0	0	112.5	G234 H235 G241 L242 V404 S406 S407 R414 L416 V421	G234-Y238 VanDerWaalsContact O-CB 3.25Å; G234-Y238 WeakPolarHBondContact O-CB 3.28Å; G234-Y238 PolarHBondContact O-N 3.41Å; H235-Y238 WeakPolarHBondContact O-CB 3.42Å; H235-Y238 PolarHBondContact O-N 3.08Å; H235-Y238 VanDerWaalsContact O-N 3.09Å; Y238-G241 PolarHBondContact O-N 3.23Å; Y238-L242 HydrophobicContact CD1-CD1 4.27Å; Y238-L242 HydrophobicContact CE1-CD1 3.65Å; Y238-L242 HydrophobicContact CE1-CG 4.44Å; Y238-L242 PolarHBondContact O-N 3.48Å; Y238-V404 PolarHBondContact OH-O 3.44Å; Y238-S406 VanDerWaalsContact CD2-CB 3.49Å; Y238-S406 VanDerWaalsContact CE2-CB 3.42Å; Y238-S406 WeakPolarHBondContact O-CB 3.26Å; Y238-S406 PolarHBondContact O-OG 2.86Å; Y238-S407 WeakPolarHBondContact CA-O 3.43Å; Y238-S407 WeakPolarHBondContact CB-O 3.39Å; Y238-R414 HydrophobicContact CD2-CG 3.41Å; Y238-R414 VanDerWaalsContact CD2-CG 3.41Å; Y238-R414 VanDerWaalsContact CD2-NE 3.34Å; Y238-R414 HydrophobicContact CE2-CG 3.98Å; Y238-R414 WeakPolarHBondContact CE2-O 3.04Å; Y238-R414 HydrophobicContact CG-CG 4.4Å; Y238-L416 HydrophobicContact CD1-CD1 3.77Å; Y238-L416 HydrophobicContact CD2-CD1 4.02Å; Y238-L416 HydrophobicContact CD2-CG 4.18Å; Y238-L416 HydrophobicContact CE1-CB 4.04Å; Y238-L416 HydrophobicContact CE1-CD1 3.85Å; Y238-L416 HydrophobicContact CE1-CG 4.29Å; Y238-L416 HydrophobicContact CE2-CB 3.97Å; Y238-L416 HydrophobicContact CE2-CD1 4.05Å; Y238-L416 HydrophobicContact CE2-CG 3.84Å; Y238-L416 HydrophobicContact CG-CD1 3.87Å; Y238-V421 HydrophobicContact CE1-CB 4.49Å; Y238-V421 HydrophobicContact CE1-CG1 4.3Å; Y238-V421 HydrophobicContact CE1-CG2 3.88Å
239	V	93	Very high	85.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-47.8	177.9	166.6	0	0	0	0	110.4	I189 H235 G241 L242 I243 N311 P424	I189-V239 HydrophobicContact CG2-CG1 4.06Å; H235-V239 VanDerWaalsContact CE1-CG2 3.48Å; H235-V239 WeakPolarHBondContact CE1-CG2 3.45Å; H235-V239 WeakPolarHBondContact O-CB 3.41Å; H235-V239 VanDerWaalsContact O-CG2 3.3Å; H235-V239 WeakPolarHBondContact O-CG2 3.36Å; H235-V239 PolarHBondContact O-N 3.19Å; V239-G241 PolarHBondContact O-N 2.89Å; V239-L242 PolarHBondContact O-N 2.88Å; V239-I243 PolarHBondContact O-N 2.61Å; V239-N311 WeakPolarHBondContact CG1-ND2 3.43Å; V239-P424 HydrophobicContact CB-CB 4.44Å; V239-P424 HydrophobicContact CB-CG 4.36Å; V239-P424 HydrophobicContact CG1-CB 3.66Å; V239-P424 HydrophobicContact CG1-CG 3.92Å; V239-P424 HydrophobicContact CG2-CG 4.28Å
240	T	95.6	Very high	84.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-35.3	176.6	-54.2	0	0	0	0	111.4	L194 F202 G236 L242 I243 A244 L278 I280	L194-T240 HydrophobicContact CD1-CG2 3.78Å; L194-T240 HydrophobicContact CD2-CG2 4.49Å; F202-T240 HydrophobicContact CD1-CG2 4.18Å; F202-T240 HydrophobicContact CE1-CG2 3.68Å; F202-T240 HydrophobicContact CZ-CG2 4.19Å; G236-T240 VanDerWaalsContact O-CB 3.28Å; G236-T240 WeakPolarHBondContact O-CB 3.48Å; G236-T240 PolarHBondContact O-N 2.82Å; G236-T240 PolarHBondContact O-OG1 2.81Å; T240-L242 VanDerWaalsContact C-N 3.34Å; T240-L242 PolarHBondContact O-N 3Å; T240-I243 PolarHBondContact O-N 3.46Å; T240-A244 PolarHBondContact O-N 3.04Å; T240-L278 HydrophobicContact CG2-CD1 3.95Å; T240-I280 HydrophobicContact CG2-CD1 4.32Å
241	G	94.3	Very high	82.9	Confident	3 Å²	3	30.5 Å²	30.5	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-41.4	175.7	0	0	0	0	0	113.4	T237 Y238 V239 I243 A245 G271 S406	T237-G241 PolarHBondContact O-N 2.75Å; Y238-G241 PolarHBondContact O-N 3.23Å; V239-G241 PolarHBondContact O-N 2.89Å; G241-I243 VanDerWaalsContact C-N 3.29Å; G241-I243 PolarHBondContact O-N 3.34Å; G241-A245 WeakPolarHBondContact O-CB 3.49Å; G241-A245 PolarHBondContact O-N 2.95Å; G241-G271 WeakPolarHBondContact O-CA 3.29Å; G241-S406 VanDerWaalsContact C-OG 3.29Å; G241-S406 WeakPolarHBondContact CA-OG 3.3Å
242	L	95.3	Very high	81.7	Confident	13 Å²	13	33.8 Å²	33.8	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-35.6	177.9	-66.4	170.2	0	0	0	111.9	Y238 V239 T240 G271 F272 V404 S406 V421 P424 I425	Y238-L242 HydrophobicContact CD1-CD1 4.27Å; Y238-L242 HydrophobicContact CE1-CD1 3.65Å; Y238-L242 HydrophobicContact CE1-CG 4.44Å; Y238-L242 PolarHBondContact O-N 3.48Å; V239-L242 PolarHBondContact O-N 2.88Å; T240-L242 VanDerWaalsContact C-N 3.34Å; T240-L242 PolarHBondContact O-N 3Å; L242-G271 VanDerWaalsContact O-CA 3.24Å; L242-G271 WeakPolarHBondContact O-CA 3.38Å; L242-F272 PolarHBondContact O-N 3.25Å; L242-V404 HydrophobicContact CD2-CG1 3.52Å; L242-S406 PolarHBondContact N-OG 3.15Å; L242-S406 VanDerWaalsContact N-OG 3.15Å; L242-V421 HydrophobicContact CD1-CG1 3.78Å; L242-P424 HydrophobicContact CB-CB 4.24Å; L242-P424 HydrophobicContact CB-CG 4.42Å; L242-P424 HydrophobicContact CD1-CB 4.43Å; L242-P424 HydrophobicContact CD1-CG 3.72Å; L242-I425 HydrophobicContact CB-CG1 4.46Å; L242-I425 HydrophobicContact CD1-CG1 4.27Å; L242-I425 HydrophobicContact CD2-CG1 4.37Å
243	I	97.1	Very high	80.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-75.3	-51.6	179.3	-61.3	168.6	0	0	0	110.1	V187 I189 V239 T240 G241 G271 F272 A273 L278 N311 P424 T427	V187-I243 HydrophobicContact CG1-CD1 4.45Å; V187-I243 HydrophobicContact CG1-CG2 4.31Å; I189-I243 HydrophobicContact CG1-CD1 3.85Å; V239-I243 PolarHBondContact O-N 2.61Å; T240-I243 PolarHBondContact O-N 3.46Å; G241-I243 VanDerWaalsContact C-N 3.29Å; G241-I243 PolarHBondContact O-N 3.34Å; I243-G271 CarbonylContact O-C 3.52Å; I243-F272 PolarHBondContact O-N 3.01Å; I243-F272 VanDerWaalsContact O-N 3.15Å; I243-A273 CarbonylContact O-C 3.6Å; I243-A273 WeakPolarHBondContact O-CA 3.5Å; I243-A273 PolarHBondContact O-N 3.39Å; I243-L278 HydrophobicContact CG2-CD2 4.5Å; I243-N311 HydrophobicContact CD1-CB 4.08Å; I243-P424 HydrophobicContact CD1-CB 3.91Å; I243-P424 HydrophobicContact CG1-CB 3.77Å; I243-P424 VanDerWaalsContact CG1-O 3.3Å; I243-P424 WeakPolarHBondContact CG1-O 3.17Å; I243-T427 HydrophobicContact CD1-CG2 3.92Å; I243-T427 HydrophobicContact CG1-CG2 4.38Å
244	A	94.9	Very high	79.6	Confident	3 Å²	3	34.8 Å²	34.8	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-143.9	19.5	-159.4	0	0	0	0	0	116.4	T240 Q246 A273 L278	T240-A244 PolarHBondContact O-N 3.04Å; A244-Q246 PolarHBondContact O-N 3.46Å; A244-A273 WeakPolarHBondContact CB-O 3.22Å; A244-L278 HydrophobicContact CB-CD1 3.78Å; A244-L278 HydrophobicContact CB-CD2 3.71Å; A244-L278 HydrophobicContact CB-CG 4.23Å
245	A	91.7	Very high	78.6	Confident	6 Å²	6	34.8 Å²	34.8	5%	0.05	18%	0.18	C	C	.	.			trans	-59	138.6	173.8	0	0	0	0	0	112.3	H201 G241 W270 G271	H201-A245 HydrophobicContact CB-CB 4.26Å; H201-A245 CarbonylContact O-C 3.54Å; H201-A245 WeakPolarHBondContact O-CA 3.29Å; G241-A245 WeakPolarHBondContact O-CB 3.49Å; G241-A245 PolarHBondContact O-N 2.95Å; A245-W270 CarbonylContact O-C 3.49Å; A245-W270 VanDerWaalsContact O-CA 3.29Å; A245-W270 WeakPolarHBondContact O-CA 3.49Å; A245-G271 PolarHBondContact O-N 3.29Å
246	Q	84.8	Confident	77.5	Confident	47 Å²	47	36.7 Å²	36.7	22%	0.22	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-123	81.2	173.5	-68.7	-172.5	4.7	0	0	109.5	H201 N206 A244 S248 P274	H201-Q246 PolarHBondContact O-N 3.18Å; N206-Q246 PolarHBondContact ND2-NE2 3.17Å; A244-Q246 PolarHBondContact O-N 3.46Å; Q246-S248 PolarHBondContact O-N 3.39Å; Q246-S248 VanDerWaalsContact O-N 3.11Å; Q246-P274 HydrophobicContact CG-CB 3.66Å; Q246-P274 PolarHBondContact NE2-O 3.44Å
247	N	71.7	Confident	76.1	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.043	22%	0.215	C	C	.	.			trans	-78.6	101.1	174.1	-161.2	-21.3	0	0	0	109.6	N249 L250 C267 P269	N247-N249 PolarHBondContact O-N 3.22Å; N247-N249 PolarHBondContact OD1-N 3.46Å; N247-L250 WeakPolarHBondContact ND2-CD1 3.37Å; N247-C267 WeakPolarHBondContact ND2-CB 3.28Å; N247-P269 WeakPolarHBondContact CB-O 3.21Å; N247-P269 PolarHBondContact N-O 2.96Å
248	S	61.6	Low	74.7	Confident	97 Å²	97	43 Å²	43	68%	0.678	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.6	-179	55.2	0	0	0	0	113.5	Q246	Q246-S248 PolarHBondContact O-N 3.39Å; Q246-S248 VanDerWaalsContact O-N 3.11Å
249	N	52.9	Low	73.2	Confident	106 Å²	106	45.8 Å²	45.8	57%	0.567	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	2.7	-166.2	-77	-29.2	0	0	0	115.8	N247 K254	N247-N249 PolarHBondContact O-N 3.22Å; N247-N249 PolarHBondContact OD1-N 3.46Å; N249-K254 WeakPolarHBondContact O-CD 3.41Å; N249-K254 PolarHBondContact O-NZ 2.96Å
250	L	56.1	Low	71.6	Confident	19 Å²	19	51 Å²	51	10%	0.099	26%	0.261	C	S	.	.			trans	-124.7	100.1	-179.1	-92.2	129.6	0	0	0	111.9	N247 F255	N247-L250 WeakPolarHBondContact ND2-CD1 3.37Å; L250-F255 HydrophobicContact CD2-CB 3.81Å; L250-F255 HydrophobicContact CD2-CD2 4.23Å
251	Y	59.4	Low	70	Confident	146 Å²	146	58 Å²	58	57%	0.573	29%	0.292	S	S	*	.			trans	-64.4	150	159.3	-75.9	-86.3	0	0	0	109.9	S253 K254 F255 H1076	Y251-S253 PolarHBondContact O-N 3.48Å; Y251-K254 CarbonylContact O-C 3.51Å; Y251-K254 WeakPolarHBondContact O-CA 3.48Å; Y251-K254 WeakPolarHBondContact O-CB 3.4Å; Y251-K254 PolarHBondContact O-N 3.28Å; Y251-F255 PolarHBondContact O-N 2.75Å; Y251-H1076 AromaticContact CE1-CE1 3.79Å
252	Y	61.8	Low	68	Low	76 Å²	76	64.7 Å²	64.7	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-53.5	-38.9	174.1	-179.2	-111.1	0	0	0	112.8	W167 F255 I256	W167-Y252 AromaticContact CH2-CD2 3.68Å; W167-Y252 HydrophobicContact CH2-CD2 3.68Å; W167-Y252 AromaticContact CH2-CE2 3.93Å; W167-Y252 HydrophobicContact CH2-CE2 3.93Å; W167-Y252 HydrophobicContact CZ2-CD2 4.18Å; W167-Y252 HydrophobicContact CZ2-CE2 4.31Å; Y252-F255 HydrophobicContact CD2-CD1 4.39Å; Y252-F255 WeakPolarHBondContact O-CB 3.41Å; Y252-F255 PolarHBondContact O-N 2.96Å; Y252-I256 HydrophobicContact CD1-CD1 3.76Å; Y252-I256 HydrophobicContact CE1-CD1 3.3Å; Y252-I256 HydrophobicContact CE1-CG1 4.28Å; Y252-I256 HydrophobicContact CE2-CD1 4.29Å; Y252-I256 HydrophobicContact CE2-CG1 4.45Å; Y252-I256 HydrophobicContact CG-CD1 4.43Å; Y252-I256 WeakPolarHBondContact O-CG1 3.26Å; Y252-I256 PolarHBondContact O-N 3.13Å
253	S	57.8	Low	66.3	Low	84 Å²	84	67.7 Å²	67.7	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-63.3	-40.6	173.9	55	0	0	0	0	112.7	Y251 H257	Y251-S253 PolarHBondContact O-N 3.48Å; S253-H257 VanDerWaalsContact O-CB 3.3Å; S253-H257 WeakPolarHBondContact O-CB 3.41Å; S253-H257 PolarHBondContact O-N 2.94Å
254	K	62.3	Low	64.2	Low	112 Å²	112	73.6 Å²	73.6	49%	0.487	37%	0.369	S	S	.	.	H	α-helix	trans	-70.7	-34.8	175.2	-170.2	177.1	174.8	-168.8	0	111.6	N249 Y251 H257 S258	N249-K254 WeakPolarHBondContact O-CD 3.41Å; N249-K254 PolarHBondContact O-NZ 2.96Å; Y251-K254 CarbonylContact O-C 3.51Å; Y251-K254 WeakPolarHBondContact O-CA 3.48Å; Y251-K254 WeakPolarHBondContact O-CB 3.4Å; Y251-K254 PolarHBondContact O-N 3.28Å; K254-H257 PolarHBondContact O-N 3.5Å; K254-S258 WeakPolarHBondContact O-CB 3.47Å; K254-S258 PolarHBondContact O-N 3.23Å
255	F	64.2	Low	62.3	Low	1 Å²	1	75.4 Å²	75.4	0%	0.004	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-51	172.5	173.1	-104	0	0	0	110.5	P162 L163 L250 Y251 Y252 H257 S258 F259 C267	P162-F255 WeakPolarHBondContact O-CE1 3.4Å; P162-F255 VanDerWaalsContact O-CZ 3.23Å; P162-F255 WeakPolarHBondContact O-CZ 3.49Å; L163-F255 HydrophobicContact CD2-CD1 3.98Å; L163-F255 HydrophobicContact CD2-CE1 3.6Å; L250-F255 HydrophobicContact CD2-CB 3.81Å; L250-F255 HydrophobicContact CD2-CD2 4.23Å; Y251-F255 PolarHBondContact O-N 2.75Å; Y252-F255 HydrophobicContact CD2-CD1 4.39Å; Y252-F255 WeakPolarHBondContact O-CB 3.41Å; Y252-F255 PolarHBondContact O-N 2.96Å; F255-H257 VanDerWaalsContact C-N 3.32Å; F255-H257 PolarHBondContact O-N 3.29Å; F255-S258 PolarHBondContact O-N 3.49Å; F255-F259 WeakPolarHBondContact O-CB 3.38Å; F255-F259 PolarHBondContact O-N 3.24Å; F255-C267 VanDerWaalsContact CD2-O 3.22Å; F255-C267 WeakPolarHBondContact CD2-O 3.09Å
256	I	62.3	Low	61.1	Low	49 Å²	49	76 Å²	76	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-56.8	-46.7	173	-68.1	165.1	0	0	0	111	L163 Y252 S258 F259 N260	L163-I256 HydrophobicContact CD1-CG1 4.46Å; L163-I256 HydrophobicContact CD2-CB 4.47Å; L163-I256 HydrophobicContact CD2-CG1 3.78Å; Y252-I256 HydrophobicContact CD1-CD1 3.76Å; Y252-I256 HydrophobicContact CE1-CD1 3.3Å; Y252-I256 HydrophobicContact CE1-CG1 4.28Å; Y252-I256 HydrophobicContact CE2-CD1 4.29Å; Y252-I256 HydrophobicContact CE2-CG1 4.45Å; Y252-I256 HydrophobicContact CG-CD1 4.43Å; Y252-I256 WeakPolarHBondContact O-CG1 3.26Å; Y252-I256 PolarHBondContact O-N 3.13Å; I256-S258 PolarHBondContact O-N 3.39Å; I256-F259 PolarHBondContact O-N 3.47Å; I256-N260 WeakPolarHBondContact O-CB 3.48Å; I256-N260 VanDerWaalsContact O-CG 3.22Å; I256-N260 PolarHBondContact O-N 3.43Å; I256-N260 PolarHBondContact O-ND2 2.96Å
257	H	59.4	Low	60.6	Low	114 Å²	114	73.9 Å²	73.9	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-67.1	-37.3	-177	-165.3	-43.4	0	0	0	113	S253 K254 F255 K261	S253-H257 VanDerWaalsContact O-CB 3.3Å; S253-H257 WeakPolarHBondContact O-CB 3.41Å; S253-H257 PolarHBondContact O-N 2.94Å; K254-H257 PolarHBondContact O-N 3.5Å; F255-H257 VanDerWaalsContact C-N 3.32Å; F255-H257 PolarHBondContact O-N 3.29Å; H257-K261 WeakPolarHBondContact O-CG 3.2Å; H257-K261 PolarHBondContact O-N 3.25Å
258	S	62	Low	60.8	Low	18 Å²	18	74.1 Å²	74.1	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-76.9	-34.8	179.2	-165.7	0	0	0	0	111	K254 F255 I256 K261 H262 D263 T266	K254-S258 WeakPolarHBondContact O-CB 3.47Å; K254-S258 PolarHBondContact O-N 3.23Å; F255-S258 PolarHBondContact O-N 3.49Å; I256-S258 PolarHBondContact O-N 3.39Å; S258-K261 CarbonylContact O-C 3.54Å; S258-K261 WeakPolarHBondContact O-CA 3.32Å; S258-K261 WeakPolarHBondContact O-CB 3.31Å; S258-K261 PolarHBondContact O-N 3.45Å; S258-K261 VanDerWaalsContact O-N 3.1Å; S258-H262 PolarHBondContact O-N 3.32Å; S258-D263 PolarHBondContact O-N 3.38Å; S258-T266 WeakPolarHBondContact OG-CG2 3.41Å
259	F	58.7	Low	61.3	Low	60 Å²	60	69.5 Å²	69.5	26%	0.263	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-45.7	172.6	-178.7	-97.6	0	0	0	111.1	P162 L163 F255 I256 K261 H262	P162-F259 HydrophobicContact CB-CD2 3.79Å; P162-F259 HydrophobicContact CB-CE1 4.33Å; P162-F259 HydrophobicContact CB-CE2 3.25Å; P162-F259 HydrophobicContact CB-CZ 3.57Å; P162-F259 HydrophobicContact CG-CD2 4.41Å; P162-F259 HydrophobicContact CG-CE2 3.41Å; P162-F259 VanDerWaalsContact CG-CE2 3.41Å; P162-F259 HydrophobicContact CG-CZ 3.49Å; P162-F259 VanDerWaalsContact CG-CZ 3.49Å; L163-F259 HydrophobicContact CD2-CD1 4.27Å; L163-F259 HydrophobicContact CD2-CG 4.43Å; L163-F259 HydrophobicContact CG-CD1 4.48Å; F255-F259 WeakPolarHBondContact O-CB 3.38Å; F255-F259 PolarHBondContact O-N 3.24Å; I256-F259 PolarHBondContact O-N 3.47Å; F259-K261 PolarHBondContact O-N 3.44Å; F259-K261 VanDerWaalsContact O-N 3.09Å; F259-H262 PolarHBondContact O-N 3.01Å
260	N	59.4	Low	62.6	Low	109 Å²	109	66 Å²	66	58%	0.583	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15	173.5	-70.9	-19.5	0	0	0	113.5	I256	I256-N260 WeakPolarHBondContact O-CB 3.48Å; I256-N260 VanDerWaalsContact O-CG 3.22Å; I256-N260 PolarHBondContact O-N 3.43Å; I256-N260 PolarHBondContact O-ND2 2.96Å
261	K	61.7	Low	64.3	Low	148 Å²	148	65.2 Å²	65.2	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.2	173.3	-81.6	-179.7	170.2	173.7	0	113.6	H257 S258 F259 D263	H257-K261 WeakPolarHBondContact O-CG 3.2Å; H257-K261 PolarHBondContact O-N 3.25Å; S258-K261 CarbonylContact O-C 3.54Å; S258-K261 WeakPolarHBondContact O-CA 3.32Å; S258-K261 WeakPolarHBondContact O-CB 3.31Å; S258-K261 PolarHBondContact O-N 3.45Å; S258-K261 VanDerWaalsContact O-N 3.1Å; F259-K261 PolarHBondContact O-N 3.44Å; F259-K261 VanDerWaalsContact O-N 3.09Å; K261-D263 VanDerWaalsContact C-N 3.33Å; K261-D263 PolarHBondContact O-N 2.99Å
262	H	52.8	Low	66	Low	143 Å²	143	58.4 Å²	58.4	66%	0.662	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	45.7	-174.7	-60.2	-73.2	0	0	0	113.2	S258 F259	S258-H262 PolarHBondContact O-N 3.32Å; F259-H262 PolarHBondContact O-N 3.01Å
263	D	59.3	Low	67.6	Low	75 Å²	75	54.8 Å²	54.8	40%	0.401	28%	0.279	S	S	.	.			trans	-91.6	111.8	174.9	-173.4	-13.4	0	0	0	110.3	S258 K261 S265 T266	S258-D263 PolarHBondContact O-N 3.38Å; K261-D263 VanDerWaalsContact C-N 3.33Å; K261-D263 PolarHBondContact O-N 2.99Å; D263-S265 PolarHBondContact O-N 3.36Å; D263-S265 VanDerWaalsContact OD1-CB 3.26Å; D263-S265 WeakPolarHBondContact OD1-CB 3.12Å; D263-S265 PolarHBondContact OD1-N 3.3Å; D263-S265 PolarHBondContact OD1-OG 3.02Å; D263-S265 PolarHBondContact OD2-OG 3.48Å; D263-T266 WeakPolarHBondContact O-CG2 3.45Å; D263-T266 PolarHBondContact O-N 2.86Å; D263-T266 PolarHBondContact O-OG1 2.89Å; D263-T266 VanDerWaalsContact O-OG1 3.07Å
264	D	53	Low	69.3	Low	124 Å²	124	50.9 Å²	50.9	66%	0.663	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-7.6	177.7	-71.4	-18.6	0	0	0	114	T266	D264-T266 VanDerWaalsContact C-N 3.25Å; D264-T266 PolarHBondContact O-N 2.87Å
265	S	56.3	Low	70.8	Confident	41 Å²	41	47.1 Å²	47.1	29%	0.287	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.5	171.8	73.8	0	0	0	0	114.3	D263 C267	D263-S265 PolarHBondContact O-N 3.36Å; D263-S265 VanDerWaalsContact OD1-CB 3.26Å; D263-S265 WeakPolarHBondContact OD1-CB 3.12Å; D263-S265 PolarHBondContact OD1-N 3.3Å; D263-S265 PolarHBondContact OD1-OG 3.02Å; D263-S265 PolarHBondContact OD2-OG 3.48Å; S265-C267 PolarHBondContact O-N 3.3Å
266	T	65.2	Low	72.3	Confident	20 Å²	20	47.1 Å²	47.1	12%	0.123	23%	0.234	C	C	.	.			trans	-76.7	115.5	179	50.8	0	0	0	0	113.8	S258 D263 D264	S258-T266 WeakPolarHBondContact OG-CG2 3.41Å; D263-T266 WeakPolarHBondContact O-CG2 3.45Å; D263-T266 PolarHBondContact O-N 2.86Å; D263-T266 PolarHBondContact O-OG1 2.89Å; D263-T266 VanDerWaalsContact O-OG1 3.07Å; D264-T266 VanDerWaalsContact C-N 3.25Å; D264-T266 PolarHBondContact O-N 2.87Å
267	C	75.5	Confident	74	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.234	C	C	.	.			trans	-112.4	149.2	172.7	-74.8	0	0	0	0	111.2	H201 N247 F255 S265 K412 C413	H201-C267 PolarHBondContact CE1-SG 3.37Å; N247-C267 WeakPolarHBondContact ND2-CB 3.28Å; F255-C267 VanDerWaalsContact CD2-O 3.22Å; F255-C267 WeakPolarHBondContact CD2-O 3.09Å; S265-C267 PolarHBondContact O-N 3.3Å; C267-K412 VanDerWaalsContact SG-C 3.52Å; C267-C413 WeakPolarHBondContact CA-SG 3.34Å; C267-C413 HydrophobicContact CB-CB 4.08Å; C267-C413 WeakPolarHBondContact CB-SG 3.39Å; C267-C413 WeakPolarHBondContact SG-CB 3.37Å; C267-C413 PolarHBondContact SG-N 3.3Å; C267-C413 VanDerWaalsContact SG-N 3.39Å; C267-C413 CovalentContact SG-SG 2Å; C267-C413 PolarHBondContact SG-SG 3.01Å
268	P	76.2	Confident	75.7	Confident	12 Å²	12	41.6 Å²	41.6	8%	0.078	21%	0.209	C	C	.	.			trans	-49.4	143.7	163.8	-25.9	35	0	0	0	109.2	Q165 W270 I405	Q165-P268 HydrophobicContact CG-CG 4.45Å; P268-W270 VanDerWaalsContact C-N 3.3Å; P268-W270 PolarHBondContact O-N 3.16Å; P268-I405 VanDerWaalsContact CD-CG2 3.46Å; P268-I405 HydrophobicContact CG-CB 3.75Å; P268-I405 HydrophobicContact CG-CG2 3.97Å; P268-I405 WeakPolarHBondContact CG-O 3.4Å
269	P	70.8	Confident	77.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-65.9	-38	-171.1	28.7	-36.4	0	0	0	110.9	W167 N247	W167-P269 HydrophobicContact CH2-CG 3.86Å; W167-P269 HydrophobicContact CZ2-CG 3.61Å; N247-P269 WeakPolarHBondContact CB-O 3.21Å; N247-P269 PolarHBondContact N-O 2.96Å
270	W	80.7	Confident	79	Confident	33 Å²	33	38.4 Å²	38.4	13%	0.125	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-148	156	-175.2	-48.1	-64.6	0	0	0	113.6	W176 A245 P268 H1079	W176-W270 HydrophobicContact CE3-CE3 4.07Å; W176-W270 HydrophobicContact CH2-CB 4.21Å; W176-W270 AromaticContact CH2-CE3 3.92Å; W176-W270 HydrophobicContact CH2-CE3 3.92Å; W176-W270 HydrophobicContact CZ2-CB 4.35Å; W176-W270 AromaticContact CZ3-CE3 3.48Å; W176-W270 HydrophobicContact CZ3-CE3 3.48Å; W176-W270 VanDerWaalsContact CZ3-CE3 3.48Å; W176-W270 HydrophobicContact CZ3-CZ3 4.05Å; A245-W270 CarbonylContact O-C 3.49Å; A245-W270 VanDerWaalsContact O-CA 3.29Å; A245-W270 WeakPolarHBondContact O-CA 3.49Å; P268-W270 VanDerWaalsContact C-N 3.3Å; P268-W270 PolarHBondContact O-N 3.16Å; W270-H1079 AromaticContact CD2-CE1 3.33Å; W270-H1079 AromaticContact CD2-ND1 3.83Å; W270-H1079 AromaticContact CE2-CE1 2.98Å; W270-H1079 AromaticContact CE2-ND1 3.05Å; W270-H1079 AromaticContact CE3-CE1 3.54Å; W270-H1079 AromaticContact CH2-CE1 3.16Å; W270-H1079 WeakPolarHBondContact CH2-CE1 3.45Å; W270-H1079 AromaticContact CH2-ND1 3.74Å; W270-H1079 AromaticContact CZ2-CE1 2.94Å; W270-H1079 WeakPolarHBondContact CZ2-CE1 3.48Å; W270-H1079 AromaticContact CZ2-ND1 3.03Å; W270-H1079 WeakPolarHBondContact CZ2-ND1 3.46Å; W270-H1079 AromaticContact CZ3-CE1 3.45Å; W270-H1079 VanDerWaalsContact CZ3-CE1 3.45Å; W270-H1079 WeakPolarHBondContact CZ3-CE1 3.42Å; W270-H1079 AromaticContact NE1-CE1 3.64Å; W270-H1079 AromaticContact NE1-ND1 3.29Å; W270-H1079 PolarHBondContact NE1-ND1 3.05Å
271	G	91.5	Very high	80.6	Confident	2 Å²	2	33.2 Å²	33.2	2%	0.021	17%	0.166	C	C	.	.			trans	-75.6	172	157.6	0	0	0	0	0	111.1	W176 G241 L242 I243 A245	W176-G271 WeakPolarHBondContact CZ2-O 3.5Å; G241-G271 WeakPolarHBondContact O-CA 3.29Å; L242-G271 VanDerWaalsContact O-CA 3.24Å; L242-G271 WeakPolarHBondContact O-CA 3.38Å; I243-G271 CarbonylContact O-C 3.52Å; A245-G271 PolarHBondContact O-N 3.29Å
272	F	94.9	Very high	82	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.018	14%	0.137	C	C	.	.	S	Bend	trans	-66.5	-42.5	-176.6	-81.9	-97.8	0	0	0	113.9	P166 W167 L170 A172 W176 L242 I243 P274 I425 V429 L432	P166-F272 HydrophobicContact CB-CE2 4.18Å; P166-F272 HydrophobicContact CB-CZ 4.1Å; W167-F272 HydrophobicContact CB-CE1 4.4Å; W167-F272 HydrophobicContact CB-CE2 4.03Å; W167-F272 HydrophobicContact CB-CZ 3.98Å; L170-F272 HydrophobicContact CB-CE1 4.01Å; L170-F272 HydrophobicContact CB-CZ 4.37Å; L170-F272 HydrophobicContact CD1-CE1 3.6Å; L170-F272 HydrophobicContact CD1-CZ 3.71Å; L170-F272 HydrophobicContact CG-CE1 4.38Å; L170-F272 HydrophobicContact CG-CZ 4.43Å; A172-F272 HydrophobicContact CB-CD1 3.98Å; A172-F272 HydrophobicContact CB-CE1 4.02Å; W176-F272 PolarHBondContact NE1-O 3.03Å; L242-F272 PolarHBondContact O-N 3.25Å; I243-F272 PolarHBondContact O-N 3.01Å; I243-F272 VanDerWaalsContact O-N 3.15Å; F272-P274 VanDerWaalsContact O-CD 3.27Å; F272-P274 WeakPolarHBondContact O-CD 3.32Å; F272-I425 HydrophobicContact CD2-CG2 4.4Å; F272-I425 HydrophobicContact CE2-CB 4.38Å; F272-I425 HydrophobicContact CE2-CG1 4.37Å; F272-I425 HydrophobicContact CE2-CG2 3.65Å; F272-I425 HydrophobicContact CZ-CG2 3.78Å; F272-V429 HydrophobicContact CD1-CG2 3.83Å; F272-V429 HydrophobicContact CE1-CG2 3.84Å; F272-L432 HydrophobicContact CB-CD1 4.29Å; F272-L432 HydrophobicContact CD1-CD1 4.24Å; F272-L432 WeakPolarHBondContact O-CD1 3.46Å; F272-L432 WeakPolarHBondContact O-CD2 3.43Å
273	A	95.9	Very high	83.7	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.			trans	-120.6	67	-176.7	0	0	0	0	0	110.6	C181 I243 A244 R275 A276 S431 L432	C181-A273 CarbonylContact O-C 3.56Å; C181-A273 WeakPolarHBondContact O-CA 3.43Å; I243-A273 CarbonylContact O-C 3.6Å; I243-A273 WeakPolarHBondContact O-CA 3.5Å; I243-A273 PolarHBondContact O-N 3.39Å; A244-A273 WeakPolarHBondContact CB-O 3.22Å; A273-R275 PolarHBondContact O-N 3.37Å; A273-A276 HydrophobicContact CB-CB 4.12Å; A273-A276 WeakPolarHBondContact O-CB 3.3Å; A273-A276 PolarHBondContact O-N 3.24Å; A273-S431 VanDerWaalsContact CB-CB 3.49Å; A273-L432 HydrophobicContact CB-CD2 4.49Å
274	P	93.1	Very high	84.8	Confident	2 Å²	2	17 Å²	17	1%	0.013	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.4	-173.2	22.6	-32.3	0	0	0	114	C181 N206 Q246 F272 C1078	C181-P274 HydrophobicContact CB-CG 4.32Å; C181-P274 WeakPolarHBondContact O-CD 3.44Å; N206-P274 PolarHBondContact ND2-O 2.89Å; Q246-P274 HydrophobicContact CG-CB 3.66Å; Q246-P274 PolarHBondContact NE2-O 3.44Å; F272-P274 VanDerWaalsContact O-CD 3.27Å; F272-P274 WeakPolarHBondContact O-CD 3.32Å; P274-C1078 HydrophobicContact CG-CB 4.13Å
275	R	93.3	Very high	86	Confident	33 Å²	33	12.4 Å²	12.4	13%	0.125	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	20.2	179.8	-61.1	-166.3	173.9	129.3	-0.1	114.3	C181 G182 N183 N206 A273 Y1077 C1078 S1080	C181-R275 HydrophobicContact CB-CB 3.9Å; C181-R275 HydrophobicContact CB-CG 3.92Å; C181-R275 WeakPolarHBondContact O-CA 3.05Å; C181-R275 PolarHBondContact O-N 3.5Å; G182-R275 CarbonylContact C-O 3.59Å; N183-R275 WeakPolarHBondContact CA-O 3.4Å; N183-R275 PolarHBondContact N-O 3.02Å; N183-R275 WeakPolarHBondContact ND2-CD 3.43Å; N183-R275 WeakPolarHBondContact OD1-CB 3.2Å; N183-R275 VanDerWaalsContact OD1-CD 3.31Å; N183-R275 WeakPolarHBondContact OD1-CD 3.29Å; N206-R275 WeakPolarHBondContact ND2-CA 3.42Å; A273-R275 PolarHBondContact O-N 3.37Å; R275-Y1077 PolarHBondContact NH1-O 3.08Å; R275-Y1077 PolarHBondContact NH2-O 3.38Å; R275-C1078 VanDerWaalsContact NH2-C 3.28Å; R275-C1078 PolarHBondContact NH2-O 3.46Å; R275-S1080 PolarHBondContact NH2-O 3.36Å
276	A	96.3	Very high	86.9	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.			trans	-63.4	146.7	168.1	0	0	0	0	0	111.6	G182 V187 A273 L278	G182-A276 VanDerWaalsContact O-CA 3.31Å; G182-A276 WeakPolarHBondContact O-CA 3.49Å; V187-A276 HydrophobicContact CG2-CB 3.77Å; A273-A276 HydrophobicContact CB-CB 4.12Å; A273-A276 WeakPolarHBondContact O-CB 3.3Å; A273-A276 PolarHBondContact O-N 3.24Å; A276-L278 HydrophobicContact CB-CD2 4.03Å; A276-L278 PolarHBondContact O-N 2.91Å
277	D	97.1	Very high	87.1	Confident	44 Å²	44	16.7 Å²	16.7	24%	0.235	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	102.6	173	-68.6	-19.2	0	0	0	107.7	V185 R186 V187 I208 F279	V185-D277 PolarHBondContact O-N 2.87Å; R186-D277 CarbonylContact C-O 3.35Å; R186-D277 WeakPolarHBondContact CA-O 3.31Å; R186-D277 HydrophobicContact CG-CB 4.18Å; V187-D277 PolarHBondContact N-O 3.2Å; I208-D277 HydrophobicContact CD1-CB 4.28Å; I208-D277 HydrophobicContact CG1-CB 3.7Å; D277-F279 HydrophobicContact CB-CE2 4.27Å; D277-F279 WeakPolarHBondContact O-CD2 3.21Å
278	L	96.5	Very high	86.9	Confident	3 Å²	3	17.2 Å²	17.2	2%	0.016	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.7	-172.3	-52.6	176.9	0	0	0	111.5	V187 I189 N206 I207 I208 E209 T240 I243 A244 A276 I280	V187-L278 HydrophobicContact CB-CD2 4.39Å; I189-L278 HydrophobicContact CD1-CB 4.3Å; I189-L278 HydrophobicContact CD1-CD2 3.9Å; N206-L278 PolarHBondContact O-N 3.38Å; I207-L278 HydrophobicContact CG1-CD1 4.37Å; I208-L278 PolarHBondContact N-O 2.88Å; E209-L278 PolarHBondContact N-O 3.5Å; T240-L278 HydrophobicContact CG2-CD1 3.95Å; I243-L278 HydrophobicContact CG2-CD2 4.5Å; A244-L278 HydrophobicContact CB-CD1 3.78Å; A244-L278 HydrophobicContact CB-CD2 3.71Å; A244-L278 HydrophobicContact CB-CG 4.23Å; A276-L278 HydrophobicContact CB-CD2 4.03Å; A276-L278 PolarHBondContact O-N 2.91Å; L278-I280 HydrophobicContact CB-CD1 4.29Å
279	F	95.7	Very high	86.8	Confident	9 Å²	9	18.3 Å²	18.3	4%	0.039	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.3	170.3	-67.3	-104.8	0	0	0	107.7	R186 V187 G188 I189 I208 E209 D277 F281 R305 L307	R186-F279 HydrophobicContact CB-CD2 4.24Å; R186-F279 HydrophobicContact CB-CE2 3.77Å; R186-F279 HydrophobicContact CG-CE2 3.73Å; R186-F279 HydrophobicContact CG-CZ 4.3Å; V187-F279 PolarHBondContact O-N 2.78Å; G188-F279 WeakPolarHBondContact CA-O 3.35Å; I189-F279 PolarHBondContact N-O 3.17Å; I208-F279 HydrophobicContact CB-CE1 4.28Å; I208-F279 HydrophobicContact CB-CE2 4.04Å; I208-F279 HydrophobicContact CB-CZ 3.92Å; I208-F279 HydrophobicContact CG1-CE2 4.11Å; I208-F279 HydrophobicContact CG1-CZ 4.33Å; I208-F279 HydrophobicContact CG2-CE1 3.93Å; I208-F279 HydrophobicContact CG2-CE2 4.25Å; I208-F279 HydrophobicContact CG2-CZ 3.64Å; E209-F279 HydrophobicContact CB-CD1 3.9Å; E209-F279 HydrophobicContact CB-CE1 4.28Å; E209-F279 HydrophobicContact CG-CD1 4.43Å; E209-F279 HydrophobicContact CG-CE1 4.34Å; D277-F279 HydrophobicContact CB-CE2 4.27Å; D277-F279 WeakPolarHBondContact O-CD2 3.21Å; F279-F281 HydrophobicContact CB-CD2 4.33Å; F279-F281 HydrophobicContact CB-CE2 3.58Å; F279-F281 HydrophobicContact CB-CZ 4.37Å; F279-F281 WeakPolarHBondContact O-CD2 3.4Å; F279-R305 HydrophobicContact CD1-CB 4.45Å; F279-R305 HydrophobicContact CD1-CG 4.28Å; F279-R305 HydrophobicContact CE1-CB 4.15Å; F279-R305 HydrophobicContact CE1-CG 4.03Å; F279-L307 HydrophobicContact CB-CD1 4.41Å; F279-L307 HydrophobicContact CB-CD2 4.09Å; F279-L307 HydrophobicContact CD1-CD2 3.97Å; F279-L307 HydrophobicContact CD2-CD2 3.49Å; F279-L307 VanDerWaalsContact CD2-CD2 3.49Å; F279-L307 HydrophobicContact CE1-CD2 4.29Å; F279-L307 HydrophobicContact CE2-CD2 3.87Å; F279-L307 HydrophobicContact CG-CD2 3.57Å; F279-L307 HydrophobicContact CZ-CD2 4.24Å
280	I	94.5	Very high	87.4	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.3	-176.6	-51.4	-55.5	0	0	0	109.2	I189 L194 I207 E209 R210 T211 T240 L278	I189-I280 HydrophobicContact CB-CD1 4.24Å; I189-I280 HydrophobicContact CD1-CD1 3.86Å; I189-I280 HydrophobicContact CG1-CD1 4.49Å; L194-I280 HydrophobicContact CB-CD1 4.31Å; L194-I280 HydrophobicContact CB-CG1 4.04Å; L194-I280 HydrophobicContact CB-CG2 3.86Å; L194-I280 HydrophobicContact CD2-CD1 3.96Å; L194-I280 HydrophobicContact CD2-CG1 3.85Å; I207-I280 HydrophobicContact CG2-CG1 4.49Å; E209-I280 PolarHBondContact O-N 3.18Å; R210-I280 HydrophobicContact CB-CB 4.49Å; R210-I280 HydrophobicContact CG-CB 4.3Å; R210-I280 HydrophobicContact CG-CG1 4.32Å; T211-I280 PolarHBondContact N-O 2.86Å; T211-I280 PolarHBondContact OG1-O 3.11Å; T211-I280 VanDerWaalsContact OG1-O 3.11Å; T240-I280 HydrophobicContact CG2-CD1 4.32Å; L278-I280 HydrophobicContact CB-CD1 4.29Å
281	F	93.1	Very high	87.5	Confident	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	101.3	176.8	-64.6	-102.9	0	0	0	108.1	I189 F190 D191 W213 F279 V283 A298 Y301 A302 L307	I189-F281 PolarHBondContact O-N 3.43Å; F190-F281 WeakPolarHBondContact CA-O 3.3Å; F190-F281 HydrophobicContact CD1-CB 4.13Å; F190-F281 HydrophobicContact CD1-CG 4.49Å; F190-F281 HydrophobicContact CD2-CB 3.87Å; F190-F281 AromaticContact CD2-CD2 3.75Å; F190-F281 HydrophobicContact CD2-CD2 3.75Å; F190-F281 HydrophobicContact CD2-CE2 4.44Å; F190-F281 AromaticContact CD2-CG 3.85Å; F190-F281 HydrophobicContact CD2-CG 3.85Å; F190-F281 HydrophobicContact CE1-CB 4.32Å; F190-F281 HydrophobicContact CE1-CD1 4.14Å; F190-F281 HydrophobicContact CE1-CG 4.23Å; F190-F281 HydrophobicContact CE2-CB 4.05Å; F190-F281 AromaticContact CE2-CD1 3.93Å; F190-F281 HydrophobicContact CE2-CD1 3.93Å; F190-F281 AromaticContact CE2-CD2 3.39Å; F190-F281 HydrophobicContact CE2-CD2 3.39Å; F190-F281 HydrophobicContact CE2-CE1 4.15Å; F190-F281 AromaticContact CE2-CE2 3.69Å; F190-F281 HydrophobicContact CE2-CE2 3.69Å; F190-F281 AromaticContact CE2-CG 3.54Å; F190-F281 HydrophobicContact CE2-CG 3.54Å; F190-F281 HydrophobicContact CE2-CZ 4.08Å; F190-F281 HydrophobicContact CG-CB 3.91Å; F190-F281 HydrophobicContact CG-CG 4.32Å; F190-F281 HydrophobicContact CZ-CB 4.26Å; F190-F281 AromaticContact CZ-CD1 3.66Å; F190-F281 HydrophobicContact CZ-CD1 3.66Å; F190-F281 HydrophobicContact CZ-CD2 4.02Å; F190-F281 AromaticContact CZ-CE1 3.86Å; F190-F281 HydrophobicContact CZ-CE1 3.86Å; F190-F281 HydrophobicContact CZ-CE2 4.24Å; F190-F281 AromaticContact CZ-CG 3.74Å; F190-F281 HydrophobicContact CZ-CG 3.74Å; F190-F281 HydrophobicContact CZ-CZ 4.18Å; D191-F281 PolarHBondContact N-O 3.03Å; W213-F281 AromaticContact NE1-CD1 3.47Å; F279-F281 HydrophobicContact CB-CD2 4.33Å; F279-F281 HydrophobicContact CB-CE2 3.58Å; F279-F281 HydrophobicContact CB-CZ 4.37Å; F279-F281 WeakPolarHBondContact O-CD2 3.4Å; F281-V283 HydrophobicContact CB-CG1 4.27Å; F281-V283 PolarHBondContact O-N 3.37Å; F281-A298 HydrophobicContact CD1-CB 3.76Å; F281-A298 HydrophobicContact CE1-CB 4.32Å; F281-A298 WeakPolarHBondContact CE1-O 3.5Å; F281-Y301 AromaticContact CE1-CD1 3.58Å; F281-Y301 HydrophobicContact CE1-CD1 3.58Å; F281-Y301 HydrophobicContact CE1-CE1 4.49Å; F281-Y301 HydrophobicContact CE1-CG 4.36Å; F281-Y301 AromaticContact CZ-CD1 3.95Å; F281-Y301 HydrophobicContact CZ-CD1 3.95Å; F281-A302 HydrophobicContact CE1-CB 4.42Å; F281-A302 HydrophobicContact CZ-CB 4.04Å; F281-L307 HydrophobicContact CE2-CD1 3.64Å; F281-L307 HydrophobicContact CZ-CD1 3.84Å
282	R	90.3	Very high	87.3	Confident	14 Å²	14	19.5 Å²	19.5	5%	0.053	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	102.8	167.9	177.5	172	163.5	106.2	-5.6	108	D191 T192 T211 D212 W213 T214 A229 L230 D286	D191-R282 VanDerWaalsContact O-CA 3.32Å; D191-R282 WeakPolarHBondContact O-CA 3.46Å; T192-R282 PolarHBondContact O-NH1 2.68Å; T211-R282 PolarHBondContact O-N 3.01Å; D212-R282 HydrophobicContact CB-CB 4.41Å; D212-R282 IonicContact OD1-NE 2.84Å; D212-R282 WeakPolarHBondContact OD2-CD 3.13Å; D212-R282 IonicContact OD2-NE 2.61Å; D212-R282 PolarHBondContact OD2-NE 2.85Å; W213-R282 PolarHBondContact N-O 2.77Å; T214-R282 HydrophobicContact CG2-CG 4.03Å; A229-R282 HydrophobicContact CB-CB 3.85Å; L230-R282 PolarHBondContact O-NH1 3.31Å; R282-D286 IonicContact CZ-OD1 3.92Å; R282-D286 VanDerWaalsContact CZ-OD1 3.25Å; R282-D286 IonicContact NH1-OD1 2.66Å; R282-D286 PolarHBondContact NH1-OD1 3.24Å; R282-D286 IonicContact NH2-OD1 3.48Å; R282-D286 PolarHBondContact NH2-OD1 2.76Å; R282-D286 IonicContact NH2-OD2 3.64Å; R282-D286 PolarHBondContact NH2-OD2 3.16Å
283	V	87.6	Confident	87.1	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.			trans	-115.5	0.9	178.5	-64.9	0	0	0	0	112	F190 D191 W213 F281 F290 F295 A298	F190-V283 HydrophobicContact CB-CG2 4.08Å; F190-V283 HydrophobicContact CD1-CG1 4.05Å; F190-V283 HydrophobicContact CD1-CG2 4.26Å; D191-V283 PolarHBondContact O-N 2.96Å; D191-V283 VanDerWaalsContact O-N 3.12Å; W213-V283 HydrophobicContact CB-CG1 4.22Å; W213-V283 HydrophobicContact CG-CG1 4.24Å; F281-V283 HydrophobicContact CB-CG1 4.27Å; F281-V283 PolarHBondContact O-N 3.37Å; V283-F290 WeakPolarHBondContact O-CB 3.4Å; V283-F295 HydrophobicContact CB-CE2 4.17Å; V283-F295 HydrophobicContact CB-CZ 4.17Å; V283-F295 HydrophobicContact CG2-CE1 3.83Å; V283-F295 HydrophobicContact CG2-CE2 3.92Å; V283-F295 HydrophobicContact CG2-CZ 3.45Å; V283-F295 VanDerWaalsContact CG2-CZ 3.45Å; V283-A298 HydrophobicContact CG1-CB 3.8Å
284	F	82.8	Confident	86.7	Confident	10 Å²	10	21.4 Å²	21.4	4%	0.044	11%	0.107	C	C	.	.	S	Bend	trans	-120.2	136.2	175.6	-64.1	-86.8	0	0	0	110.5	D191 T192 T214 I289 F290 F295 I314	D191-F284 VanDerWaalsContact C-CD2 3.5Å; T192-F284 HydrophobicContact CG2-CB 3.8Å; T214-F284 VanDerWaalsContact CG2-C 3.44Å; T214-F284 WeakPolarHBondContact CG2-O 3.46Å; F284-I289 WeakPolarHBondContact CA-O 3.44Å; F284-F290 HydrophobicContact CD1-CB 3.89Å; F284-F290 AromaticContact CD1-CD1 3.66Å; F284-F290 HydrophobicContact CD1-CD1 3.66Å; F284-F290 HydrophobicContact CD1-CE1 4.45Å; F284-F290 HydrophobicContact CD1-CG 4.13Å; F284-F290 HydrophobicContact CE1-CB 3.97Å; F284-F290 AromaticContact CE1-CD1 3.18Å; F284-F290 HydrophobicContact CE1-CD1 3.18Å; F284-F290 AromaticContact CE1-CE1 3.61Å; F284-F290 HydrophobicContact CE1-CE1 3.61Å; F284-F290 AromaticContact CE1-CG 3.75Å; F284-F290 HydrophobicContact CE1-CG 3.75Å; F284-F290 HydrophobicContact CE1-CZ 4.49Å; F284-F290 HydrophobicContact CZ-CD1 4.17Å; F284-F290 HydrophobicContact CZ-CE1 4.4Å; F284-F290 HydrophobicContact CZ-CG 4.49Å; F284-F295 AromaticContact CE2-CZ 3.93Å; F284-F295 HydrophobicContact CE2-CZ 3.93Å; F284-F295 HydrophobicContact CZ-CE2 4.2Å; F284-F295 AromaticContact CZ-CZ 3.74Å; F284-F295 HydrophobicContact CZ-CZ 3.74Å; F284-I314 HydrophobicContact CD1-CD1 4.46Å; F284-I314 HydrophobicContact CE1-CD1 3.24Å; F284-I314 HydrophobicContact CE2-CG2 4.45Å; F284-I314 HydrophobicContact CZ-CB 4.03Å; F284-I314 HydrophobicContact CZ-CD1 3.35Å; F284-I314 HydrophobicContact CZ-CG1 4.26Å; F284-I314 HydrophobicContact CZ-CG2 3.75Å
285	T	77.7	Confident	86.6	Confident	28 Å²	28	21.3 Å²	21.3	17%	0.172	11%	0.107	C	C	.	.			trans	-67.2	172.5	167.6	69.2	0	0	0	0	110.6	T214 T287 Q288 I289 W294	T214-T285 HydrophobicContact CG2-CG2 4.44Å; T285-T287 PolarHBondContact O-N 2.89Å; T285-T287 PolarHBondContact OG1-N 3.42Å; T285-T287 PolarHBondContact OG1-OG1 3.3Å; T285-Q288 WeakPolarHBondContact O-CA 3.43Å; T285-Q288 PolarHBondContact O-N 2.99Å; T285-I289 HydrophobicContact CG2-CB 4.22Å; T285-I289 PolarHBondContact N-O 2.75Å; T285-I289 WeakPolarHBondContact OG1-CB 2.96Å; T285-I289 PolarHBondContact OG1-N 3.01Å; T285-W294 HydrophobicContact CG2-CH2 3.85Å; T285-W294 HydrophobicContact CG2-CZ3 3.96Å
286	D	77	Confident	86.5	Confident	62 Å²	62	19.9 Å²	19.9	33%	0.332	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.6	176.6	-55.8	-41.8	0	0	0	113	R232 R282 Q288	R232-D286 HydrophobicContact CB-CB 4.37Å; R232-D286 VanDerWaalsContact CB-OD1 3.27Å; R232-D286 WeakPolarHBondContact CB-OD1 3.49Å; R232-D286 WeakPolarHBondContact CD-OD2 3.48Å; R232-D286 WeakPolarHBondContact CG-OD1 3.3Å; R282-D286 IonicContact CZ-OD1 3.92Å; R282-D286 VanDerWaalsContact CZ-OD1 3.25Å; R282-D286 IonicContact NH1-OD1 2.66Å; R282-D286 PolarHBondContact NH1-OD1 3.24Å; R282-D286 IonicContact NH2-OD1 3.48Å; R282-D286 PolarHBondContact NH2-OD1 2.76Å; R282-D286 IonicContact NH2-OD2 3.64Å; R282-D286 PolarHBondContact NH2-OD2 3.16Å; D286-Q288 VanDerWaalsContact C-N 3.32Å
287	T	68.3	Low	86.2	Confident	89 Å²	89	20.6 Å²	20.6	55%	0.546	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	14.4	171.3	62.3	0	0	0	0	112.6	N118 T285 I289	N118-T287 PolarHBondContact OD1-O 2.94Å; T285-T287 PolarHBondContact O-N 2.89Å; T285-T287 PolarHBondContact OG1-N 3.42Å; T285-T287 PolarHBondContact OG1-OG1 3.3Å; T287-I289 PolarHBondContact O-N 3.35Å; T287-I289 VanDerWaalsContact OG1-CD1 3.3Å; T287-I289 WeakPolarHBondContact OG1-CD1 3.46Å; T287-I289 WeakPolarHBondContact OG1-CG1 3.25Å
288	Q	71.8	Confident	85.9	Confident	14 Å²	14	18.5 Å²	18.5	7%	0.065	9%	0.094	C	C	.	.			trans	57.9	29.8	-179.2	-56.9	179.9	9.2	0	0	115	R119 L121 H233 T285 D286	R119-Q288 HydrophobicContact CB-CB 4.3Å; R119-Q288 PolarHBondContact N-O 3.29Å; R119-Q288 VanDerWaalsContact O-CB 3.3Å; R119-Q288 WeakPolarHBondContact O-CB 3.17Å; R119-Q288 PolarHBondContact O-OE1 3Å; L121-Q288 VanDerWaalsContact CD1-NE2 3.34Å; H233-Q288 PolarHBondContact CE1-NE2 3.29Å; H233-Q288 PolarHBondContact ND1-NE2 3.27Å; H233-Q288 PolarHBondContact NE2-NE2 2.81Å; T285-Q288 WeakPolarHBondContact O-CA 3.43Å; T285-Q288 PolarHBondContact O-N 2.99Å; D286-Q288 VanDerWaalsContact C-N 3.32Å
289	I	74.5	Confident	85.8	Confident	34 Å²	34	18.3 Å²	18.3	17%	0.174	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.2	171.8	-62.1	170.1	0	0	0	108.6	Q116 I117 N118 F284 T285 T287 Y291	Q116-I289 HydrophobicContact CG-CG2 3.53Å; Q116-I289 VanDerWaalsContact NE2-CG2 3.33Å; I117-I289 WeakPolarHBondContact O-CA 3.34Å; N118-I289 HydrophobicContact CB-CG1 4.21Å; F284-I289 WeakPolarHBondContact CA-O 3.44Å; T285-I289 HydrophobicContact CG2-CB 4.22Å; T285-I289 PolarHBondContact N-O 2.75Å; T285-I289 WeakPolarHBondContact OG1-CB 2.96Å; T285-I289 PolarHBondContact OG1-N 3.01Å; T287-I289 PolarHBondContact O-N 3.35Å; T287-I289 VanDerWaalsContact OG1-CD1 3.3Å; T287-I289 WeakPolarHBondContact OG1-CD1 3.46Å; T287-I289 WeakPolarHBondContact OG1-CG1 3.25Å; I289-Y291 HydrophobicContact CG2-CE2 4.25Å
290	F	82.4	Confident	85.6	Confident	9 Å²	9	18.9 Å²	18.9	4%	0.039	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	166.1	169.9	66.3	-84.9	0	0	0	111.6	Q116 I117 V283 F284 W294 F295 I314	Q116-F290 CarbonylContact C-O 3.52Å; Q116-F290 VanDerWaalsContact CA-O 3.24Å; Q116-F290 WeakPolarHBondContact CA-O 3.44Å; I117-F290 HydrophobicContact CB-CD1 3.8Å; I117-F290 HydrophobicContact CB-CD2 4.15Å; I117-F290 HydrophobicContact CB-CE1 3.34Å; I117-F290 HydrophobicContact CB-CE2 3.74Å; I117-F290 HydrophobicContact CB-CG 4.24Å; I117-F290 HydrophobicContact CB-CZ 3.34Å; I117-F290 HydrophobicContact CD1-CD2 4.26Å; I117-F290 HydrophobicContact CD1-CE1 4.29Å; I117-F290 HydrophobicContact CD1-CE2 3.3Å; I117-F290 HydrophobicContact CD1-CZ 3.35Å; I117-F290 HydrophobicContact CG1-CE1 4.37Å; I117-F290 HydrophobicContact CG1-CE2 3.99Å; I117-F290 HydrophobicContact CG1-CZ 3.88Å; I117-F290 HydrophobicContact CG2-CD1 4.07Å; I117-F290 HydrophobicContact CG2-CE1 3.23Å; I117-F290 HydrophobicContact CG2-CE2 4.31Å; I117-F290 HydrophobicContact CG2-CZ 3.41Å; I117-F290 VanDerWaalsContact CG2-CZ 3.41Å; I117-F290 PolarHBondContact N-O 3.09Å; I117-F290 WeakPolarHBondContact O-CD1 3.44Å; I117-F290 PolarHBondContact O-N 2.96Å; V283-F290 WeakPolarHBondContact O-CB 3.4Å; F284-F290 HydrophobicContact CD1-CB 3.89Å; F284-F290 AromaticContact CD1-CD1 3.66Å; F284-F290 HydrophobicContact CD1-CD1 3.66Å; F284-F290 HydrophobicContact CD1-CE1 4.45Å; F284-F290 HydrophobicContact CD1-CG 4.13Å; F284-F290 HydrophobicContact CE1-CB 3.97Å; F284-F290 AromaticContact CE1-CD1 3.18Å; F284-F290 HydrophobicContact CE1-CD1 3.18Å; F284-F290 AromaticContact CE1-CE1 3.61Å; F284-F290 HydrophobicContact CE1-CE1 3.61Å; F284-F290 AromaticContact CE1-CG 3.75Å; F284-F290 HydrophobicContact CE1-CG 3.75Å; F284-F290 HydrophobicContact CE1-CZ 4.49Å; F284-F290 HydrophobicContact CZ-CD1 4.17Å; F284-F290 HydrophobicContact CZ-CE1 4.4Å; F284-F290 HydrophobicContact CZ-CG 4.49Å; F290-W294 HydrophobicContact CB-CE3 4.38Å; F290-F295 HydrophobicContact CB-CD2 4.45Å; F290-F295 HydrophobicContact CB-CE2 3.85Å; F290-F295 AromaticContact CD2-CD2 3.57Å; F290-F295 HydrophobicContact CD2-CD2 3.57Å; F290-F295 AromaticContact CD2-CE2 3.23Å; F290-F295 HydrophobicContact CD2-CE2 3.23Å; F290-F295 HydrophobicContact CD2-CZ 4.37Å; F290-F295 HydrophobicContact CE2-CD2 4.07Å; F290-F295 AromaticContact CE2-CE2 3.72Å; F290-F295 HydrophobicContact CE2-CE2 3.72Å; F290-F295 HydrophobicContact CG-CD2 4.35Å; F290-F295 AromaticContact CG-CE2 3.69Å; F290-F295 HydrophobicContact CG-CE2 3.69Å; F290-I314 HydrophobicContact CD1-CD1 4.29Å; F290-I314 HydrophobicContact CE1-CD1 3.51Å; F290-I314 HydrophobicContact CZ-CD1 4.01Å
291	Y	84.3	Confident	85.4	Confident	51 Å²	51	19.2 Å²	19.2	20%	0.2	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.1	172.6	-64.5	-100.7	0	0	0	110.8	V31 Q114 K115 Q116 I289 S293 W294 F295	V31-Y291 HydrophobicContact CG2-CD1 3.83Å; V31-Y291 HydrophobicContact CG2-CE1 3.5Å; V31-Y291 VanDerWaalsContact CG2-CE1 3.5Å; Q114-Y291 HydrophobicContact CG-CD1 4.1Å; K115-Y291 CarbonylContact O-C 3.08Å; K115-Y291 WeakPolarHBondContact O-CA 3.32Å; Q116-Y291 HydrophobicContact CB-CD1 3.57Å; Q116-Y291 HydrophobicContact CB-CE1 3.43Å; Q116-Y291 VanDerWaalsContact CB-CE1 3.43Å; Q116-Y291 HydrophobicContact CB-CG 4.29Å; Q116-Y291 HydrophobicContact CG-CD1 4.18Å; Q116-Y291 HydrophobicContact CG-CE1 3.77Å; Q116-Y291 HydrophobicContact CG-CE2 4.31Å; Q116-Y291 PolarHBondContact OE1-OH 3.31Å; I289-Y291 HydrophobicContact CG2-CE2 4.25Å; Y291-S293 VanDerWaalsContact C-N 3.3Å; Y291-S293 PolarHBondContact O-N 3.31Å; Y291-W294 AromaticContact CD2-CD2 3.68Å; Y291-W294 HydrophobicContact CD2-CD2 3.68Å; Y291-W294 AromaticContact CD2-CE2 3.36Å; Y291-W294 AromaticContact CD2-CE3 3.8Å; Y291-W294 HydrophobicContact CD2-CE3 3.8Å; Y291-W294 AromaticContact CD2-CH2 3.4Å; Y291-W294 HydrophobicContact CD2-CH2 3.4Å; Y291-W294 VanDerWaalsContact CD2-CH2 3.4Å; Y291-W294 AromaticContact CD2-CZ2 3.25Å; Y291-W294 HydrophobicContact CD2-CZ2 3.25Å; Y291-W294 AromaticContact CD2-CZ3 3.67Å; Y291-W294 HydrophobicContact CD2-CZ3 3.67Å; Y291-W294 AromaticContact CE2-CH2 3.5Å; Y291-W294 HydrophobicContact CE2-CH2 3.5Å; Y291-W294 AromaticContact CE2-CZ2 3.46Å; Y291-W294 HydrophobicContact CE2-CZ2 3.46Å; Y291-W294 VanDerWaalsContact CE2-CZ2 3.46Å; Y291-W294 HydrophobicContact CE2-CZ3 4.13Å; Y291-W294 HydrophobicContact CG-CD2 4.3Å; Y291-W294 HydrophobicContact CG-CZ2 4.36Å; Y291-W294 WeakPolarHBondContact O-CB 3.35Å; Y291-W294 PolarHBondContact O-N 3.1Å; Y291-W294 VanDerWaalsContact O-N 3.14Å; Y291-F295 PolarHBondContact O-N 3.39Å
292	T	86.7	Confident	85.4	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-54.1	-48.1	174.4	-58.4	0	0	0	0	111.2	I36 K115 W294 F295 L296 D321 P323 F324	I36-T292 HydrophobicContact CD1-CG2 3.53Å; K115-T292 WeakPolarHBondContact CB-OG1 3.4Å; K115-T292 PolarHBondContact O-N 3.47Å; T292-W294 PolarHBondContact O-N 3.34Å; T292-F295 WeakPolarHBondContact O-CB 3.49Å; T292-F295 PolarHBondContact O-N 2.87Å; T292-L296 HydrophobicContact CG2-CD1 4.05Å; T292-L296 HydrophobicContact CG2-CD2 4.49Å; T292-L296 HydrophobicContact CG2-CG 4.05Å; T292-L296 WeakPolarHBondContact O-CG 3.47Å; T292-L296 PolarHBondContact O-N 3.39Å; T292-D321 VanDerWaalsContact CB-OD2 3.29Å; T292-D321 WeakPolarHBondContact CB-OD2 3.03Å; T292-D321 WeakPolarHBondContact CG2-OD2 3.48Å; T292-D321 PolarHBondContact OG1-OD2 3.45Å; T292-P323 HydrophobicContact CG2-CB 4.29Å; T292-F324 HydrophobicContact CG2-CB 4.35Å
293	S	89.3	Confident	85.5	Confident	6 Å²	6	19.8 Å²	19.8	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-55.7	-38.8	-179.1	69	0	0	0	0	112.5	F82 Q114 Y291 F295 L296 D297	F82-S293 WeakPolarHBondContact CZ-O 3.37Å; Q114-S293 VanDerWaalsContact NE2-CB 3.35Å; Q114-S293 PolarHBondContact NE2-OG 2.84Å; Q114-S293 VanDerWaalsContact OE1-CB 3.27Å; Q114-S293 VanDerWaalsContact OE1-N 3.1Å; Y291-S293 VanDerWaalsContact C-N 3.3Å; Y291-S293 PolarHBondContact O-N 3.31Å; S293-F295 VanDerWaalsContact C-N 3.32Å; S293-F295 PolarHBondContact O-N 3.21Å; S293-L296 PolarHBondContact O-N 2.86Å; S293-D297 VanDerWaalsContact O-CB 3.22Å; S293-D297 WeakPolarHBondContact O-CB 3.2Å; S293-D297 PolarHBondContact O-N 3.49Å
294	W	89.2	Confident	85.6	Confident	38 Å²	38	22.5 Å²	22.5	14%	0.144	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-41	178.8	-61.8	-9.2	0	0	0	111.5	W213 T214 T285 F290 Y291 T292 D297 A298	W213-W294 HydrophobicContact CB-CB 4.21Å; W213-W294 VanDerWaalsContact O-CD1 3.3Å; W213-W294 VanDerWaalsContact O-CD2 3.32Å; W213-W294 VanDerWaalsContact O-CE2 3.31Å; W213-W294 VanDerWaalsContact O-CG 3.31Å; W213-W294 PolarHBondContact O-NE1 3.1Å; T214-W294 HydrophobicContact CG2-CE3 3.96Å; T214-W294 HydrophobicContact CG2-CH2 4.19Å; T214-W294 HydrophobicContact CG2-CZ3 3.62Å; T285-W294 HydrophobicContact CG2-CH2 3.85Å; T285-W294 HydrophobicContact CG2-CZ3 3.96Å; F290-W294 HydrophobicContact CB-CE3 4.38Å; Y291-W294 AromaticContact CD2-CD2 3.68Å; Y291-W294 HydrophobicContact CD2-CD2 3.68Å; Y291-W294 AromaticContact CD2-CE2 3.36Å; Y291-W294 AromaticContact CD2-CE3 3.8Å; Y291-W294 HydrophobicContact CD2-CE3 3.8Å; Y291-W294 AromaticContact CD2-CH2 3.4Å; Y291-W294 HydrophobicContact CD2-CH2 3.4Å; Y291-W294 VanDerWaalsContact CD2-CH2 3.4Å; Y291-W294 AromaticContact CD2-CZ2 3.25Å; Y291-W294 HydrophobicContact CD2-CZ2 3.25Å; Y291-W294 AromaticContact CD2-CZ3 3.67Å; Y291-W294 HydrophobicContact CD2-CZ3 3.67Å; Y291-W294 AromaticContact CE2-CH2 3.5Å; Y291-W294 HydrophobicContact CE2-CH2 3.5Å; Y291-W294 AromaticContact CE2-CZ2 3.46Å; Y291-W294 HydrophobicContact CE2-CZ2 3.46Å; Y291-W294 VanDerWaalsContact CE2-CZ2 3.46Å; Y291-W294 HydrophobicContact CE2-CZ3 4.13Å; Y291-W294 HydrophobicContact CG-CD2 4.3Å; Y291-W294 HydrophobicContact CG-CZ2 4.36Å; Y291-W294 WeakPolarHBondContact O-CB 3.35Å; Y291-W294 PolarHBondContact O-N 3.1Å; Y291-W294 VanDerWaalsContact O-N 3.14Å; T292-W294 PolarHBondContact O-N 3.34Å; W294-D297 WeakPolarHBondContact O-CB 3.47Å; W294-A298 WeakPolarHBondContact O-CB 3.49Å; W294-A298 PolarHBondContact O-N 2.99Å
295	F	90.2	Very high	86	Confident	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-46.2	173.4	-87	-83.9	0	0	0	112.2	F190 V283 F284 F290 Y291 T292 S293 D297 A298 F299 L312 F324	F190-F295 HydrophobicContact CB-CE1 4.45Å; F190-F295 HydrophobicContact CD1-CD1 4.08Å; F190-F295 AromaticContact CD1-CE1 3.97Å; F190-F295 HydrophobicContact CD1-CE1 3.97Å; V283-F295 HydrophobicContact CB-CE2 4.17Å; V283-F295 HydrophobicContact CB-CZ 4.17Å; V283-F295 HydrophobicContact CG2-CE1 3.83Å; V283-F295 HydrophobicContact CG2-CE2 3.92Å; V283-F295 HydrophobicContact CG2-CZ 3.45Å; V283-F295 VanDerWaalsContact CG2-CZ 3.45Å; F284-F295 AromaticContact CE2-CZ 3.93Å; F284-F295 HydrophobicContact CE2-CZ 3.93Å; F284-F295 HydrophobicContact CZ-CE2 4.2Å; F284-F295 AromaticContact CZ-CZ 3.74Å; F284-F295 HydrophobicContact CZ-CZ 3.74Å; F290-F295 HydrophobicContact CB-CD2 4.45Å; F290-F295 HydrophobicContact CB-CE2 3.85Å; F290-F295 AromaticContact CD2-CD2 3.57Å; F290-F295 HydrophobicContact CD2-CD2 3.57Å; F290-F295 AromaticContact CD2-CE2 3.23Å; F290-F295 HydrophobicContact CD2-CE2 3.23Å; F290-F295 HydrophobicContact CD2-CZ 4.37Å; F290-F295 HydrophobicContact CE2-CD2 4.07Å; F290-F295 AromaticContact CE2-CE2 3.72Å; F290-F295 HydrophobicContact CE2-CE2 3.72Å; F290-F295 HydrophobicContact CG-CD2 4.35Å; F290-F295 AromaticContact CG-CE2 3.69Å; F290-F295 HydrophobicContact CG-CE2 3.69Å; Y291-F295 PolarHBondContact O-N 3.39Å; T292-F295 WeakPolarHBondContact O-CB 3.49Å; T292-F295 PolarHBondContact O-N 2.87Å; S293-F295 VanDerWaalsContact C-N 3.32Å; S293-F295 PolarHBondContact O-N 3.21Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 2.92Å; F295-A298 PolarHBondContact O-N 2.92Å; F295-F299 HydrophobicContact CB-CD2 4.38Å; F295-F299 HydrophobicContact CB-CE2 4.16Å; F295-F299 HydrophobicContact CD1-CE1 4.15Å; F295-F299 HydrophobicContact CD1-CE2 4.05Å; F295-F299 AromaticContact CD1-CZ 3.69Å; F295-F299 HydrophobicContact CD1-CZ 3.69Å; F295-F299 HydrophobicContact CE1-CZ 4.42Å; F295-F299 WeakPolarHBondContact O-CB 3.46Å; F295-F299 VanDerWaalsContact O-CD2 3.25Å; F295-F299 WeakPolarHBondContact O-CD2 3.3Å; F295-F299 WeakPolarHBondContact O-CG 3.42Å; F295-F299 PolarHBondContact O-N 3.33Å; F295-L312 HydrophobicContact CE1-CD1 3.52Å; F295-L312 HydrophobicContact CZ-CD1 4.07Å; F295-F324 HydrophobicContact CB-CD2 4.01Å; F295-F324 HydrophobicContact CB-CE2 3.94Å; F295-F324 AromaticContact CD1-CE2 3.84Å; F295-F324 HydrophobicContact CD1-CE2 3.84Å; F295-F324 HydrophobicContact CG-CD2 4.35Å; F295-F324 AromaticContact CG-CE2 3.85Å; F295-F324 HydrophobicContact CG-CE2 3.85Å
296	L	91.7	Very high	86.7	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-41.4	178.9	-59.4	-178.1	0	0	0	112	I36 F82 T292 S293 N300 P323 K327	I36-L296 HydrophobicContact CD1-CD1 4.08Å; I36-L296 HydrophobicContact CG2-CD1 3.97Å; F82-L296 HydrophobicContact CD1-CB 4.01Å; F82-L296 HydrophobicContact CD1-CD1 4.21Å; F82-L296 HydrophobicContact CD2-CD1 4.24Å; F82-L296 HydrophobicContact CE1-CB 3.2Å; F82-L296 HydrophobicContact CE1-CD1 4.07Å; F82-L296 HydrophobicContact CE1-CG 4.28Å; F82-L296 HydrophobicContact CE2-CB 4.24Å; F82-L296 HydrophobicContact CE2-CD1 4.09Å; F82-L296 HydrophobicContact CG-CD1 4.29Å; F82-L296 HydrophobicContact CZ-CB 3.34Å; F82-L296 HydrophobicContact CZ-CD1 4.01Å; F82-L296 HydrophobicContact CZ-CG 4.29Å; T292-L296 HydrophobicContact CG2-CD1 4.05Å; T292-L296 HydrophobicContact CG2-CD2 4.49Å; T292-L296 HydrophobicContact CG2-CG 4.05Å; T292-L296 WeakPolarHBondContact O-CG 3.47Å; T292-L296 PolarHBondContact O-N 3.39Å; S293-L296 PolarHBondContact O-N 2.86Å; L296-N300 WeakPolarHBondContact O-CB 3.45Å; L296-N300 PolarHBondContact O-N 3.28Å; L296-N300 PolarHBondContact O-ND2 3.19Å; L296-P323 HydrophobicContact CD1-CB 3.99Å; L296-P323 HydrophobicContact CD2-CB 4.44Å; L296-P323 WeakPolarHBondContact CD2-O 3.38Å; L296-K327 HydrophobicContact CD2-CB 3.46Å; L296-K327 VanDerWaalsContact CD2-CB 3.46Å; L296-K327 HydrophobicContact CD2-CG 3.77Å
297	D	89.2	Confident	87.7	Confident	14 Å²	14	27.8 Å²	27.8	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-56.1	172.7	-109	-49.8	0	0	0	111.8	R68 W213 S293 W294 F295 F299 N300 Y301	R68-D297 IonicContact CZ-OD1 3.74Å; R68-D297 IonicContact CZ-OD2 3.51Å; R68-D297 VanDerWaalsContact NE-CG 3.26Å; R68-D297 IonicContact NE-OD1 2.67Å; R68-D297 PolarHBondContact NE-OD1 3.03Å; R68-D297 VanDerWaalsContact NE-OD1 3.11Å; R68-D297 IonicContact NE-OD2 3.4Å; R68-D297 PolarHBondContact NE-OD2 3.15Å; R68-D297 IonicContact NH2-OD1 2.74Å; R68-D297 PolarHBondContact NH2-OD1 2.84Å; R68-D297 IonicContact NH2-OD2 2.72Å; R68-D297 PolarHBondContact NH2-OD2 2.67Å; W213-D297 HydrophobicContact CD2-CB 4.38Å; W213-D297 HydrophobicContact CE3-CB 3.46Å; W213-D297 VanDerWaalsContact CE3-CB 3.46Å; W213-D297 HydrophobicContact CH2-CB 4.19Å; W213-D297 WeakPolarHBondContact CH2-O 3.32Å; W213-D297 HydrophobicContact CZ3-CB 3.34Å; W213-D297 WeakPolarHBondContact CZ3-OD1 3.49Å; S293-D297 VanDerWaalsContact O-CB 3.22Å; S293-D297 WeakPolarHBondContact O-CB 3.2Å; S293-D297 PolarHBondContact O-N 3.49Å; W294-D297 WeakPolarHBondContact O-CB 3.47Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 2.92Å; D297-F299 VanDerWaalsContact C-N 3.33Å; D297-F299 PolarHBondContact O-N 3.29Å; D297-N300 PolarHBondContact O-N 3.24Å; D297-Y301 PolarHBondContact O-N 2.9Å
298	A	91.2	Very high	89.1	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-37.5	-179.3	0	0	0	0	0	112.1	F190 W213 F281 V283 W294 F295 Y301 A302	F190-A298 HydrophobicContact CD1-CB 4.17Å; F190-A298 HydrophobicContact CE1-CB 3.36Å; F190-A298 HydrophobicContact CZ-CB 3.97Å; W213-A298 HydrophobicContact CD2-CB 4.03Å; W213-A298 HydrophobicContact CG-CB 4.13Å; W213-A298 HydrophobicContact CZ2-CB 4.21Å; F281-A298 HydrophobicContact CD1-CB 3.76Å; F281-A298 HydrophobicContact CE1-CB 4.32Å; F281-A298 WeakPolarHBondContact CE1-O 3.5Å; V283-A298 HydrophobicContact CG1-CB 3.8Å; W294-A298 WeakPolarHBondContact O-CB 3.49Å; W294-A298 PolarHBondContact O-N 2.99Å; F295-A298 PolarHBondContact O-N 2.92Å; A298-Y301 WeakPolarHBondContact O-CB 3.38Å; A298-Y301 PolarHBondContact O-N 3.38Å; A298-A302 WeakPolarHBondContact O-CB 3.3Å; A298-A302 PolarHBondContact O-N 2.87Å
299	F	94	Very high	90.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.1	-44.9	175.2	-71	-24.9	0	0	0	112.6	F190 F295 D297 Y301 A302 I303 I310 F324 K327 V328 L331	F190-F299 HydrophobicContact CD1-CD1 4.2Å; F190-F299 AromaticContact CD1-CE1 3.81Å; F190-F299 HydrophobicContact CD1-CE1 3.81Å; F190-F299 AromaticContact CE1-CD1 3.32Å; F190-F299 HydrophobicContact CE1-CD1 3.32Å; F190-F299 AromaticContact CE1-CE1 3.4Å; F190-F299 HydrophobicContact CE1-CE1 3.4Å; F190-F299 VanDerWaalsContact CE1-CE1 3.4Å; F190-F299 HydrophobicContact CE1-CG 4.38Å; F190-F299 AromaticContact CZ-CD1 3.59Å; F190-F299 HydrophobicContact CZ-CD1 3.59Å; F190-F299 AromaticContact CZ-CE1 3.89Å; F190-F299 HydrophobicContact CZ-CE1 3.89Å; F295-F299 HydrophobicContact CB-CD2 4.38Å; F295-F299 HydrophobicContact CB-CE2 4.16Å; F295-F299 HydrophobicContact CD1-CE1 4.15Å; F295-F299 HydrophobicContact CD1-CE2 4.05Å; F295-F299 AromaticContact CD1-CZ 3.69Å; F295-F299 HydrophobicContact CD1-CZ 3.69Å; F295-F299 HydrophobicContact CE1-CZ 4.42Å; F295-F299 WeakPolarHBondContact O-CB 3.46Å; F295-F299 VanDerWaalsContact O-CD2 3.25Å; F295-F299 WeakPolarHBondContact O-CD2 3.3Å; F295-F299 WeakPolarHBondContact O-CG 3.42Å; F295-F299 PolarHBondContact O-N 3.33Å; D297-F299 VanDerWaalsContact C-N 3.33Å; D297-F299 PolarHBondContact O-N 3.29Å; F299-Y301 PolarHBondContact O-N 3.12Å; F299-A302 WeakPolarHBondContact O-CB 3.45Å; F299-A302 PolarHBondContact O-N 3.02Å; F299-A302 VanDerWaalsContact O-N 3.15Å; F299-I303 WeakPolarHBondContact O-CG1 3.41Å; F299-I303 PolarHBondContact O-N 3.07Å; F299-I310 HydrophobicContact CD1-CD1 4.33Å; F299-I310 HydrophobicContact CE1-CD1 4.47Å; F299-F324 HydrophobicContact CE2-CD2 4.11Å; F299-F324 AromaticContact CE2-CE2 3.66Å; F299-F324 HydrophobicContact CE2-CE2 3.66Å; F299-F324 HydrophobicContact CE2-CZ 4.29Å; F299-F324 HydrophobicContact CZ-CE2 4.06Å; F299-F324 HydrophobicContact CZ-CZ 4.43Å; F299-K327 HydrophobicContact CB-CD 4.09Å; F299-K327 HydrophobicContact CB-CG 3.65Å; F299-K327 HydrophobicContact CD2-CB 4.26Å; F299-K327 HydrophobicContact CD2-CG 3.56Å; F299-K327 HydrophobicContact CG-CG 4.08Å; F299-V328 HydrophobicContact CE2-CG2 4.26Å; F299-L331 HydrophobicContact CB-CD1 4.14Å; F299-L331 HydrophobicContact CB-CD2 3.87Å; F299-L331 HydrophobicContact CB-CG 4.15Å; F299-L331 HydrophobicContact CD1-CD1 3.43Å; F299-L331 VanDerWaalsContact CD1-CD1 3.43Å; F299-L331 HydrophobicContact CD1-CD2 4.1Å; F299-L331 HydrophobicContact CD1-CG 4.27Å; F299-L331 HydrophobicContact CD2-CD1 3.84Å; F299-L331 HydrophobicContact CE1-CD1 3.61Å; F299-L331 HydrophobicContact CE2-CD1 3.98Å; F299-L331 HydrophobicContact CG-CD1 3.55Å; F299-L331 HydrophobicContact CG-CD2 4.14Å; F299-L331 HydrophobicContact CG-CG 4.12Å; F299-L331 HydrophobicContact CZ-CD1 3.87Å
300	N	91.7	Very high	91.5	Very high	21 Å²	21	22.3 Å²	22.3	11%	0.112	10%	0.104	C	C	.	.	H	α-helix	trans	-56.6	-39	171.5	-79.2	-17.9	0	0	0	111.3	S80 D81 L296 D297 S304 K327	S80-N300 PolarHBondContact OG-ND2 2.82Å; D81-N300 PolarHBondContact OD1-ND2 3.15Å; L296-N300 WeakPolarHBondContact O-CB 3.45Å; L296-N300 PolarHBondContact O-N 3.28Å; L296-N300 PolarHBondContact O-ND2 3.19Å; D297-N300 PolarHBondContact O-N 3.24Å; N300-S304 PolarHBondContact O-N 2.87Å; N300-S304 VanDerWaalsContact O-N 3.1Å; N300-K327 PolarHBondContact OD1-NZ 2.82Å
301	Y	90.2	Very high	92.3	Very high	9 Å²	9	21.9 Å²	21.9	4%	0.035	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-44.6	176	-172.2	-129.4	0	0	0	112.9	P71 E209 T211 W213 F281 D297 A298 F299 I303 S304 R305	P71-Y301 HydrophobicContact CB-CD2 3.49Å; P71-Y301 VanDerWaalsContact CB-CD2 3.49Å; P71-Y301 HydrophobicContact CB-CE2 3.05Å; P71-Y301 HydrophobicContact CB-CG 4.34Å; P71-Y301 HydrophobicContact CG-CD2 3.37Å; P71-Y301 HydrophobicContact CG-CE2 3.42Å; P71-Y301 VanDerWaalsContact CG-CE2 3.42Å; P71-Y301 HydrophobicContact CG-CG 4.32Å; E209-Y301 WeakPolarHBondContact OE2-CE1 3.35Å; E209-Y301 VanDerWaalsContact OE2-CZ 3.26Å; E209-Y301 PolarHBondContact OE2-OH 2.86Å; T211-Y301 HydrophobicContact CG2-CD1 4.27Å; T211-Y301 HydrophobicContact CG2-CE1 3.67Å; W213-Y301 HydrophobicContact CH2-CG 4.32Å; W213-Y301 AromaticContact CZ2-CD1 3.86Å; W213-Y301 HydrophobicContact CZ2-CD1 3.86Å; W213-Y301 AromaticContact CZ2-CG 3.94Å; W213-Y301 HydrophobicContact CZ2-CG 3.94Å; F281-Y301 AromaticContact CE1-CD1 3.58Å; F281-Y301 HydrophobicContact CE1-CD1 3.58Å; F281-Y301 HydrophobicContact CE1-CE1 4.49Å; F281-Y301 HydrophobicContact CE1-CG 4.36Å; F281-Y301 AromaticContact CZ-CD1 3.95Å; F281-Y301 HydrophobicContact CZ-CD1 3.95Å; D297-Y301 PolarHBondContact O-N 2.9Å; A298-Y301 WeakPolarHBondContact O-CB 3.38Å; A298-Y301 PolarHBondContact O-N 3.38Å; F299-Y301 PolarHBondContact O-N 3.12Å; Y301-I303 VanDerWaalsContact C-N 3.29Å; Y301-I303 PolarHBondContact O-N 3.02Å; Y301-S304 WeakPolarHBondContact CD2-OG 3.33Å; Y301-S304 WeakPolarHBondContact O-CB 3.49Å; Y301-S304 PolarHBondContact O-N 2.52Å; Y301-S304 PolarHBondContact O-OG 3.32Å; Y301-R305 HydrophobicContact CD1-CG 4.42Å; Y301-R305 HydrophobicContact CD2-CG 4.22Å; Y301-R305 HydrophobicContact CE1-CG 4.1Å; Y301-R305 HydrophobicContact CE2-CG 3.93Å; Y301-R305 VanDerWaalsContact CZ-NE 3.31Å; Y301-R305 WeakPolarHBondContact O-CG 3.48Å; Y301-R305 PolarHBondContact O-N 3.33Å; Y301-R305 VanDerWaalsContact OH-CZ 3.31Å; Y301-R305 PolarHBondContact OH-NE 3.44Å; Y301-R305 PolarHBondContact OH-NH2 3.12Å
302	A	93.4	Very high	92.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-41.1	175.4	0	0	0	0	0	112.5	F190 F281 A298 F299 R305 K306 L307 I310 L331	F190-A302 HydrophobicContact CE2-CB 4.47Å; F190-A302 HydrophobicContact CZ-CB 4.14Å; F281-A302 HydrophobicContact CE1-CB 4.42Å; F281-A302 HydrophobicContact CZ-CB 4.04Å; A298-A302 WeakPolarHBondContact O-CB 3.3Å; A298-A302 PolarHBondContact O-N 2.87Å; F299-A302 WeakPolarHBondContact O-CB 3.45Å; F299-A302 PolarHBondContact O-N 3.02Å; F299-A302 VanDerWaalsContact O-N 3.15Å; A302-R305 CarbonylContact O-C 3.36Å; A302-R305 PolarHBondContact O-N 2.85Å; A302-K306 PolarHBondContact O-N 2.85Å; A302-L307 HydrophobicContact CB-CD1 3.53Å; A302-L307 HydrophobicContact CB-CG 4.02Å; A302-L307 PolarHBondContact O-N 2.85Å; A302-I310 HydrophobicContact CB-CD1 3.82Å; A302-L331 HydrophobicContact CB-CD2 4.48Å
303	I	92.6	Very high	92.7	Very high	26 Å²	26	19.6 Å²	19.6	13%	0.133	9%	0.094	C	C	.	.	H	α-helix	trans	-59.5	-48.1	172.7	-66	167.7	0	0	0	110.5	F299 Y301 R305 K306 E330 L331 N334 I336	F299-I303 WeakPolarHBondContact O-CG1 3.41Å; F299-I303 PolarHBondContact O-N 3.07Å; Y301-I303 VanDerWaalsContact C-N 3.29Å; Y301-I303 PolarHBondContact O-N 3.02Å; I303-R305 VanDerWaalsContact C-N 3.26Å; I303-R305 PolarHBondContact O-N 2.84Å; I303-K306 WeakPolarHBondContact O-CA 3.24Å; I303-K306 PolarHBondContact O-N 2.88Å; I303-E330 HydrophobicContact CD1-CG 4.06Å; I303-L331 HydrophobicContact CD1-CD2 4.06Å; I303-L331 HydrophobicContact CG1-CD2 3.73Å; I303-N334 HydrophobicContact CG1-CB 4.25Å; I303-N334 HydrophobicContact CG2-CB 4.06Å; I303-I336 HydrophobicContact CG1-CD1 4.09Å
304	S	90.5	Very high	91.8	Very high	58 Å²	58	19.8 Å²	19.8	41%	0.406	9%	0.094	S	C	.	.	H	α-helix	trans	-62	-33.9	179.3	83.2	0	0	0	0	113.1	N300 Y301 K306	N300-S304 PolarHBondContact O-N 2.87Å; N300-S304 VanDerWaalsContact O-N 3.1Å; Y301-S304 WeakPolarHBondContact CD2-OG 3.33Å; Y301-S304 WeakPolarHBondContact O-CB 3.49Å; Y301-S304 PolarHBondContact O-N 2.52Å; Y301-S304 PolarHBondContact O-OG 3.32Å; S304-K306 VanDerWaalsContact C-N 3.27Å
305	R	90.3	Very high	90.6	Very high	70 Å²	70	18.4 Å²	18.4	26%	0.264	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.6	174.7	-67	-53.8	-163.6	-172.7	-0.5	113.3	R186 E209 F279 Y301 A302 I303 L307	R186-R305 PolarHBondContact NE-O 3.35Å; R186-R305 VanDerWaalsContact NE-O 3.15Å; E209-R305 VanDerWaalsContact CD-CZ 3.47Å; E209-R305 IonicContact OE1-CZ 3.58Å; E209-R305 IonicContact OE1-NE 2.84Å; E209-R305 PolarHBondContact OE1-NE 3.35Å; E209-R305 VanDerWaalsContact OE1-NE 3.12Å; E209-R305 IonicContact OE1-NH1 2.9Å; E209-R305 IonicContact OE1-NH2 2.71Å; E209-R305 PolarHBondContact OE1-NH2 3.01Å; E209-R305 IonicContact OE2-CZ 3.42Å; E209-R305 VanDerWaalsContact OE2-CZ 3.3Å; E209-R305 IonicContact OE2-NE 3.18Å; E209-R305 PolarHBondContact OE2-NE 3.04Å; E209-R305 IonicContact OE2-NH2 2.78Å; E209-R305 PolarHBondContact OE2-NH2 3.23Å; E209-R305 VanDerWaalsContact OE2-NH2 3.07Å; F279-R305 HydrophobicContact CD1-CB 4.45Å; F279-R305 HydrophobicContact CD1-CG 4.28Å; F279-R305 HydrophobicContact CE1-CB 4.15Å; F279-R305 HydrophobicContact CE1-CG 4.03Å; Y301-R305 HydrophobicContact CD1-CG 4.42Å; Y301-R305 HydrophobicContact CD2-CG 4.22Å; Y301-R305 HydrophobicContact CE1-CG 4.1Å; Y301-R305 HydrophobicContact CE2-CG 3.93Å; Y301-R305 VanDerWaalsContact CZ-NE 3.31Å; Y301-R305 WeakPolarHBondContact O-CG 3.48Å; Y301-R305 PolarHBondContact O-N 3.33Å; Y301-R305 VanDerWaalsContact OH-CZ 3.31Å; Y301-R305 PolarHBondContact OH-NE 3.44Å; Y301-R305 PolarHBondContact OH-NH2 3.12Å; A302-R305 CarbonylContact O-C 3.36Å; A302-R305 PolarHBondContact O-N 2.85Å; I303-R305 VanDerWaalsContact C-N 3.26Å; I303-R305 PolarHBondContact O-N 2.84Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 HydrophobicContact CB-CD2 3.84Å; R305-L307 HydrophobicContact CB-CG 4.3Å; R305-L307 PolarHBondContact O-N 3.22Å
306	K	92.9	Very high	89.4	Confident	137 Å²	137	18.5 Å²	18.5	60%	0.596	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	46.4	-179.3	-54.9	179.3	179.1	-178.3	0	111	R186 A302 I303 S304	R186-K306 PolarHBondContact NE-O 3.48Å; R186-K306 PolarHBondContact NH2-O 3.11Å; A302-K306 PolarHBondContact O-N 2.85Å; I303-K306 WeakPolarHBondContact O-CA 3.24Å; I303-K306 PolarHBondContact O-N 2.88Å; S304-K306 VanDerWaalsContact C-N 3.27Å
307	L	97.3	Very high	87.8	Confident	3 Å²	3	20.2 Å²	20.2	2%	0.016	10%	0.104	C	C	.	.			trans	-56.7	149.2	177.8	-54.2	-173.9	0	0	0	109.8	R186 F279 F281 A302 R305 I310 I336	R186-L307 HydrophobicContact CB-CD2 3.92Å; F279-L307 HydrophobicContact CB-CD1 4.41Å; F279-L307 HydrophobicContact CB-CD2 4.09Å; F279-L307 HydrophobicContact CD1-CD2 3.97Å; F279-L307 HydrophobicContact CD2-CD2 3.49Å; F279-L307 VanDerWaalsContact CD2-CD2 3.49Å; F279-L307 HydrophobicContact CE1-CD2 4.29Å; F279-L307 HydrophobicContact CE2-CD2 3.87Å; F279-L307 HydrophobicContact CG-CD2 3.57Å; F279-L307 HydrophobicContact CZ-CD2 4.24Å; F281-L307 HydrophobicContact CE2-CD1 3.64Å; F281-L307 HydrophobicContact CZ-CD1 3.84Å; A302-L307 HydrophobicContact CB-CD1 3.53Å; A302-L307 HydrophobicContact CB-CG 4.02Å; A302-L307 PolarHBondContact O-N 2.85Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 HydrophobicContact CB-CD2 3.84Å; R305-L307 HydrophobicContact CB-CG 4.3Å; R305-L307 PolarHBondContact O-N 3.22Å; L307-I310 HydrophobicContact CD1-CG1 4.16Å; L307-I336 HydrophobicContact CB-CD1 4.4Å; L307-I336 HydrophobicContact CB-CG2 4.44Å; L307-I336 VanDerWaalsContact O-CG1 3.3Å; L307-I336 WeakPolarHBondContact O-CG1 3.24Å
308	H	98.2	Very high	86.3	Confident	23 Å²	23	19.9 Å²	19.9	11%	0.106	10%	0.102	C	C	.	.	S	Bend	trans	-89.1	-35.1	176.6	-52.4	111.5	0	0	0	111.4	G184 V185 R186 L337 I434	G184-H308 PolarHBondContact O-CE1 3.21Å; G184-H308 VanDerWaalsContact O-CE1 3.3Å; V185-H308 HydrophobicContact CG1-CB 4.24Å; R186-H308 PolarHBondContact N-ND1 3.08Å; R186-H308 PolarHBondContact NH1-CE1 3.43Å; R186-H308 VanDerWaalsContact NH1-CE1 3.3Å; R186-H308 PolarHBondContact NH2-CE1 3.43Å; R186-H308 VanDerWaalsContact NH2-CE1 3.35Å; R186-H308 PolarHBondContact NH2-NE2 2.77Å; R186-H308 PolarHBondContact O-N 3.01Å; H308-L337 PolarHBondContact O-N 3Å; H308-I434 HydrophobicContact CB-CD1 3.88Å; H308-I434 HydrophobicContact CB-CG2 4.44Å
309	V	98.6	Very high	84.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.9	-178.8	60.9	0	0	0	0	110.1	R186 V187 G188 L337 V339 T427 V430 I434	R186-V309 PolarHBondContact O-N 2.65Å; V187-V309 WeakPolarHBondContact CA-O 3.33Å; V187-V309 HydrophobicContact CB-CG1 4.25Å; V187-V309 HydrophobicContact CG1-CG1 4.14Å; V187-V309 HydrophobicContact CG2-CG1 3.77Å; G188-V309 PolarHBondContact N-O 2.87Å; V309-L337 CarbonylContact C-O 3.55Å; V309-L337 VanDerWaalsContact CA-O 3.24Å; V309-L337 WeakPolarHBondContact CA-O 3.44Å; V309-L337 HydrophobicContact CG2-CB 4.41Å; V309-L337 WeakPolarHBondContact CG2-O 3.48Å; V309-V339 HydrophobicContact CG2-CG2 3.64Å; V309-T427 HydrophobicContact CG1-CG2 4.04Å; V309-T427 HydrophobicContact CG2-CG2 3.92Å; V309-V430 HydrophobicContact CB-CG1 3.87Å; V309-V430 HydrophobicContact CG1-CG1 4.17Å; V309-V430 HydrophobicContact CG2-CB 4.46Å; V309-V430 HydrophobicContact CG2-CG1 3.69Å; V309-I434 HydrophobicContact CB-CD1 4.42Å; V309-I434 HydrophobicContact CG1-CD1 4.5Å
310	I	98.5	Very high	83.2	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.7	170.3	-67.6	170.4	0	0	0	108.1	G188 F190 F299 A302 L307 L331 I336 L337 L338 V339	G188-I310 CarbonylContact O-C 3.47Å; G188-I310 WeakPolarHBondContact O-CA 3.47Å; F190-I310 HydrophobicContact CD2-CG2 3.43Å; F190-I310 VanDerWaalsContact CD2-CG2 3.43Å; F190-I310 HydrophobicContact CE2-CB 4.49Å; F190-I310 HydrophobicContact CE2-CD1 3.91Å; F190-I310 HydrophobicContact CE2-CG1 4Å; F190-I310 HydrophobicContact CE2-CG2 3.69Å; F190-I310 HydrophobicContact CG-CG2 4.1Å; F190-I310 HydrophobicContact CZ-CD1 4.16Å; F299-I310 HydrophobicContact CD1-CD1 4.33Å; F299-I310 HydrophobicContact CE1-CD1 4.47Å; A302-I310 HydrophobicContact CB-CD1 3.82Å; L307-I310 HydrophobicContact CD1-CG1 4.16Å; I310-L331 HydrophobicContact CD1-CD1 4.2Å; I310-L331 HydrophobicContact CD1-CD2 3.91Å; I310-I336 HydrophobicContact CD1-CG2 3.74Å; I310-I336 HydrophobicContact CG1-CG2 3.75Å; I310-L337 PolarHBondContact N-O 2.79Å; I310-L338 HydrophobicContact CB-CD1 3.76Å; I310-L338 HydrophobicContact CG2-CD1 3.52Å; I310-V339 PolarHBondContact O-N 2.96Å
311	N	98.3	Very high	82.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.4	164.5	173.7	82.2	0	0	0	109.5	G188 F190 V239 I243 S313 S423 P424 T427	G188-N311 PolarHBondContact O-N 3.25Å; F190-N311 PolarHBondContact N-O 3.25Å; V239-N311 WeakPolarHBondContact CG1-ND2 3.43Å; I243-N311 HydrophobicContact CD1-CB 4.08Å; N311-S313 PolarHBondContact ND2-OG 2.91Å; N311-S313 PolarHBondContact OD1-OG 2.61Å; N311-S423 PolarHBondContact OD1-OG 2.88Å; N311-P424 WeakPolarHBondContact OD1-CA 3.3Å; N311-P424 WeakPolarHBondContact OD1-CD 3.36Å; N311-P424 VanDerWaalsContact OD1-N 3.08Å; N311-T427 HydrophobicContact CB-CG2 3.98Å; N311-T427 WeakPolarHBondContact CB-OG1 3.35Å; N311-T427 PolarHBondContact OD1-OG1 3.28Å
312	L	93	Very high	82	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	96.8	170.1	-170	66.7	0	0	0	108.8	F190 F295 I314 F324 L338 V339 S340 A341 P355	F190-L312 HydrophobicContact CB-CD1 3.95Å; F295-L312 HydrophobicContact CE1-CD1 3.52Å; F295-L312 HydrophobicContact CZ-CD1 4.07Å; L312-I314 HydrophobicContact CD1-CG2 3.42Å; L312-I314 VanDerWaalsContact CD1-CG2 3.42Å; L312-I314 HydrophobicContact CD2-CG2 4.19Å; L312-I314 HydrophobicContact CG-CG2 3.54Å; L312-I314 PolarHBondContact O-N 3.19Å; L312-I314 VanDerWaalsContact O-N 3.13Å; L312-F324 HydrophobicContact CD2-CZ 4.27Å; L312-L338 HydrophobicContact CB-CD1 3.86Å; L312-L338 HydrophobicContact CD2-CD1 4.45Å; L312-L338 HydrophobicContact CD2-CD2 4.41Å; L312-V339 PolarHBondContact N-O 3.34Å; L312-S340 VanDerWaalsContact O-CA 3.3Å; L312-S340 WeakPolarHBondContact O-CA 3.47Å; L312-A341 PolarHBondContact O-N 3.5Å; L312-A341 VanDerWaalsContact O-N 3.16Å; L312-P355 HydrophobicContact CD2-CG 3.53Å
313	S	85.9	Confident	81.7	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.021	15%	0.152	C	C	.	.			trans	-85.3	29.5	-179.2	-59.8	0	0	0	0	112.8	R119 N311 S420 P424	R119-S313 PolarHBondContact NH1-O 3.36Å; N311-S313 PolarHBondContact ND2-OG 2.91Å; N311-S313 PolarHBondContact OD1-OG 2.61Å; S313-S420 VanDerWaalsContact O-CB 3.32Å; S313-S420 WeakPolarHBondContact O-CB 3.44Å; S313-S420 PolarHBondContact OG-O 3.18Å; S313-P424 WeakPolarHBondContact OG-CD 3.12Å
314	I	70.7	Confident	81.5	Confident	9 Å²	9	29.6 Å²	29.6	5%	0.046	15%	0.147	C	C	.	.			trans	-131.2	157.3	177.1	-169.9	160.2	0	0	0	110	F284 F290 L312 S340	F284-I314 HydrophobicContact CD1-CD1 4.46Å; F284-I314 HydrophobicContact CE1-CD1 3.24Å; F284-I314 HydrophobicContact CE2-CG2 4.45Å; F284-I314 HydrophobicContact CZ-CB 4.03Å; F284-I314 HydrophobicContact CZ-CD1 3.35Å; F284-I314 HydrophobicContact CZ-CG1 4.26Å; F284-I314 HydrophobicContact CZ-CG2 3.75Å; F290-I314 HydrophobicContact CD1-CD1 4.29Å; F290-I314 HydrophobicContact CE1-CD1 3.51Å; F290-I314 HydrophobicContact CZ-CD1 4.01Å; L312-I314 HydrophobicContact CD1-CG2 3.42Å; L312-I314 VanDerWaalsContact CD1-CG2 3.42Å; L312-I314 HydrophobicContact CD2-CG2 4.19Å; L312-I314 HydrophobicContact CG-CG2 3.54Å; L312-I314 PolarHBondContact O-N 3.19Å; L312-I314 VanDerWaalsContact O-N 3.13Å; I314-S340 PolarHBondContact O-OG 3.25Å
315	G	64.1	Low	81.5	Confident	10 Å²	10	28.2 Å²	28.2	10%	0.103	14%	0.136	C	C	.	.			trans	-158.4	173.9	154.8	0	0	0	0	0	110.2	N354	G315-N354 CarbonylContact C-O 3.54Å; G315-N354 WeakPolarHBondContact CA-O 3.32Å
316	G	66.2	Low	81.5	Confident	2 Å²	2	26.9 Å²	26.9	2%	0.021	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-164.8	-172.2	170.8	0	0	0	0	0	111.7	D318 N354	G316-D318 PolarHBondContact O-N 2.92Å; G316-N354 PolarHBondContact N-O 2.89Å; G316-N354 VanDerWaalsContact N-O 3.11Å; G316-N354 WeakPolarHBondContact O-CB 3.39Å; G316-N354 PolarHBondContact O-N 2.87Å
317	P	58.1	Low	81.5	Confident	40 Å²	40	20.6 Å²	20.6	26%	0.26	11%	0.107	S	C	.	.	S	Bend	trans	-63.9	27.8	174.4	27.5	-39.7	0	0	0	115.2	Y26 F319 Y682	Y26-P317 VanDerWaalsContact CD1-CD 3.49Å; Y26-P317 HydrophobicContact CD1-CG 3.62Å; Y26-P317 HydrophobicContact CE1-CG 3.31Å; P317-F319 VanDerWaalsContact C-N 3.28Å; P317-F319 WeakPolarHBondContact O-CD1 3.4Å; P317-F319 WeakPolarHBondContact O-CE1 3.38Å; P317-F319 PolarHBondContact O-N 3.12Å; P317-Y682 HydrophobicContact CB-CE1 4.35Å; P317-Y682 WeakPolarHBondContact CB-OH 3.32Å
318	D	55.8	Low	81.4	Confident	6 Å²	6	20.5 Å²	20.5	3%	0.032	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-84.2	12.1	-165.5	-148.6	23.6	0	0	0	115.5	K115 G316 L320 D321	K115-D318 IonicContact NZ-OD1 3.75Å; K115-D318 PolarHBondContact NZ-OD1 3.28Å; G316-D318 PolarHBondContact O-N 2.92Å; D318-L320 PolarHBondContact O-N 3.27Å; D318-D321 PolarHBondContact O-N 3.32Å; D318-D321 WeakPolarHBondContact OD1-CB 3.27Å
319	F	58.9	Low	81.2	Confident	43 Å²	43	21.5 Å²	21.5	19%	0.189	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-60.2	-18.6	173	69.5	-82.5	0	0	0	112.4	P317 N354 W384 Y682	P317-F319 VanDerWaalsContact C-N 3.28Å; P317-F319 WeakPolarHBondContact O-CD1 3.4Å; P317-F319 WeakPolarHBondContact O-CE1 3.38Å; P317-F319 PolarHBondContact O-N 3.12Å; F319-N354 HydrophobicContact CB-CB 4.26Å; F319-W384 HydrophobicContact CB-CG 4.44Å; F319-W384 HydrophobicContact CD1-CB 4.39Å; F319-W384 HydrophobicContact CD2-CB 3.49Å; F319-W384 VanDerWaalsContact CD2-CB 3.49Å; F319-W384 AromaticContact CD2-CG 3.96Å; F319-W384 HydrophobicContact CD2-CG 3.96Å; F319-W384 HydrophobicContact CE1-CB 4.48Å; F319-W384 HydrophobicContact CE2-CB 3.54Å; F319-W384 HydrophobicContact CE2-CG 4.48Å; F319-W384 HydrophobicContact CG-CB 3.95Å; F319-W384 HydrophobicContact CG-CG 4.1Å; F319-W384 HydrophobicContact CZ-CB 4.09Å; F319-Y682 HydrophobicContact CD1-CE1 4.41Å; F319-Y682 AromaticContact CE1-CD1 3.43Å; F319-Y682 HydrophobicContact CE1-CD1 3.43Å; F319-Y682 VanDerWaalsContact CE1-CD1 3.43Å; F319-Y682 AromaticContact CE1-CE1 3.21Å; F319-Y682 HydrophobicContact CE1-CE1 3.21Å; F319-Y682 HydrophobicContact CE1-CG 4.25Å; F319-Y682 AromaticContact CE1-CZ 3.83Å; F319-Y682 HydrophobicContact CE2-CD1 4.43Å; F319-Y682 AromaticContact CZ-CD1 3.23Å; F319-Y682 HydrophobicContact CZ-CD1 3.23Å; F319-Y682 AromaticContact CZ-CE1 3.55Å; F319-Y682 HydrophobicContact CZ-CE1 3.55Å; F319-Y682 HydrophobicContact CZ-CG 4.02Å
320	L	61.5	Low	81	Confident	81 Å²	81	23.7 Å²	23.7	42%	0.424	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-78.9	-14.1	173	-62.5	175.9	0	0	0	113.6	D318 K322	D318-L320 PolarHBondContact O-N 3.27Å; L320-K322 PolarHBondContact O-N 2.94Å; L320-K322 VanDerWaalsContact O-N 3.12Å
321	D	74.2	Confident	80.9	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.011	12%	0.123	C	C	.	.			trans	-83	82.2	172.9	-169.7	8.6	0	0	0	110.9	K115 T292 D318 P323 F324 V325	K115-D321 HydrophobicContact CD-CB 4.03Å; T292-D321 VanDerWaalsContact CB-OD2 3.29Å; T292-D321 WeakPolarHBondContact CB-OD2 3.03Å; T292-D321 WeakPolarHBondContact CG2-OD2 3.48Å; T292-D321 PolarHBondContact OG1-OD2 3.45Å; D318-D321 PolarHBondContact O-N 3.32Å; D318-D321 WeakPolarHBondContact OD1-CB 3.27Å; D321-P323 VanDerWaalsContact OD1-CD 3.22Å; D321-P323 WeakPolarHBondContact OD1-CD 3.49Å; D321-F324 HydrophobicContact CB-CB 3.96Å; D321-F324 WeakPolarHBondContact O-CB 3.39Å; D321-F324 PolarHBondContact O-N 2.94Å; D321-F324 WeakPolarHBondContact OD2-CB 3.47Å; D321-V325 PolarHBondContact O-N 2.92Å
322	K	82.2	Confident	80.8	Confident	120 Å²	120	24 Å²	24	52%	0.522	13%	0.125	S	C	.	.	H	α-helix	trans	-50.8	-46.9	-178.4	179.9	178.2	-178.2	-179.7	0	113.4	L320 F324 V325 D326	L320-K322 PolarHBondContact O-N 2.94Å; L320-K322 VanDerWaalsContact O-N 3.12Å; K322-F324 VanDerWaalsContact C-N 3.3Å; K322-F324 PolarHBondContact O-N 2.95Å; K322-V325 PolarHBondContact O-N 3.43Å; K322-D326 WeakPolarHBondContact O-CB 3.29Å; K322-D326 PolarHBondContact O-N 3.27Å
323	P	88.3	Confident	80.9	Confident	6 Å²	6	25 Å²	25	4%	0.039	13%	0.133	C	C	.	.	H	α-helix	trans	-51.8	-44.7	172.9	-27.3	29.1	0	0	0	114.3	I36 S112 T292 L296 D321 K327	I36-P323 HydrophobicContact CD1-CB 4.47Å; S112-P323 VanDerWaalsContact CB-CG 3.45Å; T292-P323 HydrophobicContact CG2-CB 4.29Å; L296-P323 HydrophobicContact CD1-CB 3.99Å; L296-P323 HydrophobicContact CD2-CB 4.44Å; L296-P323 WeakPolarHBondContact CD2-O 3.38Å; D321-P323 VanDerWaalsContact OD1-CD 3.22Å; D321-P323 WeakPolarHBondContact OD1-CD 3.49Å; P323-K327 WeakPolarHBondContact O-CB 3.04Å; P323-K327 PolarHBondContact O-N 3.04Å; P323-K327 VanDerWaalsContact O-N 3.13Å
324	F	89	Confident	81.3	Confident	8 Å²	8	28.5 Å²	28.5	4%	0.035	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-49.7	178.9	-179.1	-97	0	0	0	111.4	T292 F295 F299 L312 D321 K322 D326 K327 V328 P355	T292-F324 HydrophobicContact CG2-CB 4.35Å; F295-F324 HydrophobicContact CB-CD2 4.01Å; F295-F324 HydrophobicContact CB-CE2 3.94Å; F295-F324 AromaticContact CD1-CE2 3.84Å; F295-F324 HydrophobicContact CD1-CE2 3.84Å; F295-F324 HydrophobicContact CG-CD2 4.35Å; F295-F324 AromaticContact CG-CE2 3.85Å; F295-F324 HydrophobicContact CG-CE2 3.85Å; F299-F324 HydrophobicContact CE2-CD2 4.11Å; F299-F324 AromaticContact CE2-CE2 3.66Å; F299-F324 HydrophobicContact CE2-CE2 3.66Å; F299-F324 HydrophobicContact CE2-CZ 4.29Å; F299-F324 HydrophobicContact CZ-CE2 4.06Å; F299-F324 HydrophobicContact CZ-CZ 4.43Å; L312-F324 HydrophobicContact CD2-CZ 4.27Å; D321-F324 HydrophobicContact CB-CB 3.96Å; D321-F324 WeakPolarHBondContact O-CB 3.39Å; D321-F324 PolarHBondContact O-N 2.94Å; D321-F324 WeakPolarHBondContact OD2-CB 3.47Å; K322-F324 VanDerWaalsContact C-N 3.3Å; K322-F324 PolarHBondContact O-N 2.95Å; F324-D326 PolarHBondContact O-N 3.1Å; F324-K327 PolarHBondContact O-N 3.44Å; F324-K327 VanDerWaalsContact O-N 3.14Å; F324-V328 HydrophobicContact CD1-CG2 4.3Å; F324-V328 HydrophobicContact CE1-CG2 3.98Å; F324-V328 HydrophobicContact CZ-CG2 4.24Å; F324-V328 WeakPolarHBondContact O-CG2 3.34Å; F324-V328 PolarHBondContact O-N 2.96Å; F324-P355 HydrophobicContact CE1-CB 4Å; F324-P355 HydrophobicContact CE1-CG 3.94Å; F324-P355 HydrophobicContact CZ-CG 4.13Å
325	V	89.4	Confident	82.5	Confident	29 Å²	29	29.4 Å²	29.4	18%	0.176	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-47.4	178.4	175.9	0	0	0	0	111.6	D321 K322 K327 V328 L329	D321-V325 PolarHBondContact O-N 2.92Å; K322-V325 PolarHBondContact O-N 3.43Å; V325-K327 PolarHBondContact O-N 3.23Å; V325-V328 PolarHBondContact O-N 2.96Å; V325-L329 PolarHBondContact O-N 3.21Å; V325-L329 VanDerWaalsContact O-N 3.15Å
326	D	90.7	Very high	84.1	Confident	42 Å²	42	29 Å²	29	23%	0.225	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-37.4	177.2	-84.2	10.1	0	0	0	111.6	K109 K322 F324 E330	K109-D326 VanDerWaalsContact CE-OD2 3.28Å; K109-D326 WeakPolarHBondContact CE-OD2 3.49Å; K109-D326 IonicContact NZ-OD2 3.87Å; K109-D326 PolarHBondContact NZ-OD2 2.81Å; K322-D326 WeakPolarHBondContact O-CB 3.29Å; K322-D326 PolarHBondContact O-N 3.27Å; F324-D326 PolarHBondContact O-N 3.1Å; D326-E330 PolarHBondContact O-N 3.4Å; D326-E330 VanDerWaalsContact O-N 3.13Å
327	K	93.3	Very high	85.6	Confident	6 Å²	6	29 Å²	29	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-73.7	-33.6	179.3	-171.3	60.4	58.9	179.6	0	112.4	D81 L296 F299 N300 P323 F324 V325 E330 L331	D81-K327 VanDerWaalsContact CG-NZ 3.31Å; D81-K327 IonicContact OD1-NZ 3.21Å; D81-K327 PolarHBondContact OD1-NZ 2.94Å; D81-K327 IonicContact OD2-NZ 2.87Å; D81-K327 PolarHBondContact OD2-NZ 3.03Å; L296-K327 HydrophobicContact CD2-CB 3.46Å; L296-K327 VanDerWaalsContact CD2-CB 3.46Å; L296-K327 HydrophobicContact CD2-CG 3.77Å; F299-K327 HydrophobicContact CB-CD 4.09Å; F299-K327 HydrophobicContact CB-CG 3.65Å; F299-K327 HydrophobicContact CD2-CB 4.26Å; F299-K327 HydrophobicContact CD2-CG 3.56Å; F299-K327 HydrophobicContact CG-CG 4.08Å; N300-K327 PolarHBondContact OD1-NZ 2.82Å; P323-K327 WeakPolarHBondContact O-CB 3.04Å; P323-K327 PolarHBondContact O-N 3.04Å; P323-K327 VanDerWaalsContact O-N 3.13Å; F324-K327 PolarHBondContact O-N 3.44Å; F324-K327 VanDerWaalsContact O-N 3.14Å; V325-K327 PolarHBondContact O-N 3.23Å; K327-E330 HydrophobicContact CD-CB 4.44Å; K327-E330 WeakPolarHBondContact CE-OE2 3.4Å; K327-E330 IonicContact NZ-OE1 2.77Å; K327-E330 IonicContact NZ-OE2 3.43Å; K327-E330 PolarHBondContact NZ-OE2 3.48Å; K327-E330 WeakPolarHBondContact O-CB 3.33Å; K327-E330 PolarHBondContact O-N 3.28Å; K327-L331 WeakPolarHBondContact O-CG 3.4Å; K327-L331 PolarHBondContact O-N 2.64Å
328	V	94.3	Very high	87.5	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-45.9	171.9	170.9	0	0	0	0	110.7	F299 F324 V325 E330 L331 S332 L338 P355 V361	F299-V328 HydrophobicContact CE2-CG2 4.26Å; F324-V328 HydrophobicContact CD1-CG2 4.3Å; F324-V328 HydrophobicContact CE1-CG2 3.98Å; F324-V328 HydrophobicContact CZ-CG2 4.24Å; F324-V328 WeakPolarHBondContact O-CG2 3.34Å; F324-V328 PolarHBondContact O-N 2.96Å; V325-V328 PolarHBondContact O-N 2.96Å; V328-E330 VanDerWaalsContact C-N 3.27Å; V328-E330 PolarHBondContact O-N 2.94Å; V328-L331 WeakPolarHBondContact O-CB 3.45Å; V328-L331 PolarHBondContact O-N 2.87Å; V328-S332 PolarHBondContact O-N 2.65Å; V328-S332 VanDerWaalsContact O-N 3.11Å; V328-L338 HydrophobicContact CG1-CD2 3.78Å; V328-L338 HydrophobicContact CG2-CD2 4.04Å; V328-P355 HydrophobicContact CG1-CB 4.35Å; V328-P355 HydrophobicContact CG2-CB 4.12Å; V328-P355 HydrophobicContact CG2-CG 4.47Å; V328-V361 HydrophobicContact CG1-CG2 3.44Å; V328-V361 VanDerWaalsContact CG1-CG2 3.44Å
329	L	93.8	Very high	89.6	Confident	43 Å²	43	27.1 Å²	27.1	23%	0.225	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-38.7	174.7	-64.5	172.7	0	0	0	111.8	V325 S332 A333 P602	V325-L329 PolarHBondContact O-N 3.21Å; V325-L329 VanDerWaalsContact O-N 3.15Å; L329-S332 PolarHBondContact O-N 3.15Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 3.4Å; L329-P602 HydrophobicContact CB-CG 4.37Å; L329-P602 HydrophobicContact CD2-CG 4.09Å
330	E	94.6	Very high	91.3	Very high	47 Å²	47	25 Å²	25	22%	0.22	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-40	176.7	-172.1	-178.7	167.6	0	0	113	H42 I303 D326 K327 V328 S332 A333 N334	H42-E330 IonicContact CE1-OE1 3.67Å; H42-E330 PolarHBondContact CE1-OE1 3.15Å; I303-E330 HydrophobicContact CD1-CG 4.06Å; D326-E330 PolarHBondContact O-N 3.4Å; D326-E330 VanDerWaalsContact O-N 3.13Å; K327-E330 HydrophobicContact CD-CB 4.44Å; K327-E330 WeakPolarHBondContact CE-OE2 3.4Å; K327-E330 IonicContact NZ-OE1 2.77Å; K327-E330 IonicContact NZ-OE2 3.43Å; K327-E330 PolarHBondContact NZ-OE2 3.48Å; K327-E330 WeakPolarHBondContact O-CB 3.33Å; K327-E330 PolarHBondContact O-N 3.28Å; V328-E330 VanDerWaalsContact C-N 3.27Å; V328-E330 PolarHBondContact O-N 2.94Å; E330-S332 VanDerWaalsContact C-N 3.31Å; E330-S332 PolarHBondContact O-N 3.15Å; E330-A333 PolarHBondContact O-N 2.88Å; E330-N334 PolarHBondContact O-N 3.23Å; E330-N334 PolarHBondContact O-ND2 2.8Å
331	L	95.8	Very high	92.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.2	-49.6	172.7	-71.5	167.4	0	0	0	110.7	F299 A302 I303 I310 K327 V328 N334 G335 I336	F299-L331 HydrophobicContact CB-CD1 4.14Å; F299-L331 HydrophobicContact CB-CD2 3.87Å; F299-L331 HydrophobicContact CB-CG 4.15Å; F299-L331 HydrophobicContact CD1-CD1 3.43Å; F299-L331 VanDerWaalsContact CD1-CD1 3.43Å; F299-L331 HydrophobicContact CD1-CD2 4.1Å; F299-L331 HydrophobicContact CD1-CG 4.27Å; F299-L331 HydrophobicContact CD2-CD1 3.84Å; F299-L331 HydrophobicContact CE1-CD1 3.61Å; F299-L331 HydrophobicContact CE2-CD1 3.98Å; F299-L331 HydrophobicContact CG-CD1 3.55Å; F299-L331 HydrophobicContact CG-CD2 4.14Å; F299-L331 HydrophobicContact CG-CG 4.12Å; F299-L331 HydrophobicContact CZ-CD1 3.87Å; A302-L331 HydrophobicContact CB-CD2 4.48Å; I303-L331 HydrophobicContact CD1-CD2 4.06Å; I303-L331 HydrophobicContact CG1-CD2 3.73Å; I310-L331 HydrophobicContact CD1-CD1 4.2Å; I310-L331 HydrophobicContact CD1-CD2 3.91Å; K327-L331 WeakPolarHBondContact O-CG 3.4Å; K327-L331 PolarHBondContact O-N 2.64Å; V328-L331 WeakPolarHBondContact O-CB 3.45Å; V328-L331 PolarHBondContact O-N 2.87Å; L331-N334 CarbonylContact O-C 3.43Å; L331-N334 PolarHBondContact O-N 3.48Å; L331-N334 VanDerWaalsContact O-N 3.12Å; L331-G335 PolarHBondContact O-N 3.15Å; L331-I336 HydrophobicContact CB-CB 4.43Å; L331-I336 HydrophobicContact CD2-CD1 4.03Å; L331-I336 WeakPolarHBondContact O-CB 3.24Å; L331-I336 PolarHBondContact O-N 3.44Å; L331-I336 VanDerWaalsContact O-N 3.11Å
332	S	96.4	Very high	93.6	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-46.2	179.1	-178.4	0	0	0	0	111.3	V328 L329 E330 N334 G335 I336 D360 W603	V328-S332 PolarHBondContact O-N 2.65Å; V328-S332 VanDerWaalsContact O-N 3.11Å; L329-S332 PolarHBondContact O-N 3.15Å; E330-S332 VanDerWaalsContact C-N 3.31Å; E330-S332 PolarHBondContact O-N 3.15Å; S332-N334 PolarHBondContact O-N 3.48Å; S332-G335 WeakPolarHBondContact O-CA 3.4Å; S332-G335 PolarHBondContact O-N 3.08Å; S332-I336 WeakPolarHBondContact CA-O 3.3Å; S332-D360 WeakPolarHBondContact CB-OD2 3.37Å; S332-D360 WeakPolarHBondContact OG-CB 3.19Å; S332-D360 PolarHBondContact OG-OD2 2.98Å; S332-W603 PolarHBondContact O-NE1 2.64Å
333	A	95.8	Very high	93.8	Very high	22 Å²	22	15.7 Å²	15.7	18%	0.182	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-30.4	175.4	0	0	0	0	0	113	L329 E330 G335 V569 P602	L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 3.4Å; E330-A333 PolarHBondContact O-N 2.88Å; A333-G335 PolarHBondContact O-N 3.25Å; A333-V569 HydrophobicContact CB-CG1 4.31Å; A333-P602 HydrophobicContact CB-CB 3.93Å
334	N	95.1	Very high	93.6	Very high	76 Å²	76	16.1 Å²	16.1	41%	0.406	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	9.4	174.5	-80.1	-83.9	0	0	0	113.9	I303 E330 L331 S332	I303-N334 HydrophobicContact CG1-CB 4.25Å; I303-N334 HydrophobicContact CG2-CB 4.06Å; E330-N334 PolarHBondContact O-N 3.23Å; E330-N334 PolarHBondContact O-ND2 2.8Å; L331-N334 CarbonylContact O-C 3.43Å; L331-N334 PolarHBondContact O-N 3.48Å; L331-N334 VanDerWaalsContact O-N 3.12Å; S332-N334 PolarHBondContact O-N 3.48Å
335	G	95.2	Very high	93.2	Very high	27 Å²	27	16.6 Å²	16.6	28%	0.278	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	18.9	175.5	0	0	0	0	0	114.1	L331 S332 A333 P467	L331-G335 PolarHBondContact O-N 3.15Å; S332-G335 WeakPolarHBondContact O-CA 3.4Å; S332-G335 PolarHBondContact O-N 3.08Å; A333-G335 PolarHBondContact O-N 3.25Å; G335-P467 WeakPolarHBondContact O-CD 3.48Å; G335-P467 WeakPolarHBondContact O-CG 3.4Å
336	I	98.1	Very high	93	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.01	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-97.5	122.6	177.7	-46.6	-167	0	0	0	109.6	I303 L307 I310 L331 S332 L338 P467	I303-I336 HydrophobicContact CG1-CD1 4.09Å; L307-I336 HydrophobicContact CB-CD1 4.4Å; L307-I336 HydrophobicContact CB-CG2 4.44Å; L307-I336 VanDerWaalsContact O-CG1 3.3Å; L307-I336 WeakPolarHBondContact O-CG1 3.24Å; I310-I336 HydrophobicContact CD1-CG2 3.74Å; I310-I336 HydrophobicContact CG1-CG2 3.75Å; L331-I336 HydrophobicContact CB-CB 4.43Å; L331-I336 HydrophobicContact CD2-CD1 4.03Å; L331-I336 WeakPolarHBondContact O-CB 3.24Å; L331-I336 PolarHBondContact O-N 3.44Å; L331-I336 VanDerWaalsContact O-N 3.11Å; S332-I336 WeakPolarHBondContact CA-O 3.3Å; I336-L338 PolarHBondContact O-N 3.11Å; I336-P467 VanDerWaalsContact C-CG 3.47Å
337	L	98.4	Very high	92.7	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.8	172.9	-177.7	60.8	0	0	0	110.1	H308 V309 I310 V339 L362 V430 P467 I470	H308-L337 PolarHBondContact O-N 3Å; V309-L337 CarbonylContact C-O 3.55Å; V309-L337 VanDerWaalsContact CA-O 3.24Å; V309-L337 WeakPolarHBondContact CA-O 3.44Å; V309-L337 HydrophobicContact CG2-CB 4.41Å; V309-L337 WeakPolarHBondContact CG2-O 3.48Å; I310-L337 PolarHBondContact N-O 2.79Å; L337-V339 HydrophobicContact CD2-CG2 4.33Å; L337-V339 HydrophobicContact CG-CG2 4.25Å; L337-L362 HydrophobicContact CD1-CB 4.15Å; L337-L362 HydrophobicContact CD2-CD2 4.37Å; L337-V430 HydrophobicContact CD2-CG1 4Å; L337-V430 HydrophobicContact CD2-CG2 4.02Å; L337-P467 HydrophobicContact CB-CB 3.88Å; L337-P467 HydrophobicContact CB-CG 4.4Å; L337-P467 HydrophobicContact CD1-CB 3.91Å; L337-P467 HydrophobicContact CG-CB 4.48Å; L337-I470 HydrophobicContact CD2-CB 4.15Å; L337-I470 HydrophobicContact CD2-CG2 3.99Å
338	L	98	Very high	92.3	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.9	168.2	-172.6	61.4	0	0	0	109.3	I310 L312 V328 I336 P355 V361 L362	I310-L338 HydrophobicContact CB-CD1 3.76Å; I310-L338 HydrophobicContact CG2-CD1 3.52Å; L312-L338 HydrophobicContact CB-CD1 3.86Å; L312-L338 HydrophobicContact CD2-CD1 4.45Å; L312-L338 HydrophobicContact CD2-CD2 4.41Å; V328-L338 HydrophobicContact CG1-CD2 3.78Å; V328-L338 HydrophobicContact CG2-CD2 4.04Å; I336-L338 PolarHBondContact O-N 3.11Å; L338-P355 HydrophobicContact CD2-CB 4.31Å; L338-P355 HydrophobicContact CD2-CG 3.76Å; L338-V361 HydrophobicContact CB-CG1 4.21Å; L338-V361 HydrophobicContact CB-CG2 4.21Å; L338-V361 HydrophobicContact CD2-CG1 4.18Å; L338-V361 HydrophobicContact CD2-CG2 3.86Å; L338-V361 HydrophobicContact CG-CG1 4.05Å; L338-V361 HydrophobicContact CG-CG2 4.38Å; L338-V361 WeakPolarHBondContact O-CG1 3.36Å; L338-L362 PolarHBondContact O-N 3.23Å
339	V	98.5	Very high	92	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.2	171	-173.4	0	0	0	0	107.3	V309 I310 L312 L337 L362 V364 S423 V426 T427 V430	V309-V339 HydrophobicContact CG2-CG2 3.64Å; I310-V339 PolarHBondContact O-N 2.96Å; L312-V339 PolarHBondContact N-O 3.34Å; L337-V339 HydrophobicContact CD2-CG2 4.33Å; L337-V339 HydrophobicContact CG-CG2 4.25Å; V339-L362 HydrophobicContact CG1-CD2 4.33Å; V339-L362 HydrophobicContact CG2-CB 4.47Å; V339-L362 HydrophobicContact CG2-CD2 4.08Å; V339-V364 HydrophobicContact CG1-CG2 3.7Å; V339-S423 PolarHBondContact O-OG 3.2Å; V339-V426 HydrophobicContact CG1-CB 4.07Å; V339-V426 HydrophobicContact CG1-CG1 3.89Å; V339-T427 WeakPolarHBondContact CB-OG1 3.06Å; V339-V430 HydrophobicContact CG2-CG2 4.32Å
340	S	95.8	Very high	91.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.9	-173.2	-166.3	0	0	0	0	112.5	L312 I314 L362 V364	L312-S340 VanDerWaalsContact O-CA 3.3Å; L312-S340 WeakPolarHBondContact O-CA 3.47Å; I314-S340 PolarHBondContact O-OG 3.25Å; S340-L362 PolarHBondContact N-O 3.11Å; S340-V364 PolarHBondContact O-N 2.99Å
341	A	92	Very high	91.2	Very high	2 Å²	2	14 Å²	14	2%	0.017	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129	175	0	0	0	0	0	110.2	L312 G343 A356 T419	L312-A341 PolarHBondContact O-N 3.5Å; L312-A341 VanDerWaalsContact O-N 3.16Å; A341-G343 PolarHBondContact O-N 2.84Å; A341-A356 VanDerWaalsContact O-CB 3.22Å; A341-A356 WeakPolarHBondContact O-CB 3.31Å; A341-T419 VanDerWaalsContact CB-C 3.47Å; A341-T419 WeakPolarHBondContact CB-O 2.73Å
342	I	91.7	Very high	90.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.093	C	C	.	.			trans	-67.3	-19	-175.5	-160	66.1	0	0	0	114	L352 N353 A356 V364 S378 K394 P395 T419	I342-L352 HydrophobicContact CD1-CB 4.49Å; I342-L352 HydrophobicContact CD1-CD2 3.92Å; I342-L352 HydrophobicContact CG1-CD2 3.64Å; I342-N353 PolarHBondContact O-N 3.05Å; I342-A356 HydrophobicContact CD1-CB 3.83Å; I342-V364 WeakPolarHBondContact CB-O 3.36Å; I342-V364 WeakPolarHBondContact CG2-O 3.19Å; I342-V364 PolarHBondContact N-O 2.79Å; I342-S378 WeakPolarHBondContact CG2-O 3.08Å; I342-S378 WeakPolarHBondContact O-CB 3.36Å; I342-K394 HydrophobicContact CD1-CB 4.44Å; I342-P395 HydrophobicContact CB-CB 4.33Å; I342-P395 HydrophobicContact CD1-CB 4.09Å; I342-P395 HydrophobicContact CG1-CB 3.96Å; I342-T419 HydrophobicContact CG2-CG2 3.78Å
343	G	86.4	Confident	90.3	Very high	4 Å²	4	14.9 Å²	14.9	4%	0.041	10%	0.095	C	C	.	.			trans	119.1	164.8	-175.2	0	0	0	0	0	112.7	A341 N353 S378 T419	A341-G343 PolarHBondContact O-N 2.84Å; G343-N353 WeakPolarHBondContact CA-ND2 3.35Å; G343-S378 WeakPolarHBondContact CA-OG 3.17Å; G343-S378 PolarHBondContact O-N 3.49Å; G343-S378 VanDerWaalsContact O-N 3.09Å; G343-S378 PolarHBondContact O-OG 3.03Å; G343-T419 PolarHBondContact N-OG1 2.96Å; G343-T419 WeakPolarHBondContact O-CB 3.47Å; G343-T419 WeakPolarHBondContact O-CG2 2.96Å; G343-T419 PolarHBondContact O-OG1 3.33Å
344	N	84.3	Confident	89.7	Confident	15 Å²	15	14 Å²	14	8%	0.08	9%	0.088	C	C	.	.	S	Bend	trans	-117.4	21.3	-176.8	-73.1	-31.7	0	0	0	111.9	Y24 F376 S378 G418 T419	Y24-N344 HydrophobicContact CD1-CB 3.97Å; Y24-N344 HydrophobicContact CE1-CB 4.01Å; Y24-N344 VanDerWaalsContact CE1-O 3.23Å; Y24-N344 WeakPolarHBondContact CE1-O 3.08Å; N344-F376 CarbonylContact C-O 3.59Å; N344-F376 WeakPolarHBondContact CA-O 3.45Å; N344-F376 WeakPolarHBondContact OD1-CD2 3.35Å; N344-S378 PolarHBondContact N-OG 3.42Å; N344-G418 WeakPolarHBondContact OD1-CA 3.45Å; N344-T419 PolarHBondContact OD1-N 2.6Å; N344-T419 PolarHBondContact OD1-OG1 2.81Å
345	D	80.2	Confident	89.6	Confident	18 Å²	18	10.4 Å²	10.4	10%	0.096	7%	0.069	C	C	.	.			trans	-94.4	5	-166.3	-59.8	-107.4	0	0	0	113.3	Y24 T351 N353 F376 S378 W701	Y24-D345 VanDerWaalsContact CE2-CG 3.44Å; Y24-D345 WeakPolarHBondContact CE2-OD1 3.32Å; Y24-D345 WeakPolarHBondContact OH-CA 3.06Å; Y24-D345 WeakPolarHBondContact OH-CB 3.49Å; Y24-D345 PolarHBondContact OH-OD1 3.49Å; D345-T351 HydrophobicContact CB-CG2 4.13Å; D345-T351 WeakPolarHBondContact O-CG2 3.46Å; D345-N353 PolarHBondContact OD2-ND2 3.07Å; D345-F376 PolarHBondContact N-O 3.06Å; D345-S378 WeakPolarHBondContact CB-OG 3.19Å; D345-S378 PolarHBondContact N-OG 2.84Å; D345-W701 HydrophobicContact CB-CH2 3.66Å; D345-W701 HydrophobicContact CB-CZ3 3.66Å
346	G	83.8	Confident	89.5	Confident	12 Å²	12	9.1 Å²	9.1	12%	0.124	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	168.4	175.8	0	0	0	0	0	113.6	R375 F376	G346-R375 CarbonylContact C-O 3.56Å; G346-R375 WeakPolarHBondContact CA-O 3.16Å; G346-F376 PolarHBondContact N-O 3.28Å
347	P	84.4	Confident	89.2	Confident	51 Å²	51	9.2 Å²	9.2	33%	0.331	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.7	6.4	13.6	36.3	-36	0	0	0	114.6	R375 R379	P347-R375 WeakPolarHBondContact CA-O 2.95Å; P347-R375 HydrophobicContact CB-CG 4.06Å; P347-R375 WeakPolarHBondContact CB-O 3.28Å; P347-R375 HydrophobicContact CG-CG 3.92Å; P347-R375 VanDerWaalsContact N-O 3.08Å; P347-R379 WeakPolarHBondContact O-CD 3.3Å
348	L	85.2	Confident	88.9	Confident	39 Å²	39	9.7 Å²	9.7	20%	0.204	6%	0.058	C	C	.	.	S	Bend	trans	-64.2	151.9	178.8	-63.7	171.9	0	0	0	110.9	T351 R379 L702 T945	L348-T351 HydrophobicContact CB-CG2 3.73Å; L348-T351 WeakPolarHBondContact O-CB 3.23Å; L348-T351 WeakPolarHBondContact O-CG2 3.46Å; L348-T351 PolarHBondContact O-OG1 3Å; L348-R379 WeakPolarHBondContact O-CG 3.29Å; L348-L702 HydrophobicContact CB-CD1 4.22Å; L348-L702 HydrophobicContact CD1-CD1 3.5Å; L348-L702 VanDerWaalsContact CD1-CD1 3.5Å; L348-L702 HydrophobicContact CG-CD1 4.46Å; L348-T945 HydrophobicContact CD1-CG2 3.55Å
349	F	88.2	Confident	88.6	Confident	10 Å²	10	10.5 Å²	10.5	4%	0.044	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-85	148.3	174.7	-82.3	-115.3	0	0	0	109.7	R379 G380 F504 E505 W543 H707 T708 L711	F349-R379 HydrophobicContact CD2-CG 4.13Å; F349-R379 HydrophobicContact CE2-CG 4.25Å; F349-R379 HydrophobicContact CG-CG 4.41Å; F349-G380 VanDerWaalsContact CD1-CA 3.45Å; F349-F504 HydrophobicContact CE1-CB 4.11Å; F349-E505 HydrophobicContact CE1-CG 3.92Å; F349-E505 HydrophobicContact CE2-CG 4.11Å; F349-E505 HydrophobicContact CZ-CG 3.38Å; F349-W543 HydrophobicContact CD1-CH2 4.36Å; F349-W543 AromaticContact CD1-CZ3 3.94Å; F349-W543 HydrophobicContact CD1-CZ3 3.94Å; F349-W543 HydrophobicContact CE1-CE3 4.2Å; F349-W543 HydrophobicContact CE1-CH2 4.07Å; F349-W543 AromaticContact CE1-CZ3 3.34Å; F349-W543 HydrophobicContact CE1-CZ3 3.34Å; F349-W543 HydrophobicContact CZ-CE3 4.41Å; F349-W543 HydrophobicContact CZ-CH2 4.23Å; F349-W543 AromaticContact CZ-CZ3 3.69Å; F349-W543 HydrophobicContact CZ-CZ3 3.69Å; F349-H707 WeakPolarHBondContact CB-O 3.5Å; F349-T708 HydrophobicContact CB-CG2 4.32Å; F349-T708 VanDerWaalsContact O-CB 3.31Å; F349-T708 WeakPolarHBondContact O-CB 3.49Å; F349-L711 HydrophobicContact CD2-CD2 3.39Å; F349-L711 HydrophobicContact CE2-CD2 3.6Å; F349-L711 HydrophobicContact CG-CD2 4.11Å; F349-L711 HydrophobicContact CZ-CD2 4.48Å
350	G	85.8	Confident	88.2	Confident	1 Å²	1	11 Å²	11	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	12	-176.6	0	0	0	0	0	113.5	L352 R379	G350-L352 VanDerWaalsContact C-N 3.34Å; G350-L352 PolarHBondContact O-N 2.97Å; G350-R379 PolarHBondContact N-O 3.26Å
351	T	86.1	Confident	88.2	Confident	1 Å²	1	11 Å²	11	1%	0.006	6%	0.064	C	C	.	.			trans	-93	12.8	-168.5	48.3	0	0	0	0	113.9	D345 L348 S378 R379 W701 L702	D345-T351 HydrophobicContact CB-CG2 4.13Å; D345-T351 WeakPolarHBondContact O-CG2 3.46Å; L348-T351 HydrophobicContact CB-CG2 3.73Å; L348-T351 WeakPolarHBondContact O-CB 3.23Å; L348-T351 WeakPolarHBondContact O-CG2 3.46Å; L348-T351 PolarHBondContact O-OG1 3Å; T351-S378 WeakPolarHBondContact O-CB 3.22Å; T351-S378 PolarHBondContact O-OG 3.15Å; T351-S378 WeakPolarHBondContact OG1-CA 3.4Å; T351-R379 PolarHBondContact N-O 3.27Å; T351-R379 PolarHBondContact OG1-N 2.68Å; T351-R379 PolarHBondContact OG1-O 3.03Å; T351-R379 VanDerWaalsContact OG1-O 3.12Å; T351-W701 HydrophobicContact CG2-CH2 3.74Å; T351-W701 HydrophobicContact CG2-CZ3 3.68Å; T351-L702 HydrophobicContact CG2-CD2 3.43Å; T351-L702 VanDerWaalsContact CG2-CD2 3.43Å
352	L	87.9	Confident	88.5	Confident	9 Å²	9	10.9 Å²	10.9	5%	0.047	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-73	141.8	-171.5	-48.8	-176.7	0	0	0	111.8	I342 G350 D357 G380 P382 K394	I342-L352 HydrophobicContact CD1-CB 4.49Å; I342-L352 HydrophobicContact CD1-CD2 3.92Å; I342-L352 HydrophobicContact CG1-CD2 3.64Å; G350-L352 VanDerWaalsContact C-N 3.34Å; G350-L352 PolarHBondContact O-N 2.97Å; L352-D357 HydrophobicContact CB-CB 4.1Å; L352-D357 HydrophobicContact CD1-CB 4.25Å; L352-G380 WeakPolarHBondContact CD1-O 2.96Å; L352-P382 HydrophobicContact CD1-CB 4.31Å; L352-P382 HydrophobicContact CD1-CG 3.95Å; L352-K394 HydrophobicContact CD1-CB 3.39Å; L352-K394 HydrophobicContact CD1-CG 3.93Å; L352-K394 HydrophobicContact CD2-CB 4.32Å
353	N	84.9	Confident	88.8	Confident	15 Å²	15	10.9 Å²	10.9	8%	0.08	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-102	144.8	176.7	-76.3	-32	0	0	0	113.1	I342 G343 D345 A356 D357	I342-N353 PolarHBondContact O-N 3.05Å; G343-N353 WeakPolarHBondContact CA-ND2 3.35Å; D345-N353 PolarHBondContact OD2-ND2 3.07Å; N353-A356 WeakPolarHBondContact O-CB 2.94Å; N353-A356 PolarHBondContact O-N 3.48Å; N353-D357 PolarHBondContact O-N 2.86Å
354	N	84.5	Confident	89.4	Confident	4 Å²	4	10.7 Å²	10.7	2%	0.021	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-78.2	140.7	170	-166.2	-91.3	0	0	0	110.6	G315 G316 F319 D357 Q358	G315-N354 CarbonylContact C-O 3.54Å; G315-N354 WeakPolarHBondContact CA-O 3.32Å; G316-N354 PolarHBondContact N-O 2.89Å; G316-N354 VanDerWaalsContact N-O 3.11Å; G316-N354 WeakPolarHBondContact O-CB 3.39Å; G316-N354 PolarHBondContact O-N 2.87Å; F319-N354 HydrophobicContact CB-CB 4.26Å; N354-D357 VanDerWaalsContact CA-OD1 3.27Å; N354-D357 WeakPolarHBondContact CA-OD1 3.04Å; N354-D357 PolarHBondContact ND2-OD1 2.83Å; N354-Q358 WeakPolarHBondContact ND2-CG 3.38Å; N354-Q358 PolarHBondContact ND2-NE2 2.85Å; N354-Q358 VanDerWaalsContact ND2-NE2 3.18Å; N354-Q358 PolarHBondContact OD1-NE2 2.85Å
355	P	92.1	Very high	89.9	Confident	1 Å²	1	10 Å²	10	1%	0.006	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.6	9.6	5.4	37.2	-36.4	0	0	0	115.1	L312 F324 V328 L338 D357 Q358 V361	L312-P355 HydrophobicContact CD2-CG 3.53Å; F324-P355 HydrophobicContact CE1-CB 4Å; F324-P355 HydrophobicContact CE1-CG 3.94Å; F324-P355 HydrophobicContact CZ-CG 4.13Å; V328-P355 HydrophobicContact CG1-CB 4.35Å; V328-P355 HydrophobicContact CG2-CB 4.12Å; V328-P355 HydrophobicContact CG2-CG 4.47Å; L338-P355 HydrophobicContact CD2-CB 4.31Å; L338-P355 HydrophobicContact CD2-CG 3.76Å; P355-D357 PolarHBondContact O-N 3.12Å; P355-Q358 HydrophobicContact CB-CG 4.32Å; P355-Q358 WeakPolarHBondContact O-CB 2.95Å; P355-Q358 PolarHBondContact O-N 3.05Å; P355-V361 HydrophobicContact CB-CG2 4.26Å; P355-V361 VanDerWaalsContact O-CB 3.25Å; P355-V361 WeakPolarHBondContact O-CB 3.43Å; P355-V361 WeakPolarHBondContact O-CG1 3.22Å; P355-V361 WeakPolarHBondContact O-CG2 3.35Å
356	A	93.5	Very high	90.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.6	-176.7	0	0	0	0	0	113.7	A341 I342 N353 Q358 G363 K394	A341-A356 VanDerWaalsContact O-CB 3.22Å; A341-A356 WeakPolarHBondContact O-CB 3.31Å; I342-A356 HydrophobicContact CD1-CB 3.83Å; N353-A356 WeakPolarHBondContact O-CB 2.94Å; N353-A356 PolarHBondContact O-N 3.48Å; A356-Q358 VanDerWaalsContact C-N 3.34Å; A356-G363 WeakPolarHBondContact O-CA 3.45Å; A356-K394 WeakPolarHBondContact O-CE 3.39Å; A356-K394 PolarHBondContact O-NZ 2.7Å
357	D	91.3	Very high	90.9	Very high	3 Å²	3	8.6 Å²	8.6	2%	0.016	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-16.3	173	67.4	-17.1	0	0	0	114.2	L352 N353 N354 P355 P382 W384 K394	L352-D357 HydrophobicContact CB-CB 4.1Å; L352-D357 HydrophobicContact CD1-CB 4.25Å; N353-D357 PolarHBondContact O-N 2.86Å; N354-D357 VanDerWaalsContact CA-OD1 3.27Å; N354-D357 WeakPolarHBondContact CA-OD1 3.04Å; N354-D357 PolarHBondContact ND2-OD1 2.83Å; P355-D357 PolarHBondContact O-N 3.12Å; D357-P382 HydrophobicContact CB-CB 4.32Å; D357-P382 HydrophobicContact CB-CG 4.43Å; D357-W384 PolarHBondContact OD2-NE1 2.94Å; D357-K394 VanDerWaalsContact O-CE 3.32Å; D357-K394 WeakPolarHBondContact O-CE 3.34Å
358	Q	91.8	Very high	91	Very high	12 Å²	12	6.2 Å²	6.2	6%	0.056	3%	0.032	C	C	.	.	S	Bend	trans	-71.6	153.3	179.3	-60.1	-172.3	32.6	0	0	112.4	N354 P355 A356 V361 K394	N354-Q358 WeakPolarHBondContact ND2-CG 3.38Å; N354-Q358 PolarHBondContact ND2-NE2 2.85Å; N354-Q358 VanDerWaalsContact ND2-NE2 3.18Å; N354-Q358 PolarHBondContact OD1-NE2 2.85Å; P355-Q358 HydrophobicContact CB-CG 4.32Å; P355-Q358 WeakPolarHBondContact O-CB 2.95Å; P355-Q358 PolarHBondContact O-N 3.05Å; A356-Q358 VanDerWaalsContact C-N 3.34Å; Q358-V361 HydrophobicContact CB-CB 4.24Å; Q358-V361 HydrophobicContact CB-CG2 3.87Å; Q358-V361 PolarHBondContact O-N 2.93Å; Q358-K394 WeakPolarHBondContact O-CE 3.18Å; Q358-K394 PolarHBondContact O-NZ 3.43Å
359	M	91.3	Very high	90.9	Very high	23 Å²	23	4.8 Å²	4.8	11%	0.113	3%	0.026	C	C	.	.	S	Bend	trans	-74.5	-35.8	-167.6	-59.3	-46.3	-54.5	0	0	114.3	R392 K471 T562 V604	M359-R392 HydrophobicContact CE-CB 4.48Å; M359-R392 VanDerWaalsContact CE-CD 3.43Å; M359-R392 HydrophobicContact CE-CG 4.47Å; M359-R392 HydrophobicContact SD-CB 4.42Å; M359-R392 WeakPolarHBondContact SD-CD 3.45Å; M359-R392 HydrophobicContact SD-CG 4.45Å; M359-K471 PolarHBondContact O-NZ 2.85Å; M359-T562 HydrophobicContact CE-CG2 3.26Å; M359-T562 WeakPolarHBondContact CE-OG1 3.43Å; M359-V604 HydrophobicContact CB-CB 4.4Å; M359-V604 HydrophobicContact CB-CG1 3.73Å
360	D	91.3	Very high	90.6	Very high	11 Å²	11	6.7 Å²	6.7	6%	0.059	4%	0.036	C	C	.	.	S	Bend	trans	-84.7	-17	179.5	62.9	-45.9	0	0	0	112.9	S332 P602 V604	S332-D360 WeakPolarHBondContact CB-OD2 3.37Å; S332-D360 WeakPolarHBondContact OG-CB 3.19Å; S332-D360 PolarHBondContact OG-OD2 2.98Å; D360-P602 HydrophobicContact CB-CG 4.45Å; D360-V604 HydrophobicContact CB-CG2 4.31Å
361	V	96.2	Very high	90.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-82.3	140.2	173.2	-178.3	0	0	0	0	110.4	V328 L338 P355 Q358 G363 K394 D396 K471	V328-V361 HydrophobicContact CG1-CG2 3.44Å; V328-V361 VanDerWaalsContact CG1-CG2 3.44Å; L338-V361 HydrophobicContact CB-CG1 4.21Å; L338-V361 HydrophobicContact CB-CG2 4.21Å; L338-V361 HydrophobicContact CD2-CG1 4.18Å; L338-V361 HydrophobicContact CD2-CG2 3.86Å; L338-V361 HydrophobicContact CG-CG1 4.05Å; L338-V361 HydrophobicContact CG-CG2 4.38Å; L338-V361 WeakPolarHBondContact O-CG1 3.36Å; P355-V361 HydrophobicContact CB-CG2 4.26Å; P355-V361 VanDerWaalsContact O-CB 3.25Å; P355-V361 WeakPolarHBondContact O-CB 3.43Å; P355-V361 WeakPolarHBondContact O-CG1 3.22Å; P355-V361 WeakPolarHBondContact O-CG2 3.35Å; Q358-V361 HydrophobicContact CB-CB 4.24Å; Q358-V361 HydrophobicContact CB-CG2 3.87Å; Q358-V361 PolarHBondContact O-N 2.93Å; V361-G363 PolarHBondContact O-N 3.01Å; V361-K394 PolarHBondContact O-NZ 2.97Å; V361-D396 VanDerWaalsContact O-OD2 3.05Å; V361-K471 PolarHBondContact O-NZ 2.96Å
362	L	98.1	Very high	90.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	96.3	170.2	-176.1	68.7	0	0	0	109.1	L337 L338 V339 S340 V364 D396 I397 V426 V430 K471 L474	L337-L362 HydrophobicContact CD1-CB 4.15Å; L337-L362 HydrophobicContact CD2-CD2 4.37Å; L338-L362 PolarHBondContact O-N 3.23Å; V339-L362 HydrophobicContact CG1-CD2 4.33Å; V339-L362 HydrophobicContact CG2-CB 4.47Å; V339-L362 HydrophobicContact CG2-CD2 4.08Å; S340-L362 PolarHBondContact N-O 3.11Å; L362-V364 HydrophobicContact CG-CG2 4.26Å; L362-D396 HydrophobicContact CD1-CB 3.86Å; L362-I397 HydrophobicContact CD1-CD1 4.07Å; L362-I397 HydrophobicContact CD1-CG1 4.09Å; L362-I397 HydrophobicContact CD2-CD1 4.22Å; L362-I397 HydrophobicContact CG-CD1 4.35Å; L362-V426 HydrophobicContact CD2-CG1 3.56Å; L362-V430 HydrophobicContact CD2-CG2 4.26Å; L362-K471 HydrophobicContact CD1-CD 4.23Å; L362-K471 HydrophobicContact CD1-CG 4.01Å; L362-L474 HydrophobicContact CD2-CD1 3.6Å
363	G	97.4	Very high	90.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.6	176.5	0	0	0	0	0	111.3	A356 V361 D396	A356-G363 WeakPolarHBondContact O-CA 3.45Å; V361-G363 PolarHBondContact O-N 3.01Å; G363-D396 PolarHBondContact N-OD2 2.69Å; G363-D396 PolarHBondContact O-N 3.21Å
364	V	98.1	Very high	90.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121	-171.4	-175.5	0	0	0	0	111.2	V339 S340 I342 L362 I397 I399 A422 V426	V339-V364 HydrophobicContact CG1-CG2 3.7Å; S340-V364 PolarHBondContact O-N 2.99Å; I342-V364 WeakPolarHBondContact CB-O 3.36Å; I342-V364 WeakPolarHBondContact CG2-O 3.19Å; I342-V364 PolarHBondContact N-O 2.79Å; L362-V364 HydrophobicContact CG-CG2 4.26Å; V364-I397 HydrophobicContact CG2-CD1 4.49Å; V364-I397 HydrophobicContact CG2-CG1 4.44Å; V364-I399 HydrophobicContact CG1-CG2 3.85Å; V364-A422 HydrophobicContact CG1-CB 3.75Å; V364-V426 HydrophobicContact CB-CG2 4.36Å; V364-V426 HydrophobicContact CG1-CB 4.32Å; V364-V426 HydrophobicContact CG1-CG2 3.51Å; V364-V426 HydrophobicContact CG2-CB 3.9Å; V364-V426 HydrophobicContact CG2-CG1 3.92Å; V364-V426 HydrophobicContact CG2-CG2 3.88Å
365	G	95.6	Very high	90.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	171.3	171.1	0	0	0	0	0	114.1	S377 I397 V398 I399	G365-S377 WeakPolarHBondContact CA-OG 3.26Å; G365-I397 PolarHBondContact N-O 3.29Å; G365-V398 WeakPolarHBondContact O-CA 3.08Å; G365-I399 PolarHBondContact O-N 3.34Å
366	G	92.3	Very high	90.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.6	-174.2	0	0	0	0	0	113.7	A374 S377 I399 S401	G366-A374 WeakPolarHBondContact O-CB 3.28Å; G366-A374 PolarHBondContact O-N 3.29Å; G366-S377 PolarHBondContact N-OG 2.78Å; G366-I399 CarbonylContact C-O 3.56Å; G366-I399 WeakPolarHBondContact CA-O 2.83Å; G366-S401 WeakPolarHBondContact CA-OG 3.45Å
367	V	92	Very high	90.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	154.8	166.1	-58.3	0	0	0	0	112.4	R372 V398 I399 F400 S401 L481 L510	V367-R372 CarbonylContact C-O 3.6Å; V367-R372 WeakPolarHBondContact CA-O 3.34Å; V367-R372 WeakPolarHBondContact CB-O 3.41Å; V367-V398 HydrophobicContact CG1-CB 3.88Å; V367-V398 HydrophobicContact CG1-CG2 3.59Å; V367-I399 PolarHBondContact N-O 3.14Å; V367-F400 HydrophobicContact CG2-CB 4.39Å; V367-F400 HydrophobicContact CG2-CD1 3.57Å; V367-F400 HydrophobicContact CG2-CE1 3.92Å; V367-F400 HydrophobicContact CG2-CG 3.97Å; V367-F400 WeakPolarHBondContact O-CA 3.25Å; V367-S401 PolarHBondContact O-N 3.21Å; V367-L481 HydrophobicContact CG1-CD1 4Å; V367-L481 HydrophobicContact CG1-CD2 4.1Å; V367-L510 HydrophobicContact CG2-CD1 3.73Å
368	D	87.1	Confident	90.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	7%	0.072	C	C	.	.			trans	-81.8	178.3	175.2	83.5	-2.1	0	0	0	113.3	T157 L370 G371 R372 F400 T402	T157-D368 HydrophobicContact CG2-CB 4.02Å; D368-L370 PolarHBondContact O-N 3.19Å; D368-L370 VanDerWaalsContact O-N 3.11Å; D368-L370 WeakPolarHBondContact OD1-CA 3.46Å; D368-L370 WeakPolarHBondContact OD1-CB 3.32Å; D368-L370 PolarHBondContact OD1-N 2.85Å; D368-G371 PolarHBondContact O-N 3.13Å; D368-G371 PolarHBondContact OD1-N 3.18Å; D368-R372 PolarHBondContact N-O 2.79Å; D368-R372 PolarHBondContact OD1-N 3.29Å; D368-R372 IonicContact OD1-NE 2.81Å; D368-R372 IonicContact OD2-CZ 3.53Å; D368-R372 IonicContact OD2-NE 3.25Å; D368-R372 PolarHBondContact OD2-NE 3.36Å; D368-R372 IonicContact OD2-NH2 3.12Å; D368-R372 PolarHBondContact OD2-NH2 2.99Å; D368-F400 WeakPolarHBondContact O-CD1 3.14Å; D368-F400 WeakPolarHBondContact O-CE1 3.38Å; D368-T402 VanDerWaalsContact CA-OG1 3.31Å; D368-T402 WeakPolarHBondContact CA-OG1 3.22Å; D368-T402 HydrophobicContact CB-CG2 3.98Å
369	A	84.3	Confident	90.2	Very high	10 Å²	10	16.2 Å²	16.2	8%	0.083	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.6	179.8	0	0	0	0	0	115.4	L158 P159 L160 T402 V486	L158-A369 HydrophobicContact CB-CB 4.19Å; L158-A369 WeakPolarHBondContact O-CB 3.41Å; L158-A369 PolarHBondContact O-N 3.09Å; P159-A369 VanDerWaalsContact O-CB 3.25Å; P159-A369 WeakPolarHBondContact O-CB 3.47Å; L160-A369 HydrophobicContact CD2-CB 3.93Å; L160-A369 HydrophobicContact CG-CB 4.41Å; A369-T402 PolarHBondContact N-OG1 3.16Å; A369-V486 WeakPolarHBondContact O-CG1 3.28Å
370	L	81.7	Confident	90.2	Very high	50 Å²	50	15.1 Å²	15.1	26%	0.262	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-0	172.4	-64.3	-178.5	0	0	0	112.5	L158 D368 R372 V486 T489	L158-L370 HydrophobicContact CD1-CD1 3.34Å; L158-L370 HydrophobicContact CD1-CD2 4.35Å; L158-L370 HydrophobicContact CD1-CG 3.57Å; D368-L370 PolarHBondContact O-N 3.19Å; D368-L370 VanDerWaalsContact O-N 3.11Å; D368-L370 WeakPolarHBondContact OD1-CA 3.46Å; D368-L370 WeakPolarHBondContact OD1-CB 3.32Å; D368-L370 PolarHBondContact OD1-N 2.85Å; L370-R372 VanDerWaalsContact C-N 3.29Å; L370-R372 HydrophobicContact CB-CG 4.18Å; L370-V486 VanDerWaalsContact C-CG2 3.47Å; L370-V486 WeakPolarHBondContact O-CG2 3.38Å; L370-T489 HydrophobicContact CD2-CG2 3.9Å
371	G	85.8	Confident	90	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	6%	0.064	C	C	.	.	S	Bend	trans	75	22.4	-174.3	0	0	0	0	0	112.3	D368	D368-G371 PolarHBondContact O-N 3.13Å; D368-G371 PolarHBondContact OD1-N 3.18Å
372	R	87.8	Confident	89.5	Confident	75 Å²	75	14.6 Å²	14.6	28%	0.283	6%	0.064	S	C	.	.	S	Bend	trans	-93.4	148.8	173.6	-57.5	175.7	-59.2	178.2	6.4	110.8	V367 D368 L370 A374 D499	V367-R372 CarbonylContact C-O 3.6Å; V367-R372 WeakPolarHBondContact CA-O 3.34Å; V367-R372 WeakPolarHBondContact CB-O 3.41Å; D368-R372 PolarHBondContact N-O 2.79Å; D368-R372 PolarHBondContact OD1-N 3.29Å; D368-R372 IonicContact OD1-NE 2.81Å; D368-R372 IonicContact OD2-CZ 3.53Å; D368-R372 IonicContact OD2-NE 3.25Å; D368-R372 PolarHBondContact OD2-NE 3.36Å; D368-R372 IonicContact OD2-NH2 3.12Å; D368-R372 PolarHBondContact OD2-NH2 2.99Å; L370-R372 VanDerWaalsContact C-N 3.29Å; L370-R372 HydrophobicContact CB-CG 4.18Å; R372-A374 PolarHBondContact O-N 2.94Å; R372-D499 WeakPolarHBondContact CA-OD2 3.33Å; R372-D499 HydrophobicContact CB-CB 4.45Å; R372-D499 HydrophobicContact CG-CB 4.13Å
373	V	90.5	Very high	88.5	Confident	14 Å²	14	14.9 Å²	14.9	9%	0.085	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-52.9	118.8	173.5	-179.5	0	0	0	0	109.7	R375 L481 D499 S501 E505 Q506	V373-R375 PolarHBondContact O-N 3.1Å; V373-L481 HydrophobicContact CG2-CD1 3.55Å; V373-D499 PolarHBondContact N-OD2 3.2Å; V373-S501 WeakPolarHBondContact CG2-OG 3.45Å; V373-E505 HydrophobicContact CG2-CB 4.14Å; V373-Q506 HydrophobicContact CG2-CB 4.3Å
374	A	86.5	Confident	87.5	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.085	C	C	.	.	P	Polyproline II helix	trans	-62	138	-176.8	0	0	0	0	0	109	T157 G366 R372 F376 S377 R379 T402	T157-A374 HydrophobicContact CG2-CB 4.02Å; G366-A374 WeakPolarHBondContact O-CB 3.28Å; G366-A374 PolarHBondContact O-N 3.29Å; R372-A374 PolarHBondContact O-N 2.94Å; A374-F376 HydrophobicContact CB-CD1 4.29Å; A374-F376 HydrophobicContact CB-CE1 3.85Å; A374-F376 HydrophobicContact CB-CE2 4.04Å; A374-F376 HydrophobicContact CB-CZ 3.69Å; A374-F376 PolarHBondContact O-N 2.93Å; A374-F376 VanDerWaalsContact O-N 3.12Å; A374-S377 WeakPolarHBondContact O-CB 3.4Å; A374-S377 PolarHBondContact O-N 3.3Å; A374-R379 PolarHBondContact O-NH2 2.93Å; A374-T402 HydrophobicContact CB-CG2 3.8Å
375	R	84.5	Confident	86.5	Confident	102 Å²	102	20.1 Å²	20.1	39%	0.385	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.2	-172.2	-171.8	177.3	166.9	175.9	-0.2	113.7	P155 T157 G346 P347 V373 S377 R379	P155-R375 PolarHBondContact O-NH1 2.72Å; T157-R375 WeakPolarHBondContact OG1-CB 3.44Å; T157-R375 PolarHBondContact OG1-N 3.42Å; G346-R375 CarbonylContact C-O 3.56Å; G346-R375 WeakPolarHBondContact CA-O 3.16Å; P347-R375 WeakPolarHBondContact CA-O 2.95Å; P347-R375 HydrophobicContact CB-CG 4.06Å; P347-R375 WeakPolarHBondContact CB-O 3.28Å; P347-R375 HydrophobicContact CG-CG 3.92Å; P347-R375 VanDerWaalsContact N-O 3.08Å; V373-R375 PolarHBondContact O-N 3.1Å; R375-S377 VanDerWaalsContact C-N 3.34Å; R375-R379 PolarHBondContact O-NH2 2.93Å
376	F	81.1	Confident	85.4	Confident	38 Å²	38	20.5 Å²	20.5	17%	0.167	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.1	176.3	61.1	-106.8	0	0	0	113.4	T157 N344 D345 G346 A374 S378 S401 T402 T419	T157-F376 HydrophobicContact CG2-CD1 4.39Å; T157-F376 HydrophobicContact CG2-CE1 4Å; N344-F376 CarbonylContact C-O 3.59Å; N344-F376 WeakPolarHBondContact CA-O 3.45Å; N344-F376 WeakPolarHBondContact OD1-CD2 3.35Å; D345-F376 PolarHBondContact N-O 3.06Å; G346-F376 PolarHBondContact N-O 3.28Å; A374-F376 HydrophobicContact CB-CD1 4.29Å; A374-F376 HydrophobicContact CB-CE1 3.85Å; A374-F376 HydrophobicContact CB-CE2 4.04Å; A374-F376 HydrophobicContact CB-CZ 3.69Å; A374-F376 PolarHBondContact O-N 2.93Å; A374-F376 VanDerWaalsContact O-N 3.12Å; F376-S378 PolarHBondContact O-N 3.47Å; F376-S378 VanDerWaalsContact O-N 3.11Å; F376-S401 WeakPolarHBondContact CZ-OG 3.05Å; F376-T402 HydrophobicContact CE1-CG2 3.84Å; F376-T402 HydrophobicContact CZ-CG2 3.93Å; F376-T419 HydrophobicContact CD2-CG2 4.37Å; F376-T419 HydrophobicContact CE2-CG2 4.12Å
377	S	89.4	Confident	84.1	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-61.5	122.1	-172.9	-174.7	0	0	0	0	109.9	G365 G366 A374 R375 R379	G365-S377 WeakPolarHBondContact CA-OG 3.26Å; G366-S377 PolarHBondContact N-OG 2.78Å; A374-S377 WeakPolarHBondContact O-CB 3.4Å; A374-S377 PolarHBondContact O-N 3.3Å; R375-S377 VanDerWaalsContact C-N 3.34Å; S377-R379 VanDerWaalsContact O-CZ 3.25Å; S377-R379 PolarHBondContact O-NE 3.1Å; S377-R379 PolarHBondContact O-NH2 3.29Å
378	S	90.4	Very high	83.1	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.			trans	-58.6	147.1	171.8	-64.8	0	0	0	0	111.2	I342 G343 N344 D345 T351 F376	I342-S378 WeakPolarHBondContact CG2-O 3.08Å; I342-S378 WeakPolarHBondContact O-CB 3.36Å; G343-S378 WeakPolarHBondContact CA-OG 3.17Å; G343-S378 PolarHBondContact O-N 3.49Å; G343-S378 VanDerWaalsContact O-N 3.09Å; G343-S378 PolarHBondContact O-OG 3.03Å; N344-S378 PolarHBondContact N-OG 3.42Å; D345-S378 WeakPolarHBondContact CB-OG 3.19Å; D345-S378 PolarHBondContact N-OG 2.84Å; T351-S378 WeakPolarHBondContact O-CB 3.22Å; T351-S378 PolarHBondContact O-OG 3.15Å; T351-S378 WeakPolarHBondContact OG1-CA 3.4Å; F376-S378 PolarHBondContact O-N 3.47Å; F376-S378 VanDerWaalsContact O-N 3.11Å
379	R	92.3	Very high	82.2	Confident	14 Å²	14	23 Å²	23	5%	0.053	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-158.1	174	-172.8	68.4	-160.3	73.5	174.2	1.4	112.3	P347 L348 F349 G350 T351 A374 R375 S377 E505	P347-R379 WeakPolarHBondContact O-CD 3.3Å; L348-R379 WeakPolarHBondContact O-CG 3.29Å; F349-R379 HydrophobicContact CD2-CG 4.13Å; F349-R379 HydrophobicContact CE2-CG 4.25Å; F349-R379 HydrophobicContact CG-CG 4.41Å; G350-R379 PolarHBondContact N-O 3.26Å; T351-R379 PolarHBondContact N-O 3.27Å; T351-R379 PolarHBondContact OG1-N 2.68Å; T351-R379 PolarHBondContact OG1-O 3.03Å; T351-R379 VanDerWaalsContact OG1-O 3.12Å; A374-R379 PolarHBondContact O-NH2 2.93Å; R375-R379 PolarHBondContact O-NH2 2.93Å; S377-R379 VanDerWaalsContact O-CZ 3.25Å; S377-R379 PolarHBondContact O-NE 3.1Å; S377-R379 PolarHBondContact O-NH2 3.29Å; R379-E505 HydrophobicContact CB-CB 4.26Å; R379-E505 HydrophobicContact CB-CG 4.14Å; R379-E505 HydrophobicContact CG-CG 4.24Å; R379-E505 IonicContact NH1-OE1 3.49Å
380	G	91.3	Very high	81.9	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	96.4	-169.8	-176.1	0	0	0	0	0	112.1	F349 L352 F504	F349-G380 VanDerWaalsContact CD1-CA 3.45Å; L352-G380 WeakPolarHBondContact CD1-O 2.96Å; G380-F504 WeakPolarHBondContact CA-O 3.18Å; G380-F504 PolarHBondContact N-O 2.83Å
381	M	87.9	Confident	82	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-83.3	159.7	173.8	64.6	-95.2	-175.2	0	0	111.9	G383 L386 Y390 R391 F504 H705 H707 T708	M381-G383 PolarHBondContact O-N 2.74Å; M381-L386 HydrophobicContact CE-CD1 4.46Å; M381-L386 HydrophobicContact CE-CD2 3.72Å; M381-L386 HydrophobicContact CG-CD2 4.42Å; M381-Y390 WeakPolarHBondContact CB-O 3.25Å; M381-Y390 HydrophobicContact CE-CD1 4.31Å; M381-Y390 HydrophobicContact CE-CG 4.38Å; M381-Y390 WeakPolarHBondContact CG-O 3.48Å; M381-Y390 HydrophobicContact SD-CD1 3.43Å; M381-Y390 WeakPolarHBondContact SD-CD1 3.48Å; M381-Y390 HydrophobicContact SD-CE1 4.17Å; M381-Y390 HydrophobicContact SD-CG 3.82Å; M381-R391 HydrophobicContact CB-CB 4.29Å; M381-R391 HydrophobicContact CG-CB 4.47Å; M381-F504 HydrophobicContact CB-CD1 4.25Å; M381-F504 HydrophobicContact CB-CE1 4.2Å; M381-H705 HydrophobicContact CE-CB 4.36Å; M381-H707 HydrophobicContact CE-CB 4.35Å; M381-T708 HydrophobicContact CE-CG2 3.69Å; M381-T708 HydrophobicContact SD-CG2 4.49Å
382	P	85.3	Confident	82.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.107	C	C	.	.			trans	-60.3	122.3	171.9	-19.1	30.4	0	0	0	111	L352 D357 W384 E385 R392 K394	L352-P382 HydrophobicContact CD1-CB 4.31Å; L352-P382 HydrophobicContact CD1-CG 3.95Å; D357-P382 HydrophobicContact CB-CB 4.32Å; D357-P382 HydrophobicContact CB-CG 4.43Å; P382-W384 PolarHBondContact O-N 3.12Å; P382-E385 HydrophobicContact CB-CG 4.08Å; P382-E385 HydrophobicContact CG-CG 4.48Å; P382-E385 PolarHBondContact O-N 3.2Å; P382-R392 WeakPolarHBondContact CD-O 3.38Å; P382-K394 HydrophobicContact CG-CG 4.29Å
383	G	78	Confident	82.5	Confident	6 Å²	6	20.6 Å²	20.6	6%	0.062	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-63.6	-39.7	-178.5	0	0	0	0	0	112.9	M381 E385 L386	M381-G383 PolarHBondContact O-N 2.74Å; G383-E385 PolarHBondContact O-N 3.24Å; G383-L386 VanDerWaalsContact O-CB 3.3Å; G383-L386 WeakPolarHBondContact O-CB 3.42Å; G383-L386 WeakPolarHBondContact O-CG 3.5Å; G383-L386 PolarHBondContact O-N 3.02Å
384	W	75.3	Confident	82.7	Confident	98 Å²	98	19.9 Å²	19.9	37%	0.371	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-63.3	-17.4	177	67.5	-97.2	0	0	0	113.9	F319 D357 P382	F319-W384 HydrophobicContact CB-CG 4.44Å; F319-W384 HydrophobicContact CD1-CB 4.39Å; F319-W384 HydrophobicContact CD2-CB 3.49Å; F319-W384 VanDerWaalsContact CD2-CB 3.49Å; F319-W384 AromaticContact CD2-CG 3.96Å; F319-W384 HydrophobicContact CD2-CG 3.96Å; F319-W384 HydrophobicContact CE1-CB 4.48Å; F319-W384 HydrophobicContact CE2-CB 3.54Å; F319-W384 HydrophobicContact CE2-CG 4.48Å; F319-W384 HydrophobicContact CG-CB 3.95Å; F319-W384 HydrophobicContact CG-CG 4.1Å; F319-W384 HydrophobicContact CZ-CB 4.09Å; D357-W384 PolarHBondContact OD2-NE1 2.94Å; P382-W384 PolarHBondContact O-N 3.12Å
385	E	77	Confident	83.2	Confident	12 Å²	12	19.9 Å²	19.9	6%	0.056	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-75.2	-32.5	174.5	-67.2	-170.3	-170.7	0	0	111.2	P382 G383 R391 R392	P382-E385 HydrophobicContact CB-CG 4.08Å; P382-E385 HydrophobicContact CG-CG 4.48Å; P382-E385 PolarHBondContact O-N 3.2Å; G383-E385 PolarHBondContact O-N 3.24Å; E385-R391 HydrophobicContact CB-CB 4.42Å; E385-R391 HydrophobicContact CB-CG 4.44Å; E385-R391 WeakPolarHBondContact O-CD 3.22Å; E385-R391 PolarHBondContact O-NE 3.11Å; E385-R391 PolarHBondContact O-NH1 3.4Å; E385-R391 PolarHBondContact O-NH2 2.94Å; E385-R392 WeakPolarHBondContact OE1-CD 3.41Å; E385-R392 IonicContact OE1-CZ 3.5Å; E385-R392 IonicContact OE1-NE 3.58Å; E385-R392 IonicContact OE1-NH1 3.43Å; E385-R392 PolarHBondContact OE1-NH1 3.44Å; E385-R392 WeakPolarHBondContact OE2-CG 3.34Å; E385-R392 IonicContact OE2-NE 2.69Å; E385-R392 IonicContact OE2-NH1 3.32Å
386	L	73.4	Confident	83.9	Confident	8 Å²	8	15.3 Å²	15.3	4%	0.042	7%	0.074	C	C	.	.			trans	-43.3	152.1	-173.8	-70.2	-177.6	0	0	0	115.7	M381 G383 G389 R391 H681 H705	M381-L386 HydrophobicContact CE-CD1 4.46Å; M381-L386 HydrophobicContact CE-CD2 3.72Å; M381-L386 HydrophobicContact CG-CD2 4.42Å; G383-L386 VanDerWaalsContact O-CB 3.3Å; G383-L386 WeakPolarHBondContact O-CB 3.42Å; G383-L386 WeakPolarHBondContact O-CG 3.5Å; G383-L386 PolarHBondContact O-N 3.02Å; L386-G389 WeakPolarHBondContact CD2-O 3.41Å; L386-R391 VanDerWaalsContact C-NH2 3.28Å; L386-R391 VanDerWaalsContact CA-NE 3.32Å; L386-R391 PolarHBondContact O-NH2 2.95Å; L386-H681 HydrophobicContact CB-CB 3.81Å; L386-H681 VanDerWaalsContact O-CG 3.24Å; L386-H681 PolarHBondContact O-ND1 3.03Å; L386-H705 HydrophobicContact CD1-CB 4.01Å; L386-H705 VanDerWaalsContact CD2-CD2 3.4Å; L386-H705 WeakPolarHBondContact CD2-CD2 3.41Å
387	P	64.1	Low	84.7	Confident	21 Å²	21	13.5 Å²	13.5	14%	0.136	7%	0.066	C	C	.	.	S	Bend	cis	-106.2	-1.1	27.2	34.5	-29.7	0	0	0	117.3	G389 Q676 H681 T728	P387-G389 PolarHBondContact O-N 3.3Å; P387-Q676 HydrophobicContact CB-CG 3.64Å; P387-H681 VanDerWaalsContact CB-CE1 3.41Å; P387-H681 WeakPolarHBondContact CB-CE1 3.34Å; P387-H681 VanDerWaalsContact CB-ND1 3.32Å; P387-H681 WeakPolarHBondContact CB-ND1 3.46Å; P387-H681 WeakPolarHBondContact CD-CE1 3.42Å; P387-H681 WeakPolarHBondContact CD-ND1 3.38Å; P387-H681 WeakPolarHBondContact CG-CE1 2.99Å; P387-H681 VanDerWaalsContact N-ND1 3.17Å; P387-T728 WeakPolarHBondContact O-CG2 3.26Å
388	A	70.5	Confident	85.1	Confident	18 Å²	18	13.5 Å²	13.5	15%	0.149	7%	0.066	C	C	.	.	S	Bend	trans	-74.1	80.6	-170.7	0	0	0	0	0	114.4	R391 I558	A388-R391 VanDerWaalsContact CB-NH2 3.32Å; A388-R391 WeakPolarHBondContact O-CG 3.19Å; A388-I558 HydrophobicContact CB-CD1 3.89Å
389	G	69	Low	85.3	Confident	14 Å²	14	13.5 Å²	13.5	14%	0.144	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	-152.3	174.6	0	0	0	0	0	114.1	L386 P387	L386-G389 WeakPolarHBondContact CD2-O 3.41Å; P387-G389 PolarHBondContact O-N 3.3Å
390	Y	78.5	Confident	85.4	Confident	4 Å²	4	13.1 Å²	13.1	2%	0.016	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.5	-177.7	-91.8	-106.3	0	0	0	115.9	M381 F504 W543 P544 H707	M381-Y390 WeakPolarHBondContact CB-O 3.25Å; M381-Y390 HydrophobicContact CE-CD1 4.31Å; M381-Y390 HydrophobicContact CE-CG 4.38Å; M381-Y390 WeakPolarHBondContact CG-O 3.48Å; M381-Y390 HydrophobicContact SD-CD1 3.43Å; M381-Y390 WeakPolarHBondContact SD-CD1 3.48Å; M381-Y390 HydrophobicContact SD-CE1 4.17Å; M381-Y390 HydrophobicContact SD-CG 3.82Å; Y390-F504 HydrophobicContact CD1-CD2 4.44Å; Y390-F504 HydrophobicContact CD1-CE2 4.41Å; Y390-F504 WeakPolarHBondContact O-CE1 2.99Å; Y390-W543 HydrophobicContact CD1-CZ3 4.49Å; Y390-W543 HydrophobicContact CE1-CE3 4.11Å; Y390-W543 AromaticContact CE1-CH2 3.64Å; Y390-W543 HydrophobicContact CE1-CH2 3.64Å; Y390-W543 HydrophobicContact CE1-CZ2 4.48Å; Y390-W543 AromaticContact CE1-CZ3 3.38Å; Y390-W543 HydrophobicContact CE1-CZ3 3.38Å; Y390-W543 AromaticContact CZ-CH2 3.58Å; Y390-W543 AromaticContact CZ-CZ3 3.72Å; Y390-W543 WeakPolarHBondContact OH-CH2 2.92Å; Y390-W543 WeakPolarHBondContact OH-CZ2 3.14Å; Y390-W543 WeakPolarHBondContact OH-CZ3 3.1Å; Y390-P544 HydrophobicContact CD1-CB 4.48Å; Y390-P544 HydrophobicContact CD1-CG 3.81Å; Y390-P544 HydrophobicContact CD2-CB 3.81Å; Y390-P544 HydrophobicContact CD2-CG 3.23Å; Y390-P544 HydrophobicContact CE1-CB 4.05Å; Y390-P544 HydrophobicContact CE1-CG 3.88Å; Y390-P544 HydrophobicContact CE2-CB 3.04Å; Y390-P544 HydrophobicContact CE2-CG 3.05Å; Y390-P544 HydrophobicContact CG-CB 4.33Å; Y390-P544 HydrophobicContact CG-CG 3.45Å; Y390-P544 VanDerWaalsContact CG-CG 3.45Å; Y390-P544 VanDerWaalsContact CZ-CG 3.46Å; Y390-P544 WeakPolarHBondContact OH-CB 3.02Å; Y390-H707 HydrophobicContact CD1-CB 4.41Å; Y390-H707 HydrophobicContact CD2-CB 4.03Å; Y390-H707 AromaticContact CD2-CE1 3.66Å; Y390-H707 AromaticContact CD2-CG 3.66Å; Y390-H707 AromaticContact CD2-ND1 3.18Å; Y390-H707 WeakPolarHBondContact CD2-ND1 3.38Å; Y390-H707 HydrophobicContact CE1-CB 3.64Å; Y390-H707 HydrophobicContact CE2-CB 3.38Å; Y390-H707 AromaticContact CE2-CD2 3.24Å; Y390-H707 WeakPolarHBondContact CE2-CD2 3.5Å; Y390-H707 AromaticContact CE2-CE1 3.12Å; Y390-H707 WeakPolarHBondContact CE2-CE1 3.41Å; Y390-H707 AromaticContact CE2-CG 2.85Å; Y390-H707 AromaticContact CE2-ND1 2.78Å; Y390-H707 WeakPolarHBondContact CE2-ND1 3.16Å; Y390-H707 AromaticContact CE2-NE2 3.38Å; Y390-H707 WeakPolarHBondContact CE2-NE2 3.32Å; Y390-H707 AromaticContact CZ-CD2 3.4Å; Y390-H707 AromaticContact CZ-CG 3.07Å; Y390-H707 AromaticContact CZ-ND1 3.56Å; Y390-H707 WeakPolarHBondContact OH-CB 3.34Å; Y390-H707 PolarHBondContact OH-CD2 2.59Å
391	R	83.6	Confident	85.3	Confident	43 Å²	43	13.1 Å²	13.1	16%	0.162	6%	0.064	C	C	.	.			trans	51.1	-144.3	168.6	-54.7	-162.3	164.7	-116.3	11	114.8	M381 E385 L386 A388	M381-R391 HydrophobicContact CB-CB 4.29Å; M381-R391 HydrophobicContact CG-CB 4.47Å; E385-R391 HydrophobicContact CB-CB 4.42Å; E385-R391 HydrophobicContact CB-CG 4.44Å; E385-R391 WeakPolarHBondContact O-CD 3.22Å; E385-R391 PolarHBondContact O-NE 3.11Å; E385-R391 PolarHBondContact O-NH1 3.4Å; E385-R391 PolarHBondContact O-NH2 2.94Å; L386-R391 VanDerWaalsContact C-NH2 3.28Å; L386-R391 VanDerWaalsContact CA-NE 3.32Å; L386-R391 PolarHBondContact O-NH2 2.95Å; A388-R391 VanDerWaalsContact CB-NH2 3.32Å; A388-R391 WeakPolarHBondContact O-CG 3.19Å
392	R	89.7	Confident	85.2	Confident	35 Å²	35	13.1 Å²	13.1	13%	0.132	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-87	145.4	-167.1	-66.9	-174.1	-172.6	132.3	-3.8	112.4	M359 P382 E385 K394 F504 N560	M359-R392 HydrophobicContact CE-CB 4.48Å; M359-R392 VanDerWaalsContact CE-CD 3.43Å; M359-R392 HydrophobicContact CE-CG 4.47Å; M359-R392 HydrophobicContact SD-CB 4.42Å; M359-R392 WeakPolarHBondContact SD-CD 3.45Å; M359-R392 HydrophobicContact SD-CG 4.45Å; P382-R392 WeakPolarHBondContact CD-O 3.38Å; E385-R392 WeakPolarHBondContact OE1-CD 3.41Å; E385-R392 IonicContact OE1-CZ 3.5Å; E385-R392 IonicContact OE1-NE 3.58Å; E385-R392 IonicContact OE1-NH1 3.43Å; E385-R392 PolarHBondContact OE1-NH1 3.44Å; E385-R392 WeakPolarHBondContact OE2-CG 3.34Å; E385-R392 IonicContact OE2-NE 2.69Å; E385-R392 IonicContact OE2-NH1 3.32Å; R392-K394 PolarHBondContact O-N 2.86Å; R392-F504 WeakPolarHBondContact O-CE1 3.48Å; R392-N560 HydrophobicContact CG-CB 3.54Å
393	V	94.3	Very high	85.1	Confident	5 Å²	5	13.3 Å²	13.3	3%	0.03	7%	0.067	C	C	.	.			trans	-72.2	124.6	-179.6	-179.7	0	0	0	0	110.9	M503 F504	V393-M503 HydrophobicContact CG1-CB 4.11Å; V393-M503 HydrophobicContact CG1-CG 4.21Å; V393-M503 VanDerWaalsContact CG1-O 3.23Å; V393-M503 WeakPolarHBondContact CG1-O 3.21Å; V393-M503 HydrophobicContact CG2-CG 3.95Å; V393-M503 HydrophobicContact CG2-SD 3.45Å; V393-M503 WeakPolarHBondContact CG2-SD 2.93Å; V393-F504 HydrophobicContact CG2-CE1 4.06Å; V393-F504 HydrophobicContact CG2-CZ 4.05Å
394	K	95.4	Very high	85.5	Confident	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.			trans	-143.2	155.6	167.9	-77.8	-66.4	-178.3	160.5	0	109.5	I342 L352 A356 D357 Q358 V361 P382 R392 D396 F504	I342-K394 HydrophobicContact CD1-CB 4.44Å; L352-K394 HydrophobicContact CD1-CB 3.39Å; L352-K394 HydrophobicContact CD1-CG 3.93Å; L352-K394 HydrophobicContact CD2-CB 4.32Å; A356-K394 WeakPolarHBondContact O-CE 3.39Å; A356-K394 PolarHBondContact O-NZ 2.7Å; D357-K394 VanDerWaalsContact O-CE 3.32Å; D357-K394 WeakPolarHBondContact O-CE 3.34Å; Q358-K394 WeakPolarHBondContact O-CE 3.18Å; Q358-K394 PolarHBondContact O-NZ 3.43Å; V361-K394 PolarHBondContact O-NZ 2.97Å; P382-K394 HydrophobicContact CG-CG 4.29Å; R392-K394 PolarHBondContact O-N 2.86Å; K394-D396 IonicContact NZ-OD1 3.33Å; K394-D396 IonicContact NZ-OD2 2.82Å; K394-D396 PolarHBondContact NZ-OD2 2.74Å; K394-F504 CarbonylContact O-C 3.4Å; K394-F504 WeakPolarHBondContact O-CA 3.35Å
395	P	96.8	Very high	86.2	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.			cis	-59.7	170.6	-9.7	28.9	-36.2	0	0	0	112.1	I342 V398 E505 G507	I342-P395 HydrophobicContact CB-CB 4.33Å; I342-P395 HydrophobicContact CD1-CB 4.09Å; I342-P395 HydrophobicContact CG1-CB 3.96Å; P395-V398 HydrophobicContact CG-CG1 3.84Å; P395-E505 WeakPolarHBondContact CD-O 3.07Å; P395-E505 WeakPolarHBondContact CG-O 3.26Å; P395-G507 WeakPolarHBondContact O-CA 3.2Å
396	D	98	Very high	86.8	Confident	5 Å²	5	8.9 Å²	8.9	3%	0.027	5%	0.05	C	C	.	.	S	Bend	trans	-72	-39.3	175.7	-65.1	-73.6	0	0	0	111.1	V361 L362 G363 K394 K471 A508 M530	V361-D396 VanDerWaalsContact O-OD2 3.05Å; L362-D396 HydrophobicContact CD1-CB 3.86Å; G363-D396 PolarHBondContact N-OD2 2.69Å; G363-D396 PolarHBondContact O-N 3.21Å; K394-D396 IonicContact NZ-OD1 3.33Å; K394-D396 IonicContact NZ-OD2 2.82Å; K394-D396 PolarHBondContact NZ-OD2 2.74Å; D396-K471 VanDerWaalsContact CG-CE 3.41Å; D396-K471 WeakPolarHBondContact OD1-CE 3.38Å; D396-K471 IonicContact OD1-NZ 3.07Å; D396-K471 PolarHBondContact OD1-NZ 2.84Å; D396-K471 IonicContact OD2-NZ 3.58Å; D396-K471 PolarHBondContact OD2-NZ 3.3Å; D396-A508 PolarHBondContact O-N 3.01Å; D396-M530 WeakPolarHBondContact O-CE 3.15Å
397	I	98	Very high	87.6	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	166.2	-177.8	50.4	166.2	0	0	0	109.9	L362 V364 G365 V426 L474 I475 A478 V511	L362-I397 HydrophobicContact CD1-CD1 4.07Å; L362-I397 HydrophobicContact CD1-CG1 4.09Å; L362-I397 HydrophobicContact CD2-CD1 4.22Å; L362-I397 HydrophobicContact CG-CD1 4.35Å; V364-I397 HydrophobicContact CG2-CD1 4.49Å; V364-I397 HydrophobicContact CG2-CG1 4.44Å; G365-I397 PolarHBondContact N-O 3.29Å; I397-V426 HydrophobicContact CD1-CG1 3.9Å; I397-V426 HydrophobicContact CD1-CG2 4.11Å; I397-L474 HydrophobicContact CD1-CB 4.39Å; I397-L474 HydrophobicContact CD1-CD1 4.25Å; I397-I475 HydrophobicContact CG2-CG1 4.43Å; I397-A478 HydrophobicContact CG2-CB 4.25Å; I397-V511 HydrophobicContact CB-CG2 4.36Å; I397-V511 HydrophobicContact CD1-CG2 3.57Å; I397-V511 HydrophobicContact CG1-CG2 4.42Å
398	V	97.4	Very high	88.7	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155	174.2	-64	0	0	0	0	112.9	G365 V367 P395 L481 Q506 G509 L510 V511	G365-V398 WeakPolarHBondContact O-CA 3.08Å; V367-V398 HydrophobicContact CG1-CB 3.88Å; V367-V398 HydrophobicContact CG1-CG2 3.59Å; P395-V398 HydrophobicContact CG-CG1 3.84Å; V398-L481 HydrophobicContact CG2-CD1 4.31Å; V398-L481 HydrophobicContact CG2-CD2 3.98Å; V398-L481 HydrophobicContact CG2-CG 4.45Å; V398-Q506 HydrophobicContact CG2-CB 4.32Å; V398-G509 PolarHBondContact N-O 3.14Å; V398-L510 WeakPolarHBondContact O-CA 2.86Å; V398-V511 PolarHBondContact O-N 2.68Å; V398-V511 VanDerWaalsContact O-N 3.11Å
399	I	96.3	Very high	89.6	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159	174.2	-167.5	49.5	0	0	0	112.5	L170 V364 G365 G366 V367 S401 A422 I425 V426 L510 V511	L170-I399 HydrophobicContact CD1-CD1 3.67Å; L170-I399 HydrophobicContact CD1-CG1 4.29Å; L170-I399 HydrophobicContact CD2-CD1 3.8Å; L170-I399 HydrophobicContact CG-CD1 3.93Å; V364-I399 HydrophobicContact CG1-CG2 3.85Å; G365-I399 PolarHBondContact O-N 3.34Å; G366-I399 CarbonylContact C-O 3.56Å; G366-I399 WeakPolarHBondContact CA-O 2.83Å; V367-I399 PolarHBondContact N-O 3.14Å; I399-S401 PolarHBondContact O-N 3.24Å; I399-A422 HydrophobicContact CG2-CB 3.61Å; I399-A422 WeakPolarHBondContact CG2-O 3.04Å; I399-I425 HydrophobicContact CG1-CB 4.48Å; I399-I425 HydrophobicContact CG1-CG2 3.61Å; I399-I425 HydrophobicContact CG2-CB 4.38Å; I399-I425 HydrophobicContact CG2-CG2 4.35Å; I399-V426 HydrophobicContact CB-CG2 4.2Å; I399-V426 HydrophobicContact CG2-CG2 3.77Å; I399-L510 HydrophobicContact CD1-CD1 3.93Å; I399-V511 HydrophobicContact CB-CG2 4.41Å; I399-V511 HydrophobicContact CD1-CB 4.19Å
400	F	93	Very high	90.3	Very high	6 Å²	6	15 Å²	15	3%	0.026	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	125.6	177.5	-63.4	-74.5	0	0	0	111.6	L160 P166 L169 V367 D368 I425 V486 L510	L160-F400 HydrophobicContact CD1-CB 4.04Å; L160-F400 HydrophobicContact CD2-CB 4.42Å; L160-F400 HydrophobicContact CD2-CD1 3.98Å; L160-F400 HydrophobicContact CD2-CG 4.37Å; P166-F400 HydrophobicContact CG-CB 4.21Å; L169-F400 HydrophobicContact CB-CD2 4.04Å; L169-F400 HydrophobicContact CB-CE2 3.78Å; L169-F400 HydrophobicContact CB-CZ 4.5Å; L169-F400 HydrophobicContact CD1-CD1 3.98Å; L169-F400 HydrophobicContact CD1-CD2 3.69Å; L169-F400 HydrophobicContact CD1-CE1 3.98Å; L169-F400 HydrophobicContact CD1-CE2 3.69Å; L169-F400 HydrophobicContact CD1-CG 3.85Å; L169-F400 HydrophobicContact CD1-CZ 3.84Å; L169-F400 HydrophobicContact CG-CE2 4.32Å; V367-F400 HydrophobicContact CG2-CB 4.39Å; V367-F400 HydrophobicContact CG2-CD1 3.57Å; V367-F400 HydrophobicContact CG2-CE1 3.92Å; V367-F400 HydrophobicContact CG2-CG 3.97Å; V367-F400 WeakPolarHBondContact O-CA 3.25Å; D368-F400 WeakPolarHBondContact O-CD1 3.14Å; D368-F400 WeakPolarHBondContact O-CE1 3.38Å; F400-I425 WeakPolarHBondContact O-CD1 3.25Å; F400-V486 HydrophobicContact CE1-CG2 4.16Å; F400-V486 HydrophobicContact CZ-CG2 4.12Å; F400-L510 HydrophobicContact CD2-CD1 4.27Å; F400-L510 HydrophobicContact CE2-CD1 4.06Å; F400-L510 HydrophobicContact CE2-CD2 3.79Å; F400-L510 HydrophobicContact CE2-CG 4.45Å; F400-L510 HydrophobicContact CZ-CD1 4.4Å; F400-L510 HydrophobicContact CZ-CD2 3.78Å
401	S	90.2	Very high	90.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.			trans	-144.2	15.9	-170.1	71.7	0	0	0	0	114.5	G366 V367 F376 I399 S417 G418	G366-S401 WeakPolarHBondContact CA-OG 3.45Å; V367-S401 PolarHBondContact O-N 3.21Å; F376-S401 WeakPolarHBondContact CZ-OG 3.05Å; I399-S401 PolarHBondContact O-N 3.24Å; S401-S417 CarbonylContact O-C 3.13Å; S401-S417 WeakPolarHBondContact O-CA 3.22Å; S401-G418 WeakPolarHBondContact CB-O 3.08Å; S401-G418 PolarHBondContact O-N 3.4Å
402	T	85.7	Confident	90.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-118.7	125	-173.7	59.9	0	0	0	0	110.9	T157 L158 L160 D368 A369 A374 F376 V404	T157-T402 HydrophobicContact CG2-CG2 3.21Å; L158-T402 PolarHBondContact O-OG1 3.11Å; L160-T402 WeakPolarHBondContact CB-O 3.29Å; L160-T402 WeakPolarHBondContact CD1-O 3.48Å; L160-T402 WeakPolarHBondContact CG-O 3.44Å; L160-T402 PolarHBondContact N-O 3.22Å; D368-T402 VanDerWaalsContact CA-OG1 3.31Å; D368-T402 WeakPolarHBondContact CA-OG1 3.22Å; D368-T402 HydrophobicContact CB-CG2 3.98Å; A369-T402 PolarHBondContact N-OG1 3.16Å; A374-T402 HydrophobicContact CB-CG2 3.8Å; F376-T402 HydrophobicContact CE1-CG2 3.84Å; F376-T402 HydrophobicContact CZ-CG2 3.93Å; T402-V404 VanDerWaalsContact C-N 3.27Å; T402-V404 PolarHBondContact O-N 2.89Å
403	G	83.5	Confident	90.3	Very high	5 Å²	5	16.9 Å²	16.9	5%	0.052	9%	0.091	C	C	.	.	S	Bend	trans	60.8	37.7	-179.4	0	0	0	0	0	112.7	Q165 L416 S417	Q165-G403 PolarHBondContact NE2-O 2.87Å; G403-L416 PolarHBondContact N-O 3.03Å; G403-S417 PolarHBondContact N-OG 3.39Å
404	V	86.5	Confident	89.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.2	179.1	-179.7	0	0	0	0	108.6	L160 P166 Y238 L242 T402 V415 L416 V421 I425	L160-V404 HydrophobicContact CD1-CG2 3.71Å; P166-V404 HydrophobicContact CG-CG1 3.97Å; P166-V404 HydrophobicContact CG-CG2 3.79Å; Y238-V404 PolarHBondContact OH-O 3.44Å; L242-V404 HydrophobicContact CD2-CG1 3.52Å; T402-V404 VanDerWaalsContact C-N 3.27Å; T402-V404 PolarHBondContact O-N 2.89Å; V404-V415 CarbonylContact O-C 3.5Å; V404-V415 VanDerWaalsContact O-CA 3.29Å; V404-V415 WeakPolarHBondContact O-CA 3.18Å; V404-L416 PolarHBondContact N-O 3.34Å; V404-L416 PolarHBondContact O-N 3.23Å; V404-V421 HydrophobicContact CB-CG1 3.5Å; V404-V421 VanDerWaalsContact CB-CG1 3.5Å; V404-V421 HydrophobicContact CG1-CG1 3.81Å; V404-V421 HydrophobicContact CG2-CG1 3.56Å; V404-I425 HydrophobicContact CG1-CD1 4.46Å; V404-I425 HydrophobicContact CG2-CD1 4.4Å
405	I	88.9	Confident	89.2	Confident	17 Å²	17	22 Å²	22	9%	0.087	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.3	179	-49.8	164.3	0	0	0	108.3	P162 Q165 P268 C413 R414 V415	P162-I405 HydrophobicContact CB-CD1 3.73Å; P162-I405 HydrophobicContact CG-CD1 4.3Å; Q165-I405 HydrophobicContact CG-CD1 4.24Å; P268-I405 VanDerWaalsContact CD-CG2 3.46Å; P268-I405 HydrophobicContact CG-CB 3.75Å; P268-I405 HydrophobicContact CG-CG2 3.97Å; P268-I405 WeakPolarHBondContact CG-O 3.4Å; I405-C413 HydrophobicContact CG2-CB 3.52Å; I405-R414 WeakPolarHBondContact CA-O 3.4Å; I405-V415 HydrophobicContact CG1-CG2 3.86Å
406	S	89.7	Confident	88.5	Confident	6 Å²	6	23.6 Å²	23.6	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	176.7	171.3	-168.6	0	0	0	0	111.5	Y238 G241 L242 C413 R414	Y238-S406 VanDerWaalsContact CD2-CB 3.49Å; Y238-S406 VanDerWaalsContact CE2-CB 3.42Å; Y238-S406 WeakPolarHBondContact O-CB 3.26Å; Y238-S406 PolarHBondContact O-OG 2.86Å; G241-S406 VanDerWaalsContact C-OG 3.29Å; G241-S406 WeakPolarHBondContact CA-OG 3.3Å; L242-S406 PolarHBondContact N-OG 3.15Å; L242-S406 VanDerWaalsContact N-OG 3.15Å; S406-C413 VanDerWaalsContact C-SG 3.5Å; S406-C413 CarbonylContact O-C 3.5Å; S406-C413 WeakPolarHBondContact O-CA 3.5Å; S406-C413 VanDerWaalsContact O-CB 3.29Å; S406-C413 WeakPolarHBondContact O-CB 3.06Å; S406-C413 PolarHBondContact O-SG 3.47Å; S406-R414 PolarHBondContact N-O 3.38Å; S406-R414 PolarHBondContact O-N 3.49Å
407	S	90.9	Very high	87.8	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.014	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	138.2	-177.7	-61	0	0	0	0	113.5	H201 Y238	H201-S407 WeakPolarHBondContact ND1-CB 3.44Å; H201-S407 PolarHBondContact ND1-OG 2.74Å; Y238-S407 WeakPolarHBondContact CA-O 3.43Å; Y238-S407 WeakPolarHBondContact CB-O 3.39Å
408	N	88	Confident	87.1	Confident	39 Å²	39	25.6 Å²	25.6	21%	0.209	14%	0.141	C	C	.	.			trans	-116.2	163.5	169.1	-169.9	30.4	0	0	0	110.5	H199 D410 G411 K412 R414	H199-N408 PolarHBondContact NE2-O 3.42Å; N408-D410 VanDerWaalsContact C-N 3.29Å; N408-D410 WeakPolarHBondContact CB-OD1 3.35Å; N408-D410 PolarHBondContact ND2-OD1 3.43Å; N408-D410 PolarHBondContact O-N 2.94Å; N408-G411 PolarHBondContact O-N 2.97Å; N408-K412 WeakPolarHBondContact CB-O 2.96Å; N408-K412 PolarHBondContact N-O 2.78Å; N408-R414 HydrophobicContact CB-CB 4.05Å; N408-R414 HydrophobicContact CB-CG 4.11Å; N408-R414 WeakPolarHBondContact OD1-CD 3.42Å
409	L	87.6	Confident	86.7	Confident	56 Å²	56	25.7 Å²	25.7	29%	0.293	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-34	-176	-67.2	176	0	0	0	114.3	A195 D231 T237 G411	A195-L409 HydrophobicContact CB-CD2 4.25Å; D231-L409 HydrophobicContact CB-CD2 3.9Å; D231-L409 VanDerWaalsContact O-CD2 3.22Å; D231-L409 WeakPolarHBondContact O-CD2 3.29Å; T237-L409 HydrophobicContact CG2-CD2 4.37Å; T237-L409 WeakPolarHBondContact OG1-CD2 3.25Å; L409-G411 PolarHBondContact O-N 2.94Å
410	D	84.3	Confident	86.3	Confident	93 Å²	93	26 Å²	26	50%	0.497	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	6.9	-178.6	66.7	-17.4	0	0	0	113.5	N408 K412	N408-D410 VanDerWaalsContact C-N 3.29Å; N408-D410 WeakPolarHBondContact CB-OD1 3.35Å; N408-D410 PolarHBondContact ND2-OD1 3.43Å; N408-D410 PolarHBondContact O-N 2.94Å; D410-K412 PolarHBondContact O-N 3.49Å; D410-K412 VanDerWaalsContact OD1-CB 3.28Å; D410-K412 WeakPolarHBondContact OD1-CB 3.14Å; D410-K412 PolarHBondContact OD1-N 3.03Å; D410-K412 VanDerWaalsContact OD2-CD 3.26Å; D410-K412 WeakPolarHBondContact OD2-CD 3.49Å; D410-K412 WeakPolarHBondContact OD2-CG 3.21Å
411	G	82.3	Confident	86.2	Confident	8 Å²	8	25.7 Å²	25.7	8%	0.082	14%	0.142	C	C	.	.	S	Bend	trans	74	-1.1	-171.3	0	0	0	0	0	113.4	H199 K200 H201 N408 L409	H199-G411 WeakPolarHBondContact NE2-CA 3.24Å; K200-G411 WeakPolarHBondContact CE-O 3.5Å; K200-G411 PolarHBondContact NZ-O 2.77Å; H201-G411 PolarHBondContact CE1-O 3.19Å; H201-G411 VanDerWaalsContact CE1-O 3.32Å; H201-G411 PolarHBondContact NE2-O 3.21Å; N408-G411 PolarHBondContact O-N 2.97Å; L409-G411 PolarHBondContact O-N 2.94Å
412	K	84.9	Confident	86.4	Confident	89 Å²	89	25.7 Å²	25.7	39%	0.387	14%	0.142	S	C	.	.	S	Bend	trans	-82.3	-165.7	167.7	-58.1	-175.1	-170.2	172.2	0	109.3	H201 C267 N408 D410	H201-K412 PolarHBondContact CE1-O 3.43Å; C267-K412 VanDerWaalsContact SG-C 3.52Å; N408-K412 WeakPolarHBondContact CB-O 2.96Å; N408-K412 PolarHBondContact N-O 2.78Å; D410-K412 PolarHBondContact O-N 3.49Å; D410-K412 VanDerWaalsContact OD1-CB 3.28Å; D410-K412 WeakPolarHBondContact OD1-CB 3.14Å; D410-K412 PolarHBondContact OD1-N 3.03Å; D410-K412 VanDerWaalsContact OD2-CD 3.26Å; D410-K412 WeakPolarHBondContact OD2-CD 3.49Å; D410-K412 WeakPolarHBondContact OD2-CG 3.21Å
413	C	85.6	Confident	86.9	Confident	24 Å²	24	25.7 Å²	25.7	16%	0.162	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.8	170.3	-82.7	0	0	0	0	111.3	C267 I405 S406	C267-C413 WeakPolarHBondContact CA-SG 3.34Å; C267-C413 HydrophobicContact CB-CB 4.08Å; C267-C413 WeakPolarHBondContact CB-SG 3.39Å; C267-C413 WeakPolarHBondContact SG-CB 3.37Å; C267-C413 PolarHBondContact SG-N 3.3Å; C267-C413 VanDerWaalsContact SG-N 3.39Å; C267-C413 CovalentContact SG-SG 2Å; C267-C413 PolarHBondContact SG-SG 3.01Å; I405-C413 HydrophobicContact CG2-CB 3.52Å; S406-C413 VanDerWaalsContact C-SG 3.5Å; S406-C413 CarbonylContact O-C 3.5Å; S406-C413 WeakPolarHBondContact O-CA 3.5Å; S406-C413 VanDerWaalsContact O-CB 3.29Å; S406-C413 WeakPolarHBondContact O-CB 3.06Å; S406-C413 PolarHBondContact O-SG 3.47Å
414	R	82.1	Confident	87.5	Confident	34 Å²	34	25.5 Å²	25.5	13%	0.128	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158.8	173	68.7	-177.2	-153.6	174.1	4.1	109.4	G234 Y238 I405 S406 N408	G234-R414 VanDerWaalsContact C-CZ 3.49Å; G234-R414 VanDerWaalsContact C-NH1 3.32Å; G234-R414 PolarHBondContact O-NH1 2.86Å; G234-R414 PolarHBondContact O-NH2 3.11Å; G234-R414 VanDerWaalsContact O-NH2 3.16Å; Y238-R414 HydrophobicContact CD2-CG 3.41Å; Y238-R414 VanDerWaalsContact CD2-CG 3.41Å; Y238-R414 VanDerWaalsContact CD2-NE 3.34Å; Y238-R414 HydrophobicContact CE2-CG 3.98Å; Y238-R414 WeakPolarHBondContact CE2-O 3.04Å; Y238-R414 HydrophobicContact CG-CG 4.4Å; I405-R414 WeakPolarHBondContact CA-O 3.4Å; S406-R414 PolarHBondContact N-O 3.38Å; S406-R414 PolarHBondContact O-N 3.49Å; N408-R414 HydrophobicContact CB-CB 4.05Å; N408-R414 HydrophobicContact CB-CG 4.11Å; N408-R414 WeakPolarHBondContact OD1-CD 3.42Å
415	V	83.5	Confident	88.1	Confident	78 Å²	78	25.5 Å²	25.5	47%	0.473	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.2	-178.8	-174.9	0	0	0	0	108.9	V404 I405	V404-V415 CarbonylContact O-C 3.5Å; V404-V415 VanDerWaalsContact O-CA 3.29Å; V404-V415 WeakPolarHBondContact O-CA 3.18Å; I405-V415 HydrophobicContact CG1-CG2 3.86Å
416	L	82.7	Confident	88.5	Confident	34 Å²	34	24.7 Å²	24.7	18%	0.178	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.3	174.3	-61.8	-178	0	0	0	112.1	Y238 G403 V404 V421	Y238-L416 HydrophobicContact CD1-CD1 3.77Å; Y238-L416 HydrophobicContact CD2-CD1 4.02Å; Y238-L416 HydrophobicContact CD2-CG 4.18Å; Y238-L416 HydrophobicContact CE1-CB 4.04Å; Y238-L416 HydrophobicContact CE1-CD1 3.85Å; Y238-L416 HydrophobicContact CE1-CG 4.29Å; Y238-L416 HydrophobicContact CE2-CB 3.97Å; Y238-L416 HydrophobicContact CE2-CD1 4.05Å; Y238-L416 HydrophobicContact CE2-CG 3.84Å; Y238-L416 HydrophobicContact CG-CD1 3.87Å; G403-L416 PolarHBondContact N-O 3.03Å; V404-L416 PolarHBondContact N-O 3.34Å; V404-L416 PolarHBondContact O-N 3.23Å; L416-V421 HydrophobicContact CB-CG2 4.03Å
417	S	82.9	Confident	89	Confident	46 Å²	46	24.4 Å²	24.4	32%	0.322	13%	0.134	S	C	.	.			trans	-128.4	141.2	168	-53	0	0	0	0	109.7	S401 G403	S401-S417 CarbonylContact O-C 3.13Å; S401-S417 WeakPolarHBondContact O-CA 3.22Å; G403-S417 PolarHBondContact N-OG 3.39Å
418	G	84.1	Confident	89.3	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.01	13%	0.133	C	C	.	.	S	Bend	trans	154.3	161.9	178.9	0	0	0	0	0	112.7	N344 S401 S420 V421 A422	N344-G418 WeakPolarHBondContact OD1-CA 3.45Å; S401-G418 WeakPolarHBondContact CB-O 3.08Å; S401-G418 PolarHBondContact O-N 3.4Å; G418-S420 PolarHBondContact O-N 3.31Å; G418-V421 WeakPolarHBondContact O-CA 3.37Å; G418-V421 WeakPolarHBondContact O-CB 3.16Å; G418-V421 WeakPolarHBondContact O-CG2 3.4Å; G418-V421 PolarHBondContact O-N 3.13Å; G418-A422 PolarHBondContact O-N 2.83Å
419	T	87.6	Confident	89.8	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-70.5	-18.3	173.1	57.1	0	0	0	0	112.1	A341 I342 G343 N344 F376 V421 A422 S423	A341-T419 VanDerWaalsContact CB-C 3.47Å; A341-T419 WeakPolarHBondContact CB-O 2.73Å; I342-T419 HydrophobicContact CG2-CG2 3.78Å; G343-T419 PolarHBondContact N-OG1 2.96Å; G343-T419 WeakPolarHBondContact O-CB 3.47Å; G343-T419 WeakPolarHBondContact O-CG2 2.96Å; G343-T419 PolarHBondContact O-OG1 3.33Å; N344-T419 PolarHBondContact OD1-N 2.6Å; N344-T419 PolarHBondContact OD1-OG1 2.81Å; F376-T419 HydrophobicContact CD2-CG2 4.37Å; F376-T419 HydrophobicContact CE2-CG2 4.12Å; T419-V421 PolarHBondContact O-N 2.99Å; T419-A422 WeakPolarHBondContact O-CB 3.39Å; T419-A422 PolarHBondContact O-N 3.08Å; T419-A422 VanDerWaalsContact O-N 3.1Å; T419-S423 PolarHBondContact O-N 2.78Å
420	S	87.9	Confident	90.4	Very high	6 Å²	6	19.8 Å²	19.8	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-19.6	163.5	58.1	0	0	0	0	113.6	H235 S313 G418 P424	H235-S420 WeakPolarHBondContact NE2-CB 3.39Å; S313-S420 VanDerWaalsContact O-CB 3.32Å; S313-S420 WeakPolarHBondContact O-CB 3.44Å; S313-S420 PolarHBondContact OG-O 3.18Å; G418-S420 PolarHBondContact O-N 3.31Å; S420-P424 WeakPolarHBondContact O-CD 3.41Å; S420-P424 VanDerWaalsContact O-CG 3.25Å; S420-P424 WeakPolarHBondContact O-CG 3.32Å
421	V	90.8	Very high	91	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-86.8	-37.5	169.9	-175.6	0	0	0	0	110.8	Y238 L242 V404 L416 G418 T419 P424 I425	Y238-V421 HydrophobicContact CE1-CB 4.49Å; Y238-V421 HydrophobicContact CE1-CG1 4.3Å; Y238-V421 HydrophobicContact CE1-CG2 3.88Å; L242-V421 HydrophobicContact CD1-CG1 3.78Å; V404-V421 HydrophobicContact CB-CG1 3.5Å; V404-V421 VanDerWaalsContact CB-CG1 3.5Å; V404-V421 HydrophobicContact CG1-CG1 3.81Å; V404-V421 HydrophobicContact CG2-CG1 3.56Å; L416-V421 HydrophobicContact CB-CG2 4.03Å; G418-V421 WeakPolarHBondContact O-CA 3.37Å; G418-V421 WeakPolarHBondContact O-CB 3.16Å; G418-V421 WeakPolarHBondContact O-CG2 3.4Å; G418-V421 PolarHBondContact O-N 3.13Å; T419-V421 PolarHBondContact O-N 2.99Å; V421-P424 VanDerWaalsContact O-CD 3.29Å; V421-P424 WeakPolarHBondContact O-CD 3.22Å; V421-P424 VanDerWaalsContact O-CG 3.31Å; V421-P424 WeakPolarHBondContact O-CG 3.42Å; V421-I425 HydrophobicContact CG1-CD1 3.99Å; V421-I425 VanDerWaalsContact O-CD1 3.3Å; V421-I425 WeakPolarHBondContact O-CD1 3.14Å; V421-I425 VanDerWaalsContact O-CG1 3.31Å; V421-I425 WeakPolarHBondContact O-CG1 3.21Å; V421-I425 PolarHBondContact O-N 3.49Å
422	A	94.7	Very high	91.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.4	-46.8	-178.9	0	0	0	0	0	112.2	V364 I399 G418 T419 I425 V426	V364-A422 HydrophobicContact CG1-CB 3.75Å; I399-A422 HydrophobicContact CG2-CB 3.61Å; I399-A422 WeakPolarHBondContact CG2-O 3.04Å; G418-A422 PolarHBondContact O-N 2.83Å; T419-A422 WeakPolarHBondContact O-CB 3.39Å; T419-A422 PolarHBondContact O-N 3.08Å; T419-A422 VanDerWaalsContact O-N 3.1Å; A422-I425 PolarHBondContact O-N 2.92Å; A422-V426 PolarHBondContact O-N 3.07Å; A422-V426 VanDerWaalsContact O-N 3.09Å
423	S	96.3	Very high	92.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-53.2	-53.8	179.6	-174.3	0	0	0	0	113.4	N311 V339 T419 I425 V426 T427	N311-S423 PolarHBondContact OD1-OG 2.88Å; V339-S423 PolarHBondContact O-OG 3.2Å; T419-S423 PolarHBondContact O-N 2.78Å; S423-I425 PolarHBondContact O-N 2.75Å; S423-V426 CarbonylContact O-C 3.56Å; S423-V426 WeakPolarHBondContact O-CA 3.38Å; S423-V426 WeakPolarHBondContact O-CB 3.46Å; S423-V426 PolarHBondContact O-N 2.87Å; S423-V426 VanDerWaalsContact O-N 3.1Å; S423-T427 PolarHBondContact O-N 2.93Å; S423-T427 PolarHBondContact O-OG1 2.77Å
424	P	97.3	Very high	93	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-70.4	-28.3	-179	24.6	-34.4	0	0	0	114.1	V239 L242 I243 N311 S313 S420 V421 V426 T427 G428	V239-P424 HydrophobicContact CB-CB 4.44Å; V239-P424 HydrophobicContact CB-CG 4.36Å; V239-P424 HydrophobicContact CG1-CB 3.66Å; V239-P424 HydrophobicContact CG1-CG 3.92Å; V239-P424 HydrophobicContact CG2-CG 4.28Å; L242-P424 HydrophobicContact CB-CB 4.24Å; L242-P424 HydrophobicContact CB-CG 4.42Å; L242-P424 HydrophobicContact CD1-CB 4.43Å; L242-P424 HydrophobicContact CD1-CG 3.72Å; I243-P424 HydrophobicContact CD1-CB 3.91Å; I243-P424 HydrophobicContact CG1-CB 3.77Å; I243-P424 VanDerWaalsContact CG1-O 3.3Å; I243-P424 WeakPolarHBondContact CG1-O 3.17Å; N311-P424 WeakPolarHBondContact OD1-CA 3.3Å; N311-P424 WeakPolarHBondContact OD1-CD 3.36Å; N311-P424 VanDerWaalsContact OD1-N 3.08Å; S313-P424 WeakPolarHBondContact OG-CD 3.12Å; S420-P424 WeakPolarHBondContact O-CD 3.41Å; S420-P424 VanDerWaalsContact O-CG 3.25Å; S420-P424 WeakPolarHBondContact O-CG 3.32Å; V421-P424 VanDerWaalsContact O-CD 3.29Å; V421-P424 WeakPolarHBondContact O-CD 3.22Å; V421-P424 VanDerWaalsContact O-CG 3.31Å; V421-P424 WeakPolarHBondContact O-CG 3.42Å; P424-V426 VanDerWaalsContact C-N 3.3Å; P424-T427 PolarHBondContact O-N 2.89Å; P424-G428 PolarHBondContact O-N 2.82Å
425	I	97.8	Very high	93.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.1	-47.5	170.2	-68.7	163.4	0	0	0	109.3	P166 L170 L242 F272 I399 F400 V404 V421 A422 S423 G428 V429	P166-I425 HydrophobicContact CB-CD1 3.82Å; P166-I425 HydrophobicContact CB-CG1 4.32Å; P166-I425 HydrophobicContact CB-CG2 4.16Å; P166-I425 HydrophobicContact CG-CD1 3.57Å; P166-I425 HydrophobicContact CG-CG1 4.45Å; L170-I425 HydrophobicContact CD1-CG2 4.36Å; L242-I425 HydrophobicContact CB-CG1 4.46Å; L242-I425 HydrophobicContact CD1-CG1 4.27Å; L242-I425 HydrophobicContact CD2-CG1 4.37Å; F272-I425 HydrophobicContact CD2-CG2 4.4Å; F272-I425 HydrophobicContact CE2-CB 4.38Å; F272-I425 HydrophobicContact CE2-CG1 4.37Å; F272-I425 HydrophobicContact CE2-CG2 3.65Å; F272-I425 HydrophobicContact CZ-CG2 3.78Å; I399-I425 HydrophobicContact CG1-CB 4.48Å; I399-I425 HydrophobicContact CG1-CG2 3.61Å; I399-I425 HydrophobicContact CG2-CB 4.38Å; I399-I425 HydrophobicContact CG2-CG2 4.35Å; F400-I425 WeakPolarHBondContact O-CD1 3.25Å; V404-I425 HydrophobicContact CG1-CD1 4.46Å; V404-I425 HydrophobicContact CG2-CD1 4.4Å; V421-I425 HydrophobicContact CG1-CD1 3.99Å; V421-I425 VanDerWaalsContact O-CD1 3.3Å; V421-I425 WeakPolarHBondContact O-CD1 3.14Å; V421-I425 VanDerWaalsContact O-CG1 3.31Å; V421-I425 WeakPolarHBondContact O-CG1 3.21Å; V421-I425 PolarHBondContact O-N 3.49Å; A422-I425 PolarHBondContact O-N 2.92Å; S423-I425 PolarHBondContact O-N 2.75Å; I425-G428 PolarHBondContact O-N 3.02Å; I425-V429 WeakPolarHBondContact O-CG2 3.27Å; I425-V429 PolarHBondContact O-N 3.11Å
426	V	98.6	Very high	94.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-65.9	-39.1	176.3	174.3	0	0	0	0	111.5	V339 L362 V364 I397 I399 A422 S423 P424 G428 V429 V430 L474 V511	V339-V426 HydrophobicContact CG1-CB 4.07Å; V339-V426 HydrophobicContact CG1-CG1 3.89Å; L362-V426 HydrophobicContact CD2-CG1 3.56Å; V364-V426 HydrophobicContact CB-CG2 4.36Å; V364-V426 HydrophobicContact CG1-CB 4.32Å; V364-V426 HydrophobicContact CG1-CG2 3.51Å; V364-V426 HydrophobicContact CG2-CB 3.9Å; V364-V426 HydrophobicContact CG2-CG1 3.92Å; V364-V426 HydrophobicContact CG2-CG2 3.88Å; I397-V426 HydrophobicContact CD1-CG1 3.9Å; I397-V426 HydrophobicContact CD1-CG2 4.11Å; I399-V426 HydrophobicContact CB-CG2 4.2Å; I399-V426 HydrophobicContact CG2-CG2 3.77Å; A422-V426 PolarHBondContact O-N 3.07Å; A422-V426 VanDerWaalsContact O-N 3.09Å; S423-V426 CarbonylContact O-C 3.56Å; S423-V426 WeakPolarHBondContact O-CA 3.38Å; S423-V426 WeakPolarHBondContact O-CB 3.46Å; S423-V426 PolarHBondContact O-N 2.87Å; S423-V426 VanDerWaalsContact O-N 3.1Å; P424-V426 VanDerWaalsContact C-N 3.3Å; V426-G428 VanDerWaalsContact C-N 3.27Å; V426-G428 PolarHBondContact O-N 2.95Å; V426-V429 CarbonylContact O-C 3.36Å; V426-V429 WeakPolarHBondContact O-CB 3.44Å; V426-V429 PolarHBondContact O-N 3.12Å; V426-V429 VanDerWaalsContact O-N 3.16Å; V426-V430 HydrophobicContact CG1-CG2 4.15Å; V426-V430 WeakPolarHBondContact O-CB 3.44Å; V426-V430 VanDerWaalsContact O-CG2 3.29Å; V426-V430 WeakPolarHBondContact O-CG2 3.44Å; V426-V430 PolarHBondContact O-N 3.34Å; V426-L474 HydrophobicContact CG1-CD1 4.34Å; V426-V511 HydrophobicContact CG2-CG2 4.16Å
427	T	98.8	Very high	94.6	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-59.3	-40	172.8	-58.1	0	0	0	0	112	V187 I243 V309 N311 V339 S423 P424 V430 S431	V187-T427 HydrophobicContact CG1-CG2 3.7Å; I243-T427 HydrophobicContact CD1-CG2 3.92Å; I243-T427 HydrophobicContact CG1-CG2 4.38Å; V309-T427 HydrophobicContact CG1-CG2 4.04Å; V309-T427 HydrophobicContact CG2-CG2 3.92Å; N311-T427 HydrophobicContact CB-CG2 3.98Å; N311-T427 WeakPolarHBondContact CB-OG1 3.35Å; N311-T427 PolarHBondContact OD1-OG1 3.28Å; V339-T427 WeakPolarHBondContact CB-OG1 3.06Å; S423-T427 PolarHBondContact O-N 2.93Å; S423-T427 PolarHBondContact O-OG1 2.77Å; P424-T427 PolarHBondContact O-N 2.89Å; T427-V430 PolarHBondContact O-N 2.88Å; T427-S431 WeakPolarHBondContact O-CB 3.23Å; T427-S431 PolarHBondContact O-N 2.7Å; T427-S431 PolarHBondContact O-OG 3.31Å
428	G	98.2	Very high	95	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-61.5	-46.2	173.1	0	0	0	0	0	112.4	P424 I425 V426 S431 L432	P424-G428 PolarHBondContact O-N 2.82Å; I425-G428 PolarHBondContact O-N 3.02Å; V426-G428 VanDerWaalsContact C-N 3.27Å; V426-G428 PolarHBondContact O-N 2.95Å; G428-S431 WeakPolarHBondContact O-CB 3.06Å; G428-S431 PolarHBondContact O-N 3.49Å; G428-L432 PolarHBondContact O-N 3.04Å; G428-L432 VanDerWaalsContact O-N 3.13Å
429	V	98.5	Very high	95.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.3	-49.8	173	166.6	0	0	0	0	111.4	L170 F272 I425 V426 S431 L432 L433 L474 V511 L513	L170-V429 HydrophobicContact CD1-CG2 3.75Å; F272-V429 HydrophobicContact CD1-CG2 3.83Å; F272-V429 HydrophobicContact CE1-CG2 3.84Å; I425-V429 WeakPolarHBondContact O-CG2 3.27Å; I425-V429 PolarHBondContact O-N 3.11Å; V426-V429 CarbonylContact O-C 3.36Å; V426-V429 WeakPolarHBondContact O-CB 3.44Å; V426-V429 PolarHBondContact O-N 3.12Å; V426-V429 VanDerWaalsContact O-N 3.16Å; V429-S431 PolarHBondContact O-N 3.45Å; V429-L432 WeakPolarHBondContact O-CA 3.4Å; V429-L432 WeakPolarHBondContact O-CB 3.45Å; V429-L432 PolarHBondContact O-N 3.37Å; V429-L433 HydrophobicContact CG1-CD1 4.24Å; V429-L433 HydrophobicContact CG1-CG 4.35Å; V429-L433 WeakPolarHBondContact O-CG 3.32Å; V429-L433 PolarHBondContact O-N 2.93Å; V429-L474 HydrophobicContact CG1-CD2 3.94Å; V429-V511 HydrophobicContact CG1-CG1 4.03Å; V429-V511 HydrophobicContact CG2-CG1 4.46Å; V429-L513 HydrophobicContact CG1-CD1 3.89Å; V429-L513 HydrophobicContact CG2-CD1 4.46Å
430	V	98.6	Very high	95.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-53.6	-41.9	175.8	161.2	0	0	0	0	110.7	V309 L337 V339 L362 V426 T427 L432 L433 I434 I470 L474	V309-V430 HydrophobicContact CB-CG1 3.87Å; V309-V430 HydrophobicContact CG1-CG1 4.17Å; V309-V430 HydrophobicContact CG2-CB 4.46Å; V309-V430 HydrophobicContact CG2-CG1 3.69Å; L337-V430 HydrophobicContact CD2-CG1 4Å; L337-V430 HydrophobicContact CD2-CG2 4.02Å; V339-V430 HydrophobicContact CG2-CG2 4.32Å; L362-V430 HydrophobicContact CD2-CG2 4.26Å; V426-V430 HydrophobicContact CG1-CG2 4.15Å; V426-V430 WeakPolarHBondContact O-CB 3.44Å; V426-V430 VanDerWaalsContact O-CG2 3.29Å; V426-V430 WeakPolarHBondContact O-CG2 3.44Å; V426-V430 PolarHBondContact O-N 3.34Å; T427-V430 PolarHBondContact O-N 2.88Å; V430-L432 VanDerWaalsContact C-N 3.32Å; V430-L432 PolarHBondContact O-N 3.18Å; V430-L433 PolarHBondContact O-N 3Å; V430-L433 VanDerWaalsContact O-N 3.16Å; V430-I434 HydrophobicContact CG1-CD1 3.55Å; V430-I434 HydrophobicContact CG1-CG1 4.27Å; V430-I434 VanDerWaalsContact O-CG1 3.3Å; V430-I434 WeakPolarHBondContact O-CG1 3.42Å; V430-I434 PolarHBondContact O-N 3.28Å; V430-I470 HydrophobicContact CB-CG2 4.41Å; V430-I470 HydrophobicContact CG1-CG2 4.11Å; V430-I470 HydrophobicContact CG2-CG2 3.95Å; V430-L474 HydrophobicContact CG2-CD1 3.75Å
431	S	98.5	Very high	95	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-65.1	-36.8	178.9	-57.9	0	0	0	0	112.2	V185 V187 A273 T427 G428 V429 N435	V185-S431 WeakPolarHBondContact CG2-O 3.47Å; V187-S431 VanDerWaalsContact CG2-OG 3.22Å; V187-S431 WeakPolarHBondContact CG2-OG 3.47Å; A273-S431 VanDerWaalsContact CB-CB 3.49Å; T427-S431 WeakPolarHBondContact O-CB 3.23Å; T427-S431 PolarHBondContact O-N 2.7Å; T427-S431 PolarHBondContact O-OG 3.31Å; G428-S431 WeakPolarHBondContact O-CB 3.06Å; G428-S431 PolarHBondContact O-N 3.49Å; V429-S431 PolarHBondContact O-N 3.45Å; S431-N435 VanDerWaalsContact O-CB 3.3Å; S431-N435 WeakPolarHBondContact O-CB 3.37Å; S431-N435 PolarHBondContact O-N 2.94Å
432	L	97.9	Very high	94.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.8	-41.8	171.2	-65.7	175.7	0	0	0	112.1	A175 L180 F272 A273 G428 V429 V430 N435 A436 L513	A175-L432 HydrophobicContact CB-CD1 3.96Å; A175-L432 HydrophobicContact CB-CD2 4.41Å; L180-L432 HydrophobicContact CB-CD2 4.37Å; L180-L432 WeakPolarHBondContact O-CD2 3.29Å; F272-L432 HydrophobicContact CB-CD1 4.29Å; F272-L432 HydrophobicContact CD1-CD1 4.24Å; F272-L432 WeakPolarHBondContact O-CD1 3.46Å; F272-L432 WeakPolarHBondContact O-CD2 3.43Å; A273-L432 HydrophobicContact CB-CD2 4.49Å; G428-L432 PolarHBondContact O-N 3.04Å; G428-L432 VanDerWaalsContact O-N 3.13Å; V429-L432 WeakPolarHBondContact O-CA 3.4Å; V429-L432 WeakPolarHBondContact O-CB 3.45Å; V429-L432 PolarHBondContact O-N 3.37Å; V430-L432 VanDerWaalsContact C-N 3.32Å; V430-L432 PolarHBondContact O-N 3.18Å; L432-N435 PolarHBondContact O-N 3.11Å; L432-A436 WeakPolarHBondContact O-CB 2.92Å; L432-A436 PolarHBondContact O-N 3.38Å; L432-L513 HydrophobicContact CB-CD1 4.42Å; L432-L513 HydrophobicContact CD1-CD1 4.17Å; L432-L513 HydrophobicContact CD1-CD2 4.08Å
433	L	97.8	Very high	93.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.9	-46.2	178.4	-62.3	-178.7	0	0	0	112.1	V429 V430 N435 A436 A437 I470 L474 L513 A516 L517 V520	V429-L433 HydrophobicContact CG1-CD1 4.24Å; V429-L433 HydrophobicContact CG1-CG 4.35Å; V429-L433 WeakPolarHBondContact O-CG 3.32Å; V429-L433 PolarHBondContact O-N 2.93Å; V430-L433 PolarHBondContact O-N 3Å; V430-L433 VanDerWaalsContact O-N 3.16Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-N435 PolarHBondContact O-N 2.83Å; L433-A436 WeakPolarHBondContact O-CB 3.42Å; L433-A436 PolarHBondContact O-N 2.87Å; L433-A437 PolarHBondContact O-N 3.03Å; L433-I470 HydrophobicContact CB-CD1 4.37Å; L433-I470 HydrophobicContact CD1-CG2 4.14Å; L433-L474 HydrophobicContact CD1-CD1 4.42Å; L433-L474 HydrophobicContact CD1-CD2 3.66Å; L433-L474 HydrophobicContact CD1-CG 3.81Å; L433-L513 HydrophobicContact CD2-CD1 4.44Å; L433-A516 HydrophobicContact CD1-CB 3.96Å; L433-A516 VanDerWaalsContact CD2-C 3.5Å; L433-A516 HydrophobicContact CD2-CB 3.63Å; L433-A516 HydrophobicContact CG-CB 4.43Å; L433-L517 HydrophobicContact CD2-CB 4.42Å; L433-L517 HydrophobicContact CD2-CD2 3.83Å; L433-L517 HydrophobicContact CD2-CG 3.86Å; L433-V520 HydrophobicContact CB-CG1 4.19Å; L433-V520 HydrophobicContact CB-CG2 4.48Å; L433-V520 HydrophobicContact CD2-CG1 4.11Å
434	I	97.7	Very high	92.3	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.015	7%	0.066	C	C	.	.	H	α-helix	trans	-61.5	-45.6	176	-67.2	166.5	0	0	0	109.6	V185 H308 V309 V430 A436 A437 L438 V465 I470	V185-I434 HydrophobicContact CB-CG2 4.39Å; V185-I434 HydrophobicContact CG1-CB 4.13Å; V185-I434 HydrophobicContact CG1-CD1 4.13Å; V185-I434 HydrophobicContact CG1-CG2 3.92Å; V185-I434 HydrophobicContact CG2-CB 3.96Å; V185-I434 HydrophobicContact CG2-CG2 3.63Å; H308-I434 HydrophobicContact CB-CD1 3.88Å; H308-I434 HydrophobicContact CB-CG2 4.44Å; V309-I434 HydrophobicContact CB-CD1 4.42Å; V309-I434 HydrophobicContact CG1-CD1 4.5Å; V430-I434 HydrophobicContact CG1-CD1 3.55Å; V430-I434 HydrophobicContact CG1-CG1 4.27Å; V430-I434 VanDerWaalsContact O-CG1 3.3Å; V430-I434 WeakPolarHBondContact O-CG1 3.42Å; V430-I434 PolarHBondContact O-N 3.28Å; I434-A436 VanDerWaalsContact C-N 3.31Å; I434-A436 PolarHBondContact O-N 2.98Å; I434-A437 PolarHBondContact O-N 3.43Å; I434-L438 HydrophobicContact CG2-CD1 3.8Å; I434-L438 HydrophobicContact CG2-CG 4.22Å; I434-L438 WeakPolarHBondContact O-CB 2.99Å; I434-L438 VanDerWaalsContact O-CG 3.26Å; I434-L438 WeakPolarHBondContact O-CG 3.49Å; I434-L438 PolarHBondContact O-N 2.56Å; I434-V465 HydrophobicContact CG1-CG1 4.3Å; I434-V465 HydrophobicContact CG2-CG1 4.03Å; I434-I470 HydrophobicContact CG1-CD1 3.87Å; I434-I470 HydrophobicContact CG1-CG1 3.97Å
435	N	96.4	Very high	91	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-42.1	176.8	-177.3	-161.1	0	0	0	111.6	L180 C181 G182 N183 V185 S431 L432 L433 L438 N439	L180-N435 WeakPolarHBondContact CA-OD1 3.46Å; C181-N435 PolarHBondContact N-OD1 3.19Å; C181-N435 VanDerWaalsContact N-OD1 3.12Å; G182-N435 PolarHBondContact N-OD1 2.66Å; N183-N435 PolarHBondContact N-OD1 2.65Å; N183-N435 PolarHBondContact O-ND2 3.31Å; V185-N435 HydrophobicContact CG2-CB 3.86Å; S431-N435 VanDerWaalsContact O-CB 3.3Å; S431-N435 WeakPolarHBondContact O-CB 3.37Å; S431-N435 PolarHBondContact O-N 2.94Å; L432-N435 PolarHBondContact O-N 3.11Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-N435 PolarHBondContact O-N 2.83Å; N435-L438 PolarHBondContact O-N 3Å; N435-N439 PolarHBondContact ND2-ND2 3.44Å; N435-N439 PolarHBondContact ND2-OD1 3.34Å; N435-N439 VanDerWaalsContact ND2-OD1 3.17Å; N435-N439 VanDerWaalsContact O-CB 3.29Å; N435-N439 WeakPolarHBondContact O-CB 3.46Å; N435-N439 VanDerWaalsContact O-CG 3.26Å; N435-N439 PolarHBondContact O-N 3.19Å
436	A	93.9	Very high	89.3	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.3	-44.3	178.4	0	0	0	0	0	112.7	L180 L432 L433 I434 H440 L517 V520 Q521	L180-A436 HydrophobicContact CD1-CB 3.76Å; L180-A436 HydrophobicContact CD2-CB 3.95Å; L180-A436 HydrophobicContact CG-CB 4.49Å; L432-A436 WeakPolarHBondContact O-CB 2.92Å; L432-A436 PolarHBondContact O-N 3.38Å; L433-A436 WeakPolarHBondContact O-CB 3.42Å; L433-A436 PolarHBondContact O-N 2.87Å; I434-A436 VanDerWaalsContact C-N 3.31Å; I434-A436 PolarHBondContact O-N 2.98Å; A436-H440 WeakPolarHBondContact O-CB 3.13Å; A436-H440 PolarHBondContact O-N 3.21Å; A436-L517 HydrophobicContact CB-CD2 3.55Å; A436-V520 HydrophobicContact CB-CG1 4.26Å; A436-Q521 HydrophobicContact CB-CG 3.88Å; A436-Q521 PolarHBondContact O-NE2 3.41Å
437	A	92.4	Very high	87.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-41.9	177.4	0	0	0	0	0	112.1	L433 I434 H440 N441 V463 V465 V520	L433-A437 PolarHBondContact O-N 3.03Å; I434-A437 PolarHBondContact O-N 3.43Å; A437-H440 WeakPolarHBondContact O-CB 3.03Å; A437-H440 PolarHBondContact O-N 3.4Å; A437-N441 PolarHBondContact O-N 3.22Å; A437-V463 HydrophobicContact CB-CG1 4.33Å; A437-V465 HydrophobicContact CB-CG2 3.51Å; A437-V520 HydrophobicContact CB-CG2 4.14Å
438	L	91.5	Very high	85.1	Confident	39 Å²	39	30.4 Å²	30.4	20%	0.204	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-43.8	175.4	-70.2	175.9	0	0	0	112.2	V185 I434 N435 H440 N441 A442 V465 F1092	V185-L438 HydrophobicContact CG2-CD1 4.47Å; I434-L438 HydrophobicContact CG2-CD1 3.8Å; I434-L438 HydrophobicContact CG2-CG 4.22Å; I434-L438 WeakPolarHBondContact O-CB 2.99Å; I434-L438 VanDerWaalsContact O-CG 3.26Å; I434-L438 WeakPolarHBondContact O-CG 3.49Å; I434-L438 PolarHBondContact O-N 2.56Å; N435-L438 PolarHBondContact O-N 3Å; L438-H440 VanDerWaalsContact C-N 3.33Å; L438-H440 PolarHBondContact O-N 3.21Å; L438-N441 PolarHBondContact O-N 2.93Å; L438-A442 WeakPolarHBondContact O-CB 3.31Å; L438-A442 PolarHBondContact O-N 3.39Å; L438-V465 HydrophobicContact CD2-CG2 4.41Å; L438-F1092 HydrophobicContact CD1-CE1 4.27Å
439	N	88.2	Confident	82.6	Confident	57 Å²	57	38.9 Å²	38.9	31%	0.305	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-40.6	176.4	-78.3	-1.1	0	0	0	111.5	L180 N435 A442 N443	L180-N439 WeakPolarHBondContact CD2-ND2 3.4Å; N435-N439 PolarHBondContact ND2-ND2 3.44Å; N435-N439 PolarHBondContact ND2-OD1 3.34Å; N435-N439 VanDerWaalsContact ND2-OD1 3.17Å; N435-N439 VanDerWaalsContact O-CB 3.29Å; N435-N439 WeakPolarHBondContact O-CB 3.46Å; N435-N439 VanDerWaalsContact O-CG 3.26Å; N435-N439 PolarHBondContact O-N 3.19Å; N439-A442 PolarHBondContact O-N 3.45Å; N439-N443 WeakPolarHBondContact O-CB 3.49Å; N439-N443 VanDerWaalsContact O-CG 3.27Å; N439-N443 PolarHBondContact O-N 2.8Å; N439-N443 PolarHBondContact O-ND2 3.14Å
440	H	85.1	Confident	80.1	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-50.9	174.4	-178.4	-90.2	0	0	0	110.9	A436 A437 L438 A442 N443 L444 P461 Y1066	A436-H440 WeakPolarHBondContact O-CB 3.13Å; A436-H440 PolarHBondContact O-N 3.21Å; A437-H440 WeakPolarHBondContact O-CB 3.03Å; A437-H440 PolarHBondContact O-N 3.4Å; L438-H440 VanDerWaalsContact C-N 3.33Å; L438-H440 PolarHBondContact O-N 3.21Å; H440-A442 PolarHBondContact O-N 2.94Å; H440-N443 PolarHBondContact O-N 3.22Å; H440-L444 WeakPolarHBondContact O-CG 3.14Å; H440-L444 PolarHBondContact O-N 3.19Å; H440-P461 PolarHBondContact CE1-O 2.88Å; H440-Y1066 AromaticContact CD2-CD2 3.71Å; H440-Y1066 AromaticContact CD2-CE2 3.88Å; H440-Y1066 AromaticContact CD2-CG 3.94Å
441	N	85.1	Confident	77.6	Confident	12 Å²	12	45.3 Å²	45.3	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-38.6	178.2	-69.1	-15.2	0	0	0	113.1	A437 L438 L444 I445 F462 V463	A437-N441 PolarHBondContact O-N 3.22Å; L438-N441 PolarHBondContact O-N 2.93Å; N441-L444 WeakPolarHBondContact O-CB 3.38Å; N441-L444 PolarHBondContact O-N 3.36Å; N441-I445 WeakPolarHBondContact O-CG1 3.5Å; N441-I445 PolarHBondContact O-N 3.37Å; N441-F462 HydrophobicContact CB-CD2 4.22Å; N441-F462 HydrophobicContact CB-CE2 3.84Å; N441-V463 PolarHBondContact ND2-O 3.14Å; N441-V463 PolarHBondContact OD1-N 3.44Å; N441-V463 VanDerWaalsContact OD1-N 3.08Å
442	A	82.4	Confident	75.2	Confident	28 Å²	28	51.7 Å²	51.7	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-39.6	178.8	0	0	0	0	0	112.6	L438 N439 H440 L444 I445 N446 L1091	L438-A442 WeakPolarHBondContact O-CB 3.31Å; L438-A442 PolarHBondContact O-N 3.39Å; N439-A442 PolarHBondContact O-N 3.45Å; H440-A442 PolarHBondContact O-N 2.94Å; A442-L444 VanDerWaalsContact C-N 3.31Å; A442-L444 PolarHBondContact O-N 2.75Å; A442-I445 PolarHBondContact O-N 2.76Å; A442-N446 PolarHBondContact O-N 2.74Å; A442-N446 PolarHBondContact O-ND2 2.78Å; A442-L1091 HydrophobicContact CB-CD2 4.13Å
443	N	75	Confident	72.6	Confident	74 Å²	74	61.6 Å²	61.6	40%	0.396	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-38.2	176.9	-73.8	-22.6	0	0	0	111.9	N439 H440 I445 N446 H447	N439-N443 WeakPolarHBondContact O-CB 3.49Å; N439-N443 VanDerWaalsContact O-CG 3.27Å; N439-N443 PolarHBondContact O-N 2.8Å; N439-N443 PolarHBondContact O-ND2 3.14Å; H440-N443 PolarHBondContact O-N 3.22Å; N443-I445 VanDerWaalsContact C-N 3.33Å; N443-I445 PolarHBondContact O-N 2.87Å; N443-N446 PolarHBondContact O-N 2.62Å; N443-H447 PolarHBondContact O-CD2 2.75Å; N443-H447 VanDerWaalsContact O-CD2 3.28Å; N443-H447 PolarHBondContact O-N 2.93Å
444	L	69.1	Low	69.8	Low	28 Å²	28	69.3 Å²	69.3	15%	0.147	36%	0.364	C	S	.	.	H	α-helix	trans	-58	-45	172.9	-73.4	176.2	0	0	0	111.7	H440 N441 A442 Y460 P461	H440-L444 WeakPolarHBondContact O-CG 3.14Å; H440-L444 PolarHBondContact O-N 3.19Å; N441-L444 WeakPolarHBondContact O-CB 3.38Å; N441-L444 PolarHBondContact O-N 3.36Å; A442-L444 VanDerWaalsContact C-N 3.31Å; A442-L444 PolarHBondContact O-N 2.75Å; L444-Y460 HydrophobicContact CB-CE1 4.1Å; L444-Y460 HydrophobicContact CD1-CD1 4.38Å; L444-Y460 HydrophobicContact CD1-CE1 4.34Å; L444-Y460 HydrophobicContact CD2-CE1 3.94Å; L444-Y460 HydrophobicContact CG-CE1 4.35Å; L444-P461 HydrophobicContact CD1-CG 4.12Å; L444-P461 HydrophobicContact CD2-CG 4.12Å
445	I	68.7	Low	67.1	Low	69 Å²	69	76.4 Å²	76.4	35%	0.354	40%	0.399	S	S	.	.	H	α-helix	trans	-69.6	-41	-180	-61.5	163.3	0	0	0	111.8	N441 A442 N443 H447 E448 L1091	N441-I445 WeakPolarHBondContact O-CG1 3.5Å; N441-I445 PolarHBondContact O-N 3.37Å; A442-I445 PolarHBondContact O-N 2.76Å; N443-I445 VanDerWaalsContact C-N 3.33Å; N443-I445 PolarHBondContact O-N 2.87Å; I445-H447 VanDerWaalsContact C-N 3.35Å; I445-H447 PolarHBondContact O-N 2.95Å; I445-E448 PolarHBondContact O-N 2.96Å; I445-E448 VanDerWaalsContact O-N 3.13Å; I445-L1091 HydrophobicContact CB-CD2 4.09Å; I445-L1091 HydrophobicContact CD1-CD2 3.85Å; I445-L1091 HydrophobicContact CD1-CG 4.03Å; I445-L1091 HydrophobicContact CG2-CD1 3.95Å; I445-L1091 HydrophobicContact CG2-CD2 4.1Å; I445-L1091 HydrophobicContact CG2-CG 4.39Å
446	N	62.6	Low	64.9	Low	92 Å²	92	82 Å²	82	49%	0.492	43%	0.428	S	S	.	.	H	α-helix	trans	-71.5	-24	-176.5	-73.4	-27.9	0	0	0	114.2	A442 N443 E448	A442-N446 PolarHBondContact O-N 2.74Å; A442-N446 PolarHBondContact O-ND2 2.78Å; N443-N446 PolarHBondContact O-N 2.62Å; N446-E448 PolarHBondContact O-N 3.09Å
447	H	56.6	Low	62.8	Low	166 Å²	166	86.6 Å²	86.6	77%	0.769	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.5	171.3	-91	-71	0	0	0	112.5	N443 I445	N443-H447 PolarHBondContact O-CD2 2.75Å; N443-H447 VanDerWaalsContact O-CD2 3.28Å; N443-H447 PolarHBondContact O-N 2.93Å; I445-H447 VanDerWaalsContact C-N 3.35Å; I445-H447 PolarHBondContact O-N 2.95Å
448	E	53.5	Low	60.9	Low	63 Å²	63	91.7 Å²	91.7	29%	0.294	48%	0.479	S	S	.	.			trans	-122.4	75.8	-173.8	-63	-170.5	177.4	0	0	112.5	I445 N446 G450 Y460	I445-E448 PolarHBondContact O-N 2.96Å; I445-E448 VanDerWaalsContact O-N 3.13Å; N446-E448 PolarHBondContact O-N 3.09Å; E448-G450 PolarHBondContact O-N 2.72Å; E448-Y460 PolarHBondContact OE1-OH 3.38Å
449	N	45.3	Very low	59.3	Low	178 Å²	178	95.9 Å²	95.9	95%	0.952	50%	0.502	S	S	*	.	S	Bend	trans	-70.5	31	154.9	-91.4	-15.6	0	0	0	112.2
450	G	45.8	Very low	57.9	Low	50 Å²	50	96.5 Å²	96.5	52%	0.515	50%	0.5	S	S	.	.	S	Bend	trans	-153.4	92.8	-174.5	0	0	0	0	0	112.5	E448	E448-G450 PolarHBondContact O-N 2.72Å
451	S	46.6	Very low	57.1	Low	85 Å²	85	96.6 Å²	96.6	59%	0.594	50%	0.502	S	S	*	.			trans	58.9	81.9	159.1	176.9	0	0	0	0	117.7	Y453	S451-Y453 PolarHBondContact O-N 2.53Å; S451-Y453 VanDerWaalsContact O-N 3.1Å
452	L	47.2	Very low	56.6	Low	134 Å²	134	99.1 Å²	99.1	70%	0.702	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.3	167.5	-167.7	67.6	0	0	0	114.5
453	Y	42.8	Very low	56.7	Low	208 Å²	208	97.8 Å²	97.8	82%	0.816	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.5	-166.3	-91.3	-82.1	0	0	0	116.2	S451	S451-Y453 PolarHBondContact O-N 2.53Å; S451-Y453 VanDerWaalsContact O-N 3.1Å
454	H	39.4	Very low	57	Low	163 Å²	163	95.1 Å²	95.1	76%	0.755	49%	0.487	S	S	*	.	S	Bend	trans	-138	53.6	-173	-73.6	-77.6	0	0	0	113.3
455	M	41.9	Very low	58	Low	152 Å²	152	96 Å²	96	75%	0.749	49%	0.494	S	S	*	.	S	Bend	trans	-144.5	152.7	163.5	-75.4	-153.8	-160	0	0	113.5	I457	M455-I457 PolarHBondContact O-N 3.11Å
456	N	49.1	Very low	59.2	Low	118 Å²	118	93.6 Å²	93.6	63%	0.631	48%	0.481	S	S	*	.			trans	-66.3	106.9	-171.4	-147.7	-6.9	0	0	0	111.2	D458 N459	N456-D458 PolarHBondContact O-N 3.37Å; N456-D458 VanDerWaalsContact O-N 3.14Å; N456-N459 PolarHBondContact O-N 3.23Å
457	I	50.4	Low	60.8	Low	97 Å²	97	89.5 Å²	89.5	50%	0.497	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-58.3	-28.8	-172	-67.3	169.4	0	0	0	112.6	M455 N459 Y460 R646	M455-I457 PolarHBondContact O-N 3.11Å; I457-N459 VanDerWaalsContact C-N 3.29Å; I457-N459 PolarHBondContact O-N 3.25Å; I457-Y460 PolarHBondContact O-N 3.35Å; I457-R646 HydrophobicContact CG2-CG 4.33Å
458	D	53.5	Low	62.7	Low	106 Å²	106	81.7 Å²	81.7	57%	0.567	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21.6	-174.6	-65.9	-28.2	0	0	0	114.6	N456	N456-D458 PolarHBondContact O-N 3.37Å; N456-D458 VanDerWaalsContact O-N 3.14Å
459	N	56.9	Low	64.7	Low	127 Å²	127	78.8 Å²	78.8	68%	0.679	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-97.4	-0.7	179.6	-79.3	-13.2	0	0	0	113.7	N456 I457	N456-N459 PolarHBondContact O-N 3.23Å; I457-N459 VanDerWaalsContact C-N 3.29Å; I457-N459 PolarHBondContact O-N 3.25Å
460	Y	58.9	Low	67.2	Low	70 Å²	70	70.4 Å²	70.4	28%	0.275	37%	0.365	S	S	.	.	S	Bend	trans	-93.7	125.3	-175.4	-131.2	-89.3	0	0	0	111.3	L444 E448 I457 F462	L444-Y460 HydrophobicContact CB-CE1 4.1Å; L444-Y460 HydrophobicContact CD1-CD1 4.38Å; L444-Y460 HydrophobicContact CD1-CE1 4.34Å; L444-Y460 HydrophobicContact CD2-CE1 3.94Å; L444-Y460 HydrophobicContact CG-CE1 4.35Å; E448-Y460 PolarHBondContact OE1-OH 3.38Å; I457-Y460 PolarHBondContact O-N 3.35Å; Y460-F462 PolarHBondContact O-N 2.89Å
461	P	67.4	Low	69.7	Low	9 Å²	9	68 Å²	68	6%	0.058	34%	0.341	C	S	.	.			trans	-78.3	46.5	-174	33	-36	0	0	0	112.8	H440 L444 V463 Y1061 L1065	H440-P461 PolarHBondContact CE1-O 2.88Å; L444-P461 HydrophobicContact CD1-CG 4.12Å; L444-P461 HydrophobicContact CD2-CG 4.12Å; P461-V463 PolarHBondContact O-N 3.43Å; P461-Y1061 HydrophobicContact CB-CD1 4.12Å; P461-Y1061 HydrophobicContact CB-CD2 3.85Å; P461-Y1061 HydrophobicContact CB-CE2 4.31Å; P461-Y1061 HydrophobicContact CB-CG 3.76Å; P461-L1065 HydrophobicContact CG-CB 4.46Å; P461-L1065 HydrophobicContact CG-CD1 4.49Å
462	F	75.9	Confident	72.1	Confident	64 Å²	64	64 Å²	64	28%	0.281	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-70.2	119.2	172.2	-171.4	-89	0	0	0	109.6	N441 Y460 L464	N441-F462 HydrophobicContact CB-CD2 4.22Å; N441-F462 HydrophobicContact CB-CE2 3.84Å; Y460-F462 PolarHBondContact O-N 2.89Å; F462-L464 HydrophobicContact CD1-CD2 4.39Å; F462-L464 HydrophobicContact CE1-CD2 4.15Å
463	V	84.4	Confident	74.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-91.8	126.2	-179.8	177.1	0	0	0	0	109.1	A437 N441 P461 V520 Q521	A437-V463 HydrophobicContact CB-CG1 4.33Å; N441-V463 PolarHBondContact ND2-O 3.14Å; N441-V463 PolarHBondContact OD1-N 3.44Å; N441-V463 VanDerWaalsContact OD1-N 3.08Å; P461-V463 PolarHBondContact O-N 3.43Å; V463-V520 WeakPolarHBondContact CG1-O 3.29Å; V463-Q521 WeakPolarHBondContact CG2-O 3.31Å
464	L	81.8	Confident	77	Confident	18 Å²	18	47.8 Å²	47.8	9%	0.094	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-73.7	134.6	171.8	-68	179.2	0	0	0	110.5	F462 S469 P525 I1095	F462-L464 HydrophobicContact CD1-CD2 4.39Å; F462-L464 HydrophobicContact CE1-CD2 4.15Å; L464-S469 PolarHBondContact O-OG 3.02Å; L464-P525 HydrophobicContact CB-CG 4.48Å; L464-P525 HydrophobicContact CD1-CB 3.65Å; L464-P525 HydrophobicContact CD1-CG 3.38Å; L464-P525 HydrophobicContact CG-CB 4.5Å; L464-P525 HydrophobicContact CG-CG 3.76Å; L464-I1095 HydrophobicContact CD2-CD1 3.87Å
465	V	90.1	Very high	79.8	Confident	48 Å²	48	40.9 Å²	40.9	29%	0.291	21%	0.209	S	C	.	.			trans	-112.4	99.3	175.6	-176.3	0	0	0	0	108.4	I434 A437 L438	I434-V465 HydrophobicContact CG1-CG1 4.3Å; I434-V465 HydrophobicContact CG2-CG1 4.03Å; A437-V465 HydrophobicContact CB-CG2 3.51Å; L438-V465 HydrophobicContact CD2-CG2 4.41Å
466	N	93.8	Very high	82.3	Confident	18 Å²	18	35 Å²	35	10%	0.096	18%	0.184	C	C	.	.			trans	-139.8	166.4	175.3	62.8	37.2	0	0	0	110.2	I468 S469 I470 S566 W603	N466-I468 VanDerWaalsContact C-N 3.27Å; N466-I468 PolarHBondContact O-N 3.1Å; N466-I468 WeakPolarHBondContact OD1-CG2 3.27Å; N466-S469 PolarHBondContact N-OG 3.18Å; N466-S469 PolarHBondContact O-N 3.05Å; N466-S469 PolarHBondContact O-OG 3.41Å; N466-S469 WeakPolarHBondContact OD1-CB 3.15Å; N466-S469 PolarHBondContact OD1-N 3.36Å; N466-S469 PolarHBondContact OD1-OG 3.05Å; N466-S469 VanDerWaalsContact OD1-OG 3.13Å; N466-I470 PolarHBondContact O-N 2.69Å; N466-S566 PolarHBondContact ND2-O 3.09Å; N466-W603 HydrophobicContact CB-CH2 3.89Å; N466-W603 HydrophobicContact CB-CZ2 4.35Å; N466-W603 HydrophobicContact CB-CZ3 4.11Å
467	P	96.4	Very high	84.5	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.032	16%	0.156	C	C	.	.	H	α-helix	trans	-54.3	-45.2	-172.6	-30.7	38.5	0	0	0	113.3	G335 I336 L337 I470 K471	G335-P467 WeakPolarHBondContact O-CD 3.48Å; G335-P467 WeakPolarHBondContact O-CG 3.4Å; I336-P467 VanDerWaalsContact C-CG 3.47Å; L337-P467 HydrophobicContact CB-CB 3.88Å; L337-P467 HydrophobicContact CB-CG 4.4Å; L337-P467 HydrophobicContact CD1-CB 3.91Å; L337-P467 HydrophobicContact CG-CB 4.48Å; P467-I470 PolarHBondContact O-N 3.32Å; P467-K471 WeakPolarHBondContact O-CB 3.39Å; P467-K471 PolarHBondContact O-N 3.02Å
468	I	96.5	Very high	86.6	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.015	14%	0.137	C	C	.	.	H	α-helix	trans	-74.3	-31.6	-174.5	-162.8	64.6	0	0	0	112.1	N466 I470 K471 Q472 L564 N565 W603 V604	N466-I468 VanDerWaalsContact C-N 3.27Å; N466-I468 PolarHBondContact O-N 3.1Å; N466-I468 WeakPolarHBondContact OD1-CG2 3.27Å; I468-I470 VanDerWaalsContact C-N 3.33Å; I468-I470 PolarHBondContact O-N 2.88Å; I468-K471 HydrophobicContact CD1-CB 4.42Å; I468-K471 HydrophobicContact CD1-CD 4.29Å; I468-K471 PolarHBondContact O-N 2.91Å; I468-Q472 WeakPolarHBondContact O-CB 3.45Å; I468-Q472 WeakPolarHBondContact O-CG 3.38Å; I468-Q472 PolarHBondContact O-N 3.41Å; I468-L564 HydrophobicContact CD1-CB 3.67Å; I468-L564 HydrophobicContact CD1-CD2 3.5Å; I468-L564 VanDerWaalsContact CD1-CD2 3.5Å; I468-L564 HydrophobicContact CD1-CG 4.06Å; I468-L564 HydrophobicContact CG1-CB 3.81Å; I468-N565 VanDerWaalsContact CG2-O 3.27Å; I468-N565 WeakPolarHBondContact CG2-O 3.28Å; I468-W603 HydrophobicContact CB-CB 3.84Å; I468-W603 HydrophobicContact CB-CG 4.24Å; I468-W603 HydrophobicContact CG1-CB 4.06Å; I468-W603 HydrophobicContact CG2-CB 3.93Å; I468-W603 HydrophobicContact CG2-CD2 4.06Å; I468-W603 HydrophobicContact CG2-CE3 3.78Å; I468-W603 HydrophobicContact CG2-CG 4.15Å; I468-V604 HydrophobicContact CD1-CG2 3.72Å
469	S	95.4	Very high	88.4	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-42.7	173.8	68.6	0	0	0	0	111.4	L464 N466 A473 M523	L464-S469 PolarHBondContact O-OG 3.02Å; N466-S469 PolarHBondContact N-OG 3.18Å; N466-S469 PolarHBondContact O-N 3.05Å; N466-S469 PolarHBondContact O-OG 3.41Å; N466-S469 WeakPolarHBondContact OD1-CB 3.15Å; N466-S469 PolarHBondContact OD1-N 3.36Å; N466-S469 PolarHBondContact OD1-OG 3.05Å; N466-S469 VanDerWaalsContact OD1-OG 3.13Å; S469-A473 WeakPolarHBondContact O-CB 3.37Å; S469-A473 PolarHBondContact O-N 2.86Å; S469-M523 WeakPolarHBondContact O-CE 2.94Å
470	I	97.6	Very high	90.1	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-68.9	-43.2	176.5	-56.4	-57.4	0	0	0	110.4	L337 V430 L433 I434 N466 P467 I468 Q472 A473 L474 V520	L337-I470 HydrophobicContact CD2-CB 4.15Å; L337-I470 HydrophobicContact CD2-CG2 3.99Å; V430-I470 HydrophobicContact CB-CG2 4.41Å; V430-I470 HydrophobicContact CG1-CG2 4.11Å; V430-I470 HydrophobicContact CG2-CG2 3.95Å; L433-I470 HydrophobicContact CB-CD1 4.37Å; L433-I470 HydrophobicContact CD1-CG2 4.14Å; I434-I470 HydrophobicContact CG1-CD1 3.87Å; I434-I470 HydrophobicContact CG1-CG1 3.97Å; N466-I470 PolarHBondContact O-N 2.69Å; P467-I470 PolarHBondContact O-N 3.32Å; I468-I470 VanDerWaalsContact C-N 3.33Å; I468-I470 PolarHBondContact O-N 2.88Å; I470-Q472 PolarHBondContact O-N 3.36Å; I470-A473 PolarHBondContact O-N 3.16Å; I470-L474 HydrophobicContact CG2-CD1 4.24Å; I470-L474 WeakPolarHBondContact O-CG 3.41Å; I470-L474 PolarHBondContact O-N 3.24Å; I470-V520 HydrophobicContact CD1-CG2 3.61Å
471	K	97.3	Very high	91.6	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-45.5	175.8	179.9	161.8	-178.1	172.7	0	111.8	M359 V361 L362 D396 P467 I468 A473 L474 I475	M359-K471 PolarHBondContact O-NZ 2.85Å; V361-K471 PolarHBondContact O-NZ 2.96Å; L362-K471 HydrophobicContact CD1-CD 4.23Å; L362-K471 HydrophobicContact CD1-CG 4.01Å; D396-K471 VanDerWaalsContact CG-CE 3.41Å; D396-K471 WeakPolarHBondContact OD1-CE 3.38Å; D396-K471 IonicContact OD1-NZ 3.07Å; D396-K471 PolarHBondContact OD1-NZ 2.84Å; D396-K471 IonicContact OD2-NZ 3.58Å; D396-K471 PolarHBondContact OD2-NZ 3.3Å; P467-K471 WeakPolarHBondContact O-CB 3.39Å; P467-K471 PolarHBondContact O-N 3.02Å; I468-K471 HydrophobicContact CD1-CB 4.42Å; I468-K471 HydrophobicContact CD1-CD 4.29Å; I468-K471 PolarHBondContact O-N 2.91Å; K471-A473 PolarHBondContact O-N 3.03Å; K471-L474 PolarHBondContact O-N 3.35Å; K471-I475 HydrophobicContact CD-CD1 4.48Å; K471-I475 HydrophobicContact CG-CD1 3.66Å; K471-I475 HydrophobicContact CG-CG1 4.49Å; K471-I475 WeakPolarHBondContact O-CB 3.3Å; K471-I475 VanDerWaalsContact O-CG1 3.26Å; K471-I475 WeakPolarHBondContact O-CG1 3.24Å; K471-I475 PolarHBondContact O-N 2.85Å
472	Q	96.8	Very high	92.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-59.1	-45.8	174.3	-75.1	179.8	-28.1	0	0	111.8	I468 I470 L474 I475 A476 M523 Q526 S528 L564 S566 L1058	I468-Q472 WeakPolarHBondContact O-CB 3.45Å; I468-Q472 WeakPolarHBondContact O-CG 3.38Å; I468-Q472 PolarHBondContact O-N 3.41Å; I470-Q472 PolarHBondContact O-N 3.36Å; Q472-L474 VanDerWaalsContact C-N 3.34Å; Q472-L474 PolarHBondContact O-N 2.86Å; Q472-I475 PolarHBondContact O-N 3.46Å; Q472-A476 VanDerWaalsContact O-CB 3.28Å; Q472-A476 WeakPolarHBondContact O-CB 3.05Å; Q472-A476 PolarHBondContact O-N 3Å; Q472-M523 HydrophobicContact CB-SD 4.3Å; Q472-Q526 PolarHBondContact NE2-O 3.2Å; Q472-S528 VanDerWaalsContact CG-OG 3.3Å; Q472-S528 WeakPolarHBondContact CG-OG 3.25Å; Q472-S528 PolarHBondContact NE2-OG 3.32Å; Q472-L564 HydrophobicContact CG-CB 3.88Å; Q472-L564 HydrophobicContact CG-CD1 4.04Å; Q472-L564 PolarHBondContact NE2-O 2.91Å; Q472-S566 VanDerWaalsContact OE1-CB 3.29Å; Q472-S566 PolarHBondContact OE1-OG 3.3Å; Q472-L1058 HydrophobicContact CB-CD1 4.16Å
473	A	96.4	Very high	92.8	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-41.4	179.2	0	0	0	0	0	112.3	S469 I470 K471 S477 I519 V520 M523	S469-A473 WeakPolarHBondContact O-CB 3.37Å; S469-A473 PolarHBondContact O-N 2.86Å; I470-A473 PolarHBondContact O-N 3.16Å; K471-A473 PolarHBondContact O-N 3.03Å; A473-S477 VanDerWaalsContact O-CB 3.27Å; A473-S477 WeakPolarHBondContact O-CB 3.45Å; A473-S477 PolarHBondContact O-N 3.27Å; A473-S477 VanDerWaalsContact O-N 3.15Å; A473-S477 PolarHBondContact O-OG 3.47Å; A473-I519 HydrophobicContact CB-CB 4.48Å; A473-I519 HydrophobicContact CB-CG2 3.77Å; A473-V520 HydrophobicContact CB-CB 4.25Å; A473-V520 HydrophobicContact CB-CG2 4.45Å; A473-M523 HydrophobicContact CB-SD 4.47Å
474	L	97.5	Very high	92.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.2	-45	175.9	-75.1	170.7	0	0	0	112.3	L362 I397 V426 V429 V430 L433 I470 K471 Q472 S477 A478 V511 A516	L362-L474 HydrophobicContact CD2-CD1 3.6Å; I397-L474 HydrophobicContact CD1-CB 4.39Å; I397-L474 HydrophobicContact CD1-CD1 4.25Å; V426-L474 HydrophobicContact CG1-CD1 4.34Å; V429-L474 HydrophobicContact CG1-CD2 3.94Å; V430-L474 HydrophobicContact CG2-CD1 3.75Å; L433-L474 HydrophobicContact CD1-CD1 4.42Å; L433-L474 HydrophobicContact CD1-CD2 3.66Å; L433-L474 HydrophobicContact CD1-CG 3.81Å; I470-L474 HydrophobicContact CG2-CD1 4.24Å; I470-L474 WeakPolarHBondContact O-CG 3.41Å; I470-L474 PolarHBondContact O-N 3.24Å; K471-L474 PolarHBondContact O-N 3.35Å; Q472-L474 VanDerWaalsContact C-N 3.34Å; Q472-L474 PolarHBondContact O-N 2.86Å; L474-S477 PolarHBondContact O-N 3.33Å; L474-S477 PolarHBondContact O-OG 2.81Å; L474-A478 WeakPolarHBondContact O-CB 2.93Å; L474-A478 PolarHBondContact O-N 2.79Å; L474-A478 VanDerWaalsContact O-N 3.15Å; L474-V511 HydrophobicContact CD2-CG1 4.1Å; L474-A516 HydrophobicContact CD2-CB 4.36Å
475	I	96.9	Very high	91.9	Very high	18 Å²	18	25.3 Å²	25.3	9%	0.092	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-47.7	178.9	-74	168.4	0	0	0	111.2	I397 K471 Q472 S477 A478 A508 M530 L564	I397-I475 HydrophobicContact CG2-CG1 4.43Å; K471-I475 HydrophobicContact CD-CD1 4.48Å; K471-I475 HydrophobicContact CG-CD1 3.66Å; K471-I475 HydrophobicContact CG-CG1 4.49Å; K471-I475 WeakPolarHBondContact O-CB 3.3Å; K471-I475 VanDerWaalsContact O-CG1 3.26Å; K471-I475 WeakPolarHBondContact O-CG1 3.24Å; K471-I475 PolarHBondContact O-N 2.85Å; Q472-I475 PolarHBondContact O-N 3.46Å; I475-S477 VanDerWaalsContact C-N 3.29Å; I475-S477 PolarHBondContact O-N 3.24Å; I475-A478 PolarHBondContact O-N 2.77Å; I475-A508 HydrophobicContact CB-CB 4.49Å; I475-A508 HydrophobicContact CG2-CB 4.06Å; I475-A508 WeakPolarHBondContact O-CB 3.39Å; I475-M530 HydrophobicContact CB-CE 4.01Å; I475-M530 HydrophobicContact CD1-CE 3.66Å; I475-M530 HydrophobicContact CG1-CE 3.52Å; I475-M530 HydrophobicContact CG2-CE 3.37Å; I475-M530 HydrophobicContact CG2-SD 3.52Å; I475-M530 VanDerWaalsContact CG2-SD 3.52Å; I475-L564 HydrophobicContact CD1-CD1 3.58Å
476	A	95.4	Very high	90.6	Very high	28 Å²	28	24.5 Å²	24.5	23%	0.231	13%	0.133	C	C	.	.	H	α-helix	trans	-72.7	-21.3	-176.5	0	0	0	0	0	113.6	Q472 I519 L1058	Q472-A476 VanDerWaalsContact O-CB 3.28Å; Q472-A476 WeakPolarHBondContact O-CB 3.05Å; Q472-A476 PolarHBondContact O-N 3Å; A476-I519 HydrophobicContact CB-CD1 4.26Å; A476-L1058 HydrophobicContact CB-CD1 3.55Å; A476-L1058 HydrophobicContact CB-CD2 4.34Å; A476-L1058 HydrophobicContact CB-CG 3.64Å
477	S	94.5	Very high	88.5	Confident	7 Å²	7	32 Å²	32	5%	0.049	17%	0.165	C	C	.	.	H	α-helix	trans	-93.1	-16.7	178.1	55.9	0	0	0	0	114.1	A473 L474 I475 N512 A516	A473-S477 VanDerWaalsContact O-CB 3.27Å; A473-S477 WeakPolarHBondContact O-CB 3.45Å; A473-S477 PolarHBondContact O-N 3.27Å; A473-S477 VanDerWaalsContact O-N 3.15Å; A473-S477 PolarHBondContact O-OG 3.47Å; L474-S477 PolarHBondContact O-N 3.33Å; L474-S477 PolarHBondContact O-OG 2.81Å; I475-S477 VanDerWaalsContact C-N 3.29Å; I475-S477 PolarHBondContact O-N 3.24Å; S477-N512 WeakPolarHBondContact O-CB 3.19Å; S477-A516 WeakPolarHBondContact OG-CB 3.38Å
478	A	94.8	Very high	86.1	Confident	12 Å²	12	33.4 Å²	33.4	10%	0.099	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-62.5	143.4	-173.7	0	0	0	0	0	112.4	I397 L474 I475 A508 L510	I397-A478 HydrophobicContact CG2-CB 4.25Å; L474-A478 WeakPolarHBondContact O-CB 2.93Å; L474-A478 PolarHBondContact O-N 2.79Å; L474-A478 VanDerWaalsContact O-N 3.15Å; I475-A478 PolarHBondContact O-N 2.77Å; A478-A508 HydrophobicContact CB-CB 3.92Å; A478-L510 CarbonylContact C-O 3.58Å; A478-L510 WeakPolarHBondContact CA-O 3.41Å
479	N	92.7	Very high	83.7	Confident	64 Å²	64	36.5 Å²	36.5	34%	0.342	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-96.5	122.5	178.1	-65	-40.6	0	0	0	109.8	L481 V484 G509 L510 N512	N479-L481 PolarHBondContact O-N 3.33Å; N479-V484 HydrophobicContact CB-CG2 4.04Å; N479-G509 CarbonylContact O-C 3.57Å; N479-G509 WeakPolarHBondContact O-CA 3.29Å; N479-L510 PolarHBondContact N-O 2.79Å; N479-L510 PolarHBondContact O-N 3.13Å; N479-N512 PolarHBondContact ND2-ND2 2.76Å
480	Q	91.8	Very high	81	Confident	23 Å²	23	42.8 Å²	42.8	11%	0.107	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-56.4	137.6	171.3	-67	-179.1	0.4	0	0	110.4	N482 S483 V484 Y533 Y541	Q480-N482 WeakPolarHBondContact CB-OD1 3.32Å; Q480-N482 PolarHBondContact O-N 2.89Å; Q480-N482 VanDerWaalsContact O-N 3.15Å; Q480-N482 PolarHBondContact O-OD1 2.81Å; Q480-S483 WeakPolarHBondContact O-CB 3.47Å; Q480-S483 PolarHBondContact O-N 3.35Å; Q480-S483 PolarHBondContact O-OG 2.74Å; Q480-V484 PolarHBondContact O-N 3Å; Q480-Y533 PolarHBondContact NE2-OH 3.49Å; Q480-Y541 HydrophobicContact CG-CD2 4.26Å; Q480-Y541 HydrophobicContact CG-CE2 3.78Å; Q480-Y541 VanDerWaalsContact NE2-CE1 3.31Å
481	L	90.8	Very high	78.1	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26	-171.2	-60.1	-176.7	0	0	0	113.6	V367 V373 V398 N479 S483 V484 D499 Q506 L510	V367-L481 HydrophobicContact CG1-CD1 4Å; V367-L481 HydrophobicContact CG1-CD2 4.1Å; V373-L481 HydrophobicContact CG2-CD1 3.55Å; V398-L481 HydrophobicContact CG2-CD1 4.31Å; V398-L481 HydrophobicContact CG2-CD2 3.98Å; V398-L481 HydrophobicContact CG2-CG 4.45Å; N479-L481 PolarHBondContact O-N 3.33Å; L481-S483 PolarHBondContact O-N 3.2Å; L481-V484 HydrophobicContact CD2-CG2 4.25Å; L481-V484 PolarHBondContact O-N 3.4Å; L481-D499 HydrophobicContact CB-CB 3.82Å; L481-D499 VanDerWaalsContact CD1-OD2 3.29Å; L481-D499 WeakPolarHBondContact CD1-OD2 3.22Å; L481-Q506 HydrophobicContact CD1-CB 3.7Å; L481-Q506 HydrophobicContact CG-CB 3.99Å; L481-L510 HydrophobicContact CD2-CB 3.75Å
482	N	85.7	Confident	75.4	Confident	57 Å²	57	54 Å²	54	31%	0.305	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.4	173.4	63.1	4.3	0	0	0	113.2	Q480 R485	Q480-N482 WeakPolarHBondContact CB-OD1 3.32Å; Q480-N482 PolarHBondContact O-N 2.89Å; Q480-N482 VanDerWaalsContact O-N 3.15Å; Q480-N482 PolarHBondContact O-OD1 2.81Å; N482-R485 PolarHBondContact O-NH1 3.39Å
483	S	81.8	Confident	72.2	Confident	69 Å²	69	63 Å²	63	48%	0.483	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-18.2	-179.8	75.2	0	0	0	0	112.6	Q480 L481 R485	Q480-S483 WeakPolarHBondContact O-CB 3.47Å; Q480-S483 PolarHBondContact O-N 3.35Å; Q480-S483 PolarHBondContact O-OG 2.74Å; L481-S483 PolarHBondContact O-N 3.2Å; S483-R485 PolarHBondContact O-N 3.09Å
484	V	77.9	Confident	69.6	Low	25 Å²	25	71.3 Å²	71.3	15%	0.152	37%	0.372	C	S	.	.			trans	-67.6	134.6	180	177.6	0	0	0	0	109.8	N479 Q480 L481 V486 L510	N479-V484 HydrophobicContact CB-CG2 4.04Å; Q480-V484 PolarHBondContact O-N 3Å; L481-V484 HydrophobicContact CD2-CG2 4.25Å; L481-V484 PolarHBondContact O-N 3.4Å; V484-V486 HydrophobicContact CG1-CG2 4.02Å; V484-L510 HydrophobicContact CG1-CD2 3.82Å; V484-L510 HydrophobicContact CG2-CB 4.02Å; V484-L510 HydrophobicContact CG2-CD2 3.89Å
485	R	69.1	Low	66.9	Low	147 Å²	147	77.8 Å²	77.8	56%	0.555	41%	0.406	S	S	*	.			trans	-125	104.3	170.7	-64.3	-68.4	-177.5	-92.3	0.5	106.8	N482 S483 F487	N482-R485 PolarHBondContact O-NH1 3.39Å; S483-R485 PolarHBondContact O-N 3.09Å; R485-F487 PolarHBondContact O-N 3.12Å
486	V	62.9	Low	64.5	Low	30 Å²	30	85.2 Å²	85.2	18%	0.182	44%	0.44	C	S	.	.			trans	-75.3	113.6	177.9	-174.4	0	0	0	0	109.2	L169 A369 L370 F400 V484 G488	L169-V486 HydrophobicContact CD2-CG1 4.33Å; A369-V486 WeakPolarHBondContact O-CG1 3.28Å; L370-V486 VanDerWaalsContact C-CG2 3.47Å; L370-V486 WeakPolarHBondContact O-CG2 3.38Å; F400-V486 HydrophobicContact CE1-CG2 4.16Å; F400-V486 HydrophobicContact CZ-CG2 4.12Å; V484-V486 HydrophobicContact CG1-CG2 4.02Å; V486-G488 PolarHBondContact O-N 3.25Å
487	F	50.5	Low	62.6	Low	176 Å²	176	91.3 Å²	91.3	77%	0.772	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	123.1	-175.5	-74.2	-79.4	0	0	0	112.7	K164 R485	K164-F487 PolarHBondContact NZ-O 2.95Å; R485-F487 PolarHBondContact O-N 3.12Å
488	G	45.7	Very low	61.2	Low	34 Å²	34	92.9 Å²	92.9	35%	0.351	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	32.6	164.1	0	0	0	0	0	116.2	K164 V486 N490	K164-G488 PolarHBondContact NZ-O 2.75Å; V486-G488 PolarHBondContact O-N 3.25Å; G488-N490 VanDerWaalsContact C-N 3.34Å; G488-N490 PolarHBondContact O-N 3.42Å
489	T	46.4	Very low	60.1	Low	69 Å²	69	93.4 Å²	93.4	42%	0.423	48%	0.475	S	S	.	.			trans	-61.6	107.2	149.7	49.4	0	0	0	0	106.7	L370 S491	L370-T489 HydrophobicContact CD2-CG2 3.9Å; T489-S491 PolarHBondContact O-N 2.75Å; T489-S491 VanDerWaalsContact O-N 3.16Å
490	N	38.9	Very low	59.5	Low	132 Å²	132	95.5 Å²	95.5	71%	0.706	48%	0.482	S	S	*	.			trans	-60.7	120.8	-175.4	-73.2	-30.3	0	0	0	109.5	G488 I492	G488-N490 VanDerWaalsContact C-N 3.34Å; G488-N490 PolarHBondContact O-N 3.42Å; N490-I492 VanDerWaalsContact C-N 3.32Å; N490-I492 PolarHBondContact O-N 3.21Å
491	S	35.6	Very low	59.5	Low	125 Å²	125	94.8 Å²	94.8	87%	0.874	48%	0.48	S	S	*	.	S	Bend	trans	56.4	20.7	150.5	-51.9	0	0	0	0	119.9	T489	T489-S491 PolarHBondContact O-N 2.75Å; T489-S491 VanDerWaalsContact O-N 3.16Å
492	I	40.6	Very low	59.7	Low	114 Å²	114	94.7 Å²	94.7	59%	0.585	48%	0.479	S	S	*	.			trans	-98.8	94.8	154.1	-45.7	177.2	0	0	0	107.2	N490 W494	N490-I492 VanDerWaalsContact C-N 3.32Å; N490-I492 PolarHBondContact O-N 3.21Å; I492-W494 VanDerWaalsContact CG2-CD1 3.43Å; I492-W494 HydrophobicContact CG2-CD2 3.98Å; I492-W494 HydrophobicContact CG2-CG 3.91Å; I492-W494 HydrophobicContact CG2-CZ2 4.13Å; I492-W494 PolarHBondContact O-N 3.06Å
493	K	30.4	Very low	60.1	Low	191 Å²	191	92.1 Å²	92.1	83%	0.83	47%	0.465	S	S	*	.			trans	-69.8	64.8	170.5	-161.1	-176.8	-172.5	-176.2	0	108.5	L495	K493-L495 PolarHBondContact O-N 3.25Å
494	W	42.8	Very low	60.8	Low	173 Å²	173	88.8 Å²	88.8	66%	0.655	44%	0.442	S	S	*	.			trans	-62	107.7	157	-64.5	113.8	0	0	0	104.6	I492 Q496	I492-W494 VanDerWaalsContact CG2-CD1 3.43Å; I492-W494 HydrophobicContact CG2-CD2 3.98Å; I492-W494 HydrophobicContact CG2-CG 3.91Å; I492-W494 HydrophobicContact CG2-CZ2 4.13Å; I492-W494 PolarHBondContact O-N 3.06Å; W494-Q496 PolarHBondContact O-N 3.35Å
495	L	40.5	Very low	61.6	Low	136 Å²	136	88.9 Å²	88.9	71%	0.712	44%	0.441	S	S	*	.			trans	-53.8	112.1	174.6	-90.4	98.5	0	0	0	107.7	K493 E497	K493-L495 PolarHBondContact O-N 3.25Å; L495-E497 PolarHBondContact O-N 2.88Å
496	Q	45.3	Very low	62.9	Low	175 Å²	175	82 Å²	82	82%	0.818	42%	0.415	S	S	*	.			trans	41.8	35.2	148.3	-71.6	175.8	-46.3	0	0	117.6	W494 T498	W494-Q496 PolarHBondContact O-N 3.35Å; Q496-T498 PolarHBondContact O-N 3.18Å
497	E	56.4	Low	64.5	Low	155 Å²	155	80.6 Å²	80.6	72%	0.724	41%	0.407	S	S	*	.			trans	-81.9	79.1	162.4	-75.8	-177.8	-175.4	0	0	106.9	L495	L495-E497 PolarHBondContact O-N 2.88Å
498	T	64.6	Low	66.6	Low	40 Å²	40	72.7 Å²	72.7	25%	0.245	37%	0.374	C	S	.	.			trans	-59.3	138.2	164	57.2	0	0	0	0	107.8	Q496 Q500	Q496-T498 PolarHBondContact O-N 3.18Å; T498-Q500 WeakPolarHBondContact O-CG 3.39Å; T498-Q500 PolarHBondContact O-N 3.41Å; T498-Q500 PolarHBondContact O-NE2 3.34Å; T498-Q500 PolarHBondContact OG1-NE2 3.11Å
499	D	72.1	Confident	69	Low	24 Å²	24	71 Å²	71	13%	0.128	36%	0.357	C	S	.	.			trans	-54.1	131	177	-166.5	-11.1	0	0	0	109.9	R372 V373 L481 S501	R372-D499 WeakPolarHBondContact CA-OD2 3.33Å; R372-D499 HydrophobicContact CB-CB 4.45Å; R372-D499 HydrophobicContact CG-CB 4.13Å; V373-D499 PolarHBondContact N-OD2 3.2Å; L481-D499 HydrophobicContact CB-CB 3.82Å; L481-D499 VanDerWaalsContact CD1-OD2 3.29Å; L481-D499 WeakPolarHBondContact CD1-OD2 3.22Å; D499-S501 WeakPolarHBondContact OD1-CB 2.99Å; D499-S501 PolarHBondContact OD1-N 3.22Å; D499-S501 PolarHBondContact OD1-OG 3.47Å; D499-S501 PolarHBondContact OD2-OG 2.94Å
500	Q	79.6	Confident	71.3	Confident	107 Å²	107	68.3 Å²	68.3	50%	0.5	34%	0.34	S	S	.	.			trans	-104.6	22.3	-179.5	-65.4	-53	-47.5	0	0	111.2	T498 P540	T498-Q500 WeakPolarHBondContact O-CG 3.39Å; T498-Q500 PolarHBondContact O-N 3.41Å; T498-Q500 PolarHBondContact O-NE2 3.34Å; T498-Q500 PolarHBondContact OG1-NE2 3.11Å; Q500-P540 VanDerWaalsContact C-CG 3.48Å; Q500-P540 HydrophobicContact CB-CG 3.79Å; Q500-P540 VanDerWaalsContact O-CB 3.28Å; Q500-P540 WeakPolarHBondContact O-CB 3.33Å; Q500-P540 WeakPolarHBondContact O-CG 3.3Å; Q500-P540 VanDerWaalsContact OE1-CG 3.3Å
501	S	91.8	Very high	74	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.063	31%	0.307	C	S	.	.			trans	-63.3	144.9	174.7	-81.7	0	0	0	0	112.9	V373 D499 E505 Q506	V373-S501 WeakPolarHBondContact CG2-OG 3.45Å; D499-S501 WeakPolarHBondContact OD1-CB 2.99Å; D499-S501 PolarHBondContact OD1-N 3.22Å; D499-S501 PolarHBondContact OD1-OG 3.47Å; D499-S501 PolarHBondContact OD2-OG 2.94Å; S501-E505 VanDerWaalsContact CA-OE2 3.29Å; S501-E505 WeakPolarHBondContact CA-OE2 3.35Å; S501-E505 PolarHBondContact OG-OE1 3.47Å; S501-Q506 PolarHBondContact O-NE2 3.18Å
502	S	94.9	Very high	76.9	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	27%	0.273	C	S	.	.			trans	-80.5	170.4	173.8	71.1	0	0	0	0	112.3	F504 E505 Q506 P540	S502-F504 PolarHBondContact O-N 3.13Å; S502-F504 PolarHBondContact OG-N 3.15Å; S502-E505 PolarHBondContact N-OE2 2.82Å; S502-E505 PolarHBondContact O-N 3.26Å; S502-E505 PolarHBondContact OG-OE2 2.76Å; S502-Q506 WeakPolarHBondContact O-CG 3.29Å; S502-Q506 PolarHBondContact O-N 3.18Å; S502-Q506 VanDerWaalsContact O-N 3.08Å; S502-P540 WeakPolarHBondContact CA-O 3.21Å; S502-P540 WeakPolarHBondContact CB-O 3.44Å
503	M	95.6	Very high	79.5	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-27.6	171.4	66.3	175.9	57	0	0	112.8	V393 E505 G507 P531 Y541 M542	V393-M503 HydrophobicContact CG1-CB 4.11Å; V393-M503 HydrophobicContact CG1-CG 4.21Å; V393-M503 VanDerWaalsContact CG1-O 3.23Å; V393-M503 WeakPolarHBondContact CG1-O 3.21Å; V393-M503 HydrophobicContact CG2-CG 3.95Å; V393-M503 HydrophobicContact CG2-SD 3.45Å; V393-M503 WeakPolarHBondContact CG2-SD 2.93Å; M503-E505 PolarHBondContact O-N 2.8Å; M503-G507 WeakPolarHBondContact O-CA 3.48Å; M503-G507 PolarHBondContact O-N 3.29Å; M503-P531 HydrophobicContact CE-CB 4.18Å; M503-P531 HydrophobicContact CE-CG 4.45Å; M503-P531 HydrophobicContact SD-CB 4.31Å; M503-P531 HydrophobicContact SD-CG 4.19Å; M503-Y541 HydrophobicContact CB-CD2 4.39Å; M503-Y541 HydrophobicContact CB-CE1 4.28Å; M503-Y541 HydrophobicContact CB-CE2 3.97Å; M503-Y541 HydrophobicContact CE-CD1 3.88Å; M503-Y541 HydrophobicContact CE-CE1 3.62Å; M503-Y541 WeakPolarHBondContact CG-O 3.32Å; M503-Y541 PolarHBondContact N-O 3.09Å; M503-M542 HydrophobicContact CE-CE 3.37Å; M503-M542 HydrophobicContact CE-SD 3.33Å; M503-M542 WeakPolarHBondContact CE-SD 3.46Å; M503-M542 HydrophobicContact SD-SD 4.2Å
504	F	95.3	Very high	82.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-77.1	1.7	175.8	-67.9	-83.7	0	0	0	113.4	F349 G380 M381 Y390 R392 V393 K394 S502 W543 Y545	F349-F504 HydrophobicContact CE1-CB 4.11Å; G380-F504 WeakPolarHBondContact CA-O 3.18Å; G380-F504 PolarHBondContact N-O 2.83Å; M381-F504 HydrophobicContact CB-CD1 4.25Å; M381-F504 HydrophobicContact CB-CE1 4.2Å; Y390-F504 HydrophobicContact CD1-CD2 4.44Å; Y390-F504 HydrophobicContact CD1-CE2 4.41Å; Y390-F504 WeakPolarHBondContact O-CE1 2.99Å; R392-F504 WeakPolarHBondContact O-CE1 3.48Å; V393-F504 HydrophobicContact CG2-CE1 4.06Å; V393-F504 HydrophobicContact CG2-CZ 4.05Å; K394-F504 CarbonylContact O-C 3.4Å; K394-F504 WeakPolarHBondContact O-CA 3.35Å; S502-F504 PolarHBondContact O-N 3.13Å; S502-F504 PolarHBondContact OG-N 3.15Å; F504-W543 WeakPolarHBondContact CD2-O 3.21Å; F504-Y545 AromaticContact CE2-CE2 3.78Å; F504-Y545 HydrophobicContact CE2-CE2 3.78Å; F504-Y545 AromaticContact CZ-CE2 3.97Å; F504-Y545 HydrophobicContact CZ-CE2 3.97Å
505	E	95.2	Very high	84.9	Confident	26 Å²	26	40.1 Å²	40.1	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-117.9	-36.2	174.3	-56.4	174.9	80.7	0	0	111.6	F349 V373 R379 P395 S501 S502 M503	F349-E505 HydrophobicContact CE1-CG 3.92Å; F349-E505 HydrophobicContact CE2-CG 4.11Å; F349-E505 HydrophobicContact CZ-CG 3.38Å; V373-E505 HydrophobicContact CG2-CB 4.14Å; R379-E505 HydrophobicContact CB-CB 4.26Å; R379-E505 HydrophobicContact CB-CG 4.14Å; R379-E505 HydrophobicContact CG-CG 4.24Å; R379-E505 IonicContact NH1-OE1 3.49Å; P395-E505 WeakPolarHBondContact CD-O 3.07Å; P395-E505 WeakPolarHBondContact CG-O 3.26Å; S501-E505 VanDerWaalsContact CA-OE2 3.29Å; S501-E505 WeakPolarHBondContact CA-OE2 3.35Å; S501-E505 PolarHBondContact OG-OE1 3.47Å; S502-E505 PolarHBondContact N-OE2 2.82Å; S502-E505 PolarHBondContact O-N 3.26Å; S502-E505 PolarHBondContact OG-OE2 2.76Å; M503-E505 PolarHBondContact O-N 2.8Å
506	Q	95.3	Very high	87.5	Confident	3 Å²	3	33.6 Å²	33.6	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-107.2	-9.1	-175.8	78.3	-176	-83.8	0	0	114.5	V373 V398 L481 S501 S502 G509 Y541	V373-Q506 HydrophobicContact CG2-CB 4.3Å; V398-Q506 HydrophobicContact CG2-CB 4.32Å; L481-Q506 HydrophobicContact CD1-CB 3.7Å; L481-Q506 HydrophobicContact CG-CB 3.99Å; S501-Q506 PolarHBondContact O-NE2 3.18Å; S502-Q506 WeakPolarHBondContact O-CG 3.29Å; S502-Q506 PolarHBondContact O-N 3.18Å; S502-Q506 VanDerWaalsContact O-N 3.08Å; Q506-G509 WeakPolarHBondContact O-CA 3.44Å; Q506-G509 PolarHBondContact O-N 3.47Å; Q506-Y541 HydrophobicContact CG-CE2 4.23Å
507	G	96.4	Very high	89.8	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.01	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-134.1	-168.5	0	0	0	0	0	111.8	P395 M503 G509 Y541	P395-G507 WeakPolarHBondContact O-CA 3.2Å; M503-G507 WeakPolarHBondContact O-CA 3.48Å; M503-G507 PolarHBondContact O-N 3.29Å; G507-G509 PolarHBondContact O-N 2.97Å; G507-Y541 PolarHBondContact O-OH 3.34Å
508	A	95.5	Very high	91.5	Very high	9 Å²	9	21.4 Å²	21.4	7%	0.074	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.1	168.7	0	0	0	0	0	114	D396 I475 A478 M530	D396-A508 PolarHBondContact O-N 3.01Å; I475-A508 HydrophobicContact CB-CB 4.49Å; I475-A508 HydrophobicContact CG2-CB 4.06Å; I475-A508 WeakPolarHBondContact O-CB 3.39Å; A478-A508 HydrophobicContact CB-CB 3.92Å; A508-M530 HydrophobicContact CB-CE 3.62Å; A508-M530 HydrophobicContact CB-SD 4.38Å
509	G	94.9	Very high	92.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.			trans	118.4	-161.2	176.9	0	0	0	0	0	114.1	V398 N479 Q506 G507	V398-G509 PolarHBondContact N-O 3.14Å; N479-G509 CarbonylContact O-C 3.57Å; N479-G509 WeakPolarHBondContact O-CA 3.29Å; Q506-G509 WeakPolarHBondContact O-CA 3.44Å; Q506-G509 PolarHBondContact O-N 3.47Å; G507-G509 PolarHBondContact O-N 2.97Å
510	L	95.4	Very high	93.8	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.058	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-71.7	131.2	-177.2	-173.2	67	0	0	0	111.3	V367 V398 I399 F400 A478 N479 L481 V484 N512	V367-L510 HydrophobicContact CG2-CD1 3.73Å; V398-L510 WeakPolarHBondContact O-CA 2.86Å; I399-L510 HydrophobicContact CD1-CD1 3.93Å; F400-L510 HydrophobicContact CD2-CD1 4.27Å; F400-L510 HydrophobicContact CE2-CD1 4.06Å; F400-L510 HydrophobicContact CE2-CD2 3.79Å; F400-L510 HydrophobicContact CE2-CG 4.45Å; F400-L510 HydrophobicContact CZ-CD1 4.4Å; F400-L510 HydrophobicContact CZ-CD2 3.78Å; A478-L510 CarbonylContact C-O 3.58Å; A478-L510 WeakPolarHBondContact CA-O 3.41Å; N479-L510 PolarHBondContact N-O 2.79Å; N479-L510 PolarHBondContact O-N 3.13Å; L481-L510 HydrophobicContact CD2-CB 3.75Å; V484-L510 HydrophobicContact CG1-CD2 3.82Å; V484-L510 HydrophobicContact CG2-CB 4.02Å; V484-L510 HydrophobicContact CG2-CD2 3.89Å; L510-N512 PolarHBondContact O-N 3.36Å
511	V	96.7	Very high	94.3	Very high	2 Å²	2	15 Å²	15	1%	0.012	8%	0.08	C	C	.	.			trans	-52.8	132.8	176.2	174.8	0	0	0	0	111.7	L170 I397 V398 I399 V426 V429 L474	L170-V511 HydrophobicContact CD1-CG1 4.44Å; L170-V511 HydrophobicContact CD2-CB 4.48Å; L170-V511 HydrophobicContact CD2-CG1 4.46Å; L170-V511 WeakPolarHBondContact CD2-O 3.02Å; I397-V511 HydrophobicContact CB-CG2 4.36Å; I397-V511 HydrophobicContact CD1-CG2 3.57Å; I397-V511 HydrophobicContact CG1-CG2 4.42Å; V398-V511 PolarHBondContact O-N 2.68Å; V398-V511 VanDerWaalsContact O-N 3.11Å; I399-V511 HydrophobicContact CB-CG2 4.41Å; I399-V511 HydrophobicContact CD1-CB 4.19Å; V426-V511 HydrophobicContact CG2-CG2 4.16Å; V429-V511 HydrophobicContact CG1-CG1 4.03Å; V429-V511 HydrophobicContact CG2-CG1 4.46Å; L474-V511 HydrophobicContact CD2-CG1 4.1Å
512	N	95	Very high	94.2	Very high	31 Å²	31	17.7 Å²	17.7	17%	0.166	9%	0.088	C	C	.	.			trans	-117.8	95.3	173.4	-176.9	-19.5	0	0	0	109.7	S477 N479 L510 Q514 S515 A516	S477-N512 WeakPolarHBondContact O-CB 3.19Å; N479-N512 PolarHBondContact ND2-ND2 2.76Å; L510-N512 PolarHBondContact O-N 3.36Å; N512-Q514 VanDerWaalsContact C-N 3.34Å; N512-Q514 PolarHBondContact O-N 2.97Å; N512-Q514 PolarHBondContact OD1-N 2.67Å; N512-S515 PolarHBondContact ND2-OG 2.89Å; N512-S515 PolarHBondContact O-N 3.2Å; N512-S515 PolarHBondContact OD1-N 3.35Å; N512-S515 VanDerWaalsContact OD1-N 3.13Å; N512-S515 PolarHBondContact OD1-OG 3.06Å; N512-A516 WeakPolarHBondContact O-CB 3.43Å; N512-A516 PolarHBondContact O-N 2.98Å
513	L	95.4	Very high	94	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	9%	0.089	C	C	.	.	H	α-helix	trans	-59.7	-42	-175.4	173.1	62.5	0	0	0	112.6	L170 A172 A175 V429 L432 L433 A516 L517	L170-L513 HydrophobicContact CB-CB 4.32Å; A172-L513 HydrophobicContact CB-CD2 4.18Å; A175-L513 HydrophobicContact CB-CD2 4.47Å; V429-L513 HydrophobicContact CG1-CD1 3.89Å; V429-L513 HydrophobicContact CG2-CD1 4.46Å; L432-L513 HydrophobicContact CB-CD1 4.42Å; L432-L513 HydrophobicContact CD1-CD1 4.17Å; L432-L513 HydrophobicContact CD1-CD2 4.08Å; L433-L513 HydrophobicContact CD2-CD1 4.44Å; L513-A516 PolarHBondContact O-N 2.55Å; L513-L517 HydrophobicContact CD1-CD1 3.97Å; L513-L517 HydrophobicContact CD1-CG 4.05Å; L513-L517 HydrophobicContact CG-CD1 4.04Å; L513-L517 WeakPolarHBondContact O-CB 3.28Å; L513-L517 VanDerWaalsContact O-CG 3.29Å; L513-L517 WeakPolarHBondContact O-CG 3.4Å; L513-L517 PolarHBondContact O-N 3.21Å
514	Q	93.6	Very high	93.7	Very high	67 Å²	67	21.6 Å²	21.6	31%	0.313	11%	0.105	S	C	.	.	H	α-helix	trans	-64.2	-51.2	-177.6	174.1	169.1	2.8	0	0	111.4	Y174 N512 A516 L517 E518	Y174-Q514 HydrophobicContact CD1-CB 4.25Å; Y174-Q514 HydrophobicContact CD1-CG 4.14Å; Y174-Q514 HydrophobicContact CE1-CB 4.15Å; Y174-Q514 HydrophobicContact CE1-CG 3.62Å; N512-Q514 VanDerWaalsContact C-N 3.34Å; N512-Q514 PolarHBondContact O-N 2.97Å; N512-Q514 PolarHBondContact OD1-N 2.67Å; Q514-A516 VanDerWaalsContact C-N 3.32Å; Q514-A516 PolarHBondContact O-N 2.75Å; Q514-L517 PolarHBondContact O-N 2.91Å; Q514-E518 PolarHBondContact O-N 2.62Å
515	S	92.4	Very high	93.6	Very high	40 Å²	40	22.4 Å²	22.4	28%	0.28	11%	0.111	S	C	.	.	H	α-helix	trans	-65.3	-37.3	178.1	-62.1	0	0	0	0	111.6	N512 L517 E518 I519	N512-S515 PolarHBondContact ND2-OG 2.89Å; N512-S515 PolarHBondContact O-N 3.2Å; N512-S515 PolarHBondContact OD1-N 3.35Å; N512-S515 VanDerWaalsContact OD1-N 3.13Å; N512-S515 PolarHBondContact OD1-OG 3.06Å; S515-L517 PolarHBondContact O-N 3.32Å; S515-E518 PolarHBondContact O-N 3.29Å; S515-I519 WeakPolarHBondContact O-CG1 3.28Å; S515-I519 PolarHBondContact O-N 2.61Å
516	A	95.8	Very high	93.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-40.7	175.3	0	0	0	0	0	112.5	L433 L474 S477 N512 L513 Q514 I519 V520	L433-A516 HydrophobicContact CD1-CB 3.96Å; L433-A516 VanDerWaalsContact CD2-C 3.5Å; L433-A516 HydrophobicContact CD2-CB 3.63Å; L433-A516 HydrophobicContact CG-CB 4.43Å; L474-A516 HydrophobicContact CD2-CB 4.36Å; S477-A516 WeakPolarHBondContact OG-CB 3.38Å; N512-A516 WeakPolarHBondContact O-CB 3.43Å; N512-A516 PolarHBondContact O-N 2.98Å; L513-A516 PolarHBondContact O-N 2.55Å; Q514-A516 VanDerWaalsContact C-N 3.32Å; Q514-A516 PolarHBondContact O-N 2.75Å; A516-I519 PolarHBondContact O-N 3.15Å; A516-V520 WeakPolarHBondContact O-CB 3.41Å; A516-V520 PolarHBondContact O-N 3.2Å
517	L	94.4	Very high	93.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.6	-43.1	175.8	-77.5	166.4	0	0	0	111.8	Y174 A175 L180 L433 A436 L513 Q514 S515 Q521	Y174-L517 HydrophobicContact CD1-CD1 4.01Å; Y174-L517 HydrophobicContact CE1-CD1 4.22Å; A175-L517 HydrophobicContact CB-CD1 3.84Å; L180-L517 HydrophobicContact CD1-CD1 4.45Å; L180-L517 HydrophobicContact CD1-CD2 3.67Å; L433-L517 HydrophobicContact CD2-CB 4.42Å; L433-L517 HydrophobicContact CD2-CD2 3.83Å; L433-L517 HydrophobicContact CD2-CG 3.86Å; A436-L517 HydrophobicContact CB-CD2 3.55Å; L513-L517 HydrophobicContact CD1-CD1 3.97Å; L513-L517 HydrophobicContact CD1-CG 4.05Å; L513-L517 HydrophobicContact CG-CD1 4.04Å; L513-L517 WeakPolarHBondContact O-CB 3.28Å; L513-L517 VanDerWaalsContact O-CG 3.29Å; L513-L517 WeakPolarHBondContact O-CG 3.4Å; L513-L517 PolarHBondContact O-N 3.21Å; Q514-L517 PolarHBondContact O-N 2.91Å; S515-L517 PolarHBondContact O-N 3.32Å; L517-Q521 VanDerWaalsContact O-CG 3.28Å; L517-Q521 WeakPolarHBondContact O-CG 3.15Å; L517-Q521 PolarHBondContact O-N 3.19Å; L517-Q521 PolarHBondContact O-OE1 3.18Å
518	E	90.9	Very high	93.6	Very high	74 Å²	74	22.3 Å²	22.3	35%	0.346	11%	0.112	S	C	.	.	H	α-helix	trans	-67.3	-39.2	179.1	-70	171.4	-166	0	0	112.1	Y174 Q514 S515 R522	Y174-E518 PolarHBondContact OH-OE1 3.47Å; Y174-E518 VanDerWaalsContact OH-OE1 3.12Å; Q514-E518 PolarHBondContact O-N 2.62Å; S515-E518 PolarHBondContact O-N 3.29Å; E518-R522 WeakPolarHBondContact O-CD 3.3Å
519	I	93.4	Very high	93.7	Very high	25 Å²	25	22.2 Å²	22.2	13%	0.128	11%	0.11	C	C	.	.	H	α-helix	trans	-66.6	-53.3	175.8	-71.6	177.7	0	0	0	110.2	A473 A476 S515 A516 Q521 R522 M523 L1058 L1060	A473-I519 HydrophobicContact CB-CB 4.48Å; A473-I519 HydrophobicContact CB-CG2 3.77Å; A476-I519 HydrophobicContact CB-CD1 4.26Å; S515-I519 WeakPolarHBondContact O-CG1 3.28Å; S515-I519 PolarHBondContact O-N 2.61Å; A516-I519 PolarHBondContact O-N 3.15Å; I519-Q521 VanDerWaalsContact C-N 3.26Å; I519-Q521 PolarHBondContact O-N 3.23Å; I519-R522 CarbonylContact O-C 3.48Å; I519-R522 PolarHBondContact O-N 3.1Å; I519-M523 HydrophobicContact CG2-SD 4.23Å; I519-M523 WeakPolarHBondContact O-CB 3.32Å; I519-M523 PolarHBondContact O-N 2.99Å; I519-L1058 HydrophobicContact CG2-CD1 3.84Å; I519-L1060 HydrophobicContact CG1-CD1 4.48Å; I519-L1060 HydrophobicContact CG2-CD2 4.14Å
520	V	93.2	Very high	93.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-35.8	-172.2	82.4	0	0	0	0	111.6	L433 A436 A437 V463 I470 A473 A516 R522	L433-V520 HydrophobicContact CB-CG1 4.19Å; L433-V520 HydrophobicContact CB-CG2 4.48Å; L433-V520 HydrophobicContact CD2-CG1 4.11Å; A436-V520 HydrophobicContact CB-CG1 4.26Å; A437-V520 HydrophobicContact CB-CG2 4.14Å; V463-V520 WeakPolarHBondContact CG1-O 3.29Å; I470-V520 HydrophobicContact CD1-CG2 3.61Å; A473-V520 HydrophobicContact CB-CB 4.25Å; A473-V520 HydrophobicContact CB-CG2 4.45Å; A516-V520 WeakPolarHBondContact O-CB 3.41Å; A516-V520 PolarHBondContact O-N 3.2Å; V520-R522 PolarHBondContact O-N 3.39Å
521	Q	89.7	Confident	93.7	Very high	10 Å²	10	22.5 Å²	22.5	5%	0.047	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.1	179	-67.6	-176.5	-61.9	0	0	114	A436 V463 L517 I519	A436-Q521 HydrophobicContact CB-CG 3.88Å; A436-Q521 PolarHBondContact O-NE2 3.41Å; V463-Q521 WeakPolarHBondContact CG2-O 3.31Å; L517-Q521 VanDerWaalsContact O-CG 3.28Å; L517-Q521 WeakPolarHBondContact O-CG 3.15Å; L517-Q521 PolarHBondContact O-N 3.19Å; L517-Q521 PolarHBondContact O-OE1 3.18Å; I519-Q521 VanDerWaalsContact C-N 3.26Å; I519-Q521 PolarHBondContact O-N 3.23Å
522	R	89.1	Confident	93.7	Very high	66 Å²	66	23.3 Å²	23.3	25%	0.249	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-1.5	-174.2	-65.7	169.4	56.5	-149.3	-5	113.2	E518 I519 V520 K524 L1060 Y1061	E518-R522 WeakPolarHBondContact O-CD 3.3Å; I519-R522 CarbonylContact O-C 3.48Å; I519-R522 PolarHBondContact O-N 3.1Å; V520-R522 PolarHBondContact O-N 3.39Å; R522-K524 PolarHBondContact O-N 2.85Å; R522-L1060 HydrophobicContact CB-CB 4.12Å; R522-L1060 HydrophobicContact CB-CD2 4.43Å; R522-L1060 CarbonylContact O-C 3.43Å; R522-L1060 VanDerWaalsContact O-CA 3.24Å; R522-L1060 WeakPolarHBondContact O-CA 3.1Å; R522-Y1061 PolarHBondContact NE-O 3.21Å; R522-Y1061 PolarHBondContact NH2-O 2.94Å; R522-Y1061 VanDerWaalsContact O-CD2 3.24Å; R522-Y1061 WeakPolarHBondContact O-CD2 3.3Å; R522-Y1061 PolarHBondContact O-N 2.82Å
523	M	90.6	Very high	93.7	Very high	3 Å²	3	22 Å²	22	2%	0.015	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-71.7	130.2	-169.7	-165.3	173.2	71.2	0	0	112.1	S469 Q472 A473 I519 L1058 L1060	S469-M523 WeakPolarHBondContact O-CE 2.94Å; Q472-M523 HydrophobicContact CB-SD 4.3Å; A473-M523 HydrophobicContact CB-SD 4.47Å; I519-M523 HydrophobicContact CG2-SD 4.23Å; I519-M523 WeakPolarHBondContact O-CB 3.32Å; I519-M523 PolarHBondContact O-N 2.99Å; M523-L1058 HydrophobicContact CG-CD1 4.34Å; M523-L1058 HydrophobicContact SD-CD1 3.56Å; M523-L1058 VanDerWaalsContact SD-CD1 3.56Å; M523-L1060 HydrophobicContact CB-CD2 4.21Å; M523-L1060 HydrophobicContact CG-CD2 4.42Å
524	K	90.2	Very high	93.8	Very high	81 Å²	81	21.9 Å²	21.9	35%	0.352	11%	0.11	S	C	.	.	P	Polyproline II helix	trans	-79.2	146.8	169.1	-65.1	-172.4	176.9	-173.1	0	110.1	R522 Q526 L1059 Y1061	R522-K524 PolarHBondContact O-N 2.85Å; K524-Q526 PolarHBondContact O-N 2.87Å; K524-Q526 PolarHBondContact O-NE2 3.32Å; K524-L1059 HydrophobicContact CB-CB 4.17Å; K524-L1059 WeakPolarHBondContact CB-O 3.2Å; K524-L1059 HydrophobicContact CD-CB 4.35Å; K524-L1059 PolarHBondContact N-O 3.19Å; K524-Y1061 HydrophobicContact CD-CD1 4.36Å; K524-Y1061 HydrophobicContact CD-CE1 4.16Å; K524-Y1061 VanDerWaalsContact CE-CD1 3.43Å; K524-Y1061 HydrophobicContact CG-CD1 4.09Å; K524-Y1061 HydrophobicContact CG-CD2 4.01Å; K524-Y1061 HydrophobicContact CG-CE1 3.87Å; K524-Y1061 HydrophobicContact CG-CE2 3.8Å; K524-Y1061 HydrophobicContact CG-CG 4.15Å
525	P	91.8	Very high	94	Very high	18 Å²	18	19.4 Å²	19.4	12%	0.117	10%	0.099	C	C	.	.	S	Bend	trans	-56.9	122.5	169.6	-22.7	34.7	0	0	0	110.5	L464 M567 L650	L464-P525 HydrophobicContact CB-CG 4.48Å; L464-P525 HydrophobicContact CD1-CB 3.65Å; L464-P525 HydrophobicContact CD1-CG 3.38Å; L464-P525 HydrophobicContact CG-CB 4.5Å; L464-P525 HydrophobicContact CG-CG 3.76Å; P525-M567 HydrophobicContact CB-CG 4.17Å; P525-L650 HydrophobicContact CB-CD1 4.03Å
526	Q	94	Very high	94.2	Very high	8 Å²	8	18 Å²	18	4%	0.037	9%	0.088	C	C	.	.			trans	-159.4	164.9	-175.9	71.4	-163.1	-68.5	0	0	112.8	Q472 K524 S566 T652 L1059	Q472-Q526 PolarHBondContact NE2-O 3.2Å; K524-Q526 PolarHBondContact O-N 2.87Å; K524-Q526 PolarHBondContact O-NE2 3.32Å; Q526-S566 PolarHBondContact N-OG 3.24Å; Q526-S566 PolarHBondContact O-N 3.11Å; Q526-S566 PolarHBondContact O-OG 2.75Å; Q526-T652 WeakPolarHBondContact CA-OG1 3.04Å; Q526-T652 HydrophobicContact CB-CG2 4.3Å; Q526-L1059 HydrophobicContact CB-CD1 4.35Å; Q526-L1059 VanDerWaalsContact NE2-N 3.1Å; Q526-L1059 PolarHBondContact NE2-O 3.38Å; Q526-L1059 VanDerWaalsContact NE2-O 3.11Å; Q526-L1059 VanDerWaalsContact OE1-CG 3.26Å
527	A	96.4	Very high	94.1	Very high	2 Å²	2	21 Å²	21	2%	0.017	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	156.4	161	0	0	0	0	0	111.7	I563 L564 M567 V639 T652 L654	A527-I563 HydrophobicContact CB-CG2 4.49Å; A527-L564 CarbonylContact C-O 3.53Å; A527-L564 WeakPolarHBondContact CA-O 3.28Å; A527-M567 HydrophobicContact CB-CE 4.32Å; A527-V639 HydrophobicContact CB-CB 3.84Å; A527-V639 HydrophobicContact CB-CG1 4.12Å; A527-V639 HydrophobicContact CB-CG2 3.9Å; A527-T652 HydrophobicContact CB-CG2 4.18Å; A527-T652 PolarHBondContact N-OG1 3.03Å; A527-L654 HydrophobicContact CB-CD1 3.83Å; A527-L654 HydrophobicContact CB-CD2 4.23Å; A527-L654 HydrophobicContact CB-CG 4.27Å; A527-L654 WeakPolarHBondContact O-CD2 3.42Å
528	S	96.9	Very high	94.1	Very high	18 Å²	18	23 Å²	23	13%	0.126	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	169	170.9	56.3	0	0	0	0	110.7	Q472 I563 L564	Q472-S528 VanDerWaalsContact CG-OG 3.3Å; Q472-S528 WeakPolarHBondContact CG-OG 3.25Å; Q472-S528 PolarHBondContact NE2-OG 3.32Å; S528-I563 WeakPolarHBondContact O-CA 3.3Å; S528-L564 PolarHBondContact N-O 2.98Å; S528-L564 PolarHBondContact O-N 2.79Å
529	L	97.2	Very high	94.2	Very high	6 Å²	6	23 Å²	23	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.9	-174.6	-63.9	178.3	0	0	0	111	P531 S532 I561 T562 I563 L654 L656	L529-P531 CarbonylContact C-O 3.52Å; L529-P531 CarbonylContact O-C 3.56Å; L529-S532 WeakPolarHBondContact O-CA 3.22Å; L529-S532 WeakPolarHBondContact O-CB 3.18Å; L529-S532 PolarHBondContact O-N 3.18Å; L529-I561 HydrophobicContact CB-CG2 3.86Å; L529-I561 HydrophobicContact CD2-CG2 3.89Å; L529-I561 HydrophobicContact CG-CG2 4.34Å; L529-T562 CarbonylContact C-O 3.52Å; L529-T562 WeakPolarHBondContact CA-O 3.25Å; L529-I563 HydrophobicContact CD2-CB 4.42Å; L529-I563 HydrophobicContact CD2-CG1 3.83Å; L529-I563 HydrophobicContact CD2-CG2 4.39Å; L529-L654 HydrophobicContact CD1-CB 4.26Å; L529-L654 HydrophobicContact CD2-CD1 3.79Å; L529-L654 HydrophobicContact CG-CB 4.42Å; L529-L654 HydrophobicContact CG-CD1 4.08Å; L529-L654 HydrophobicContact CG-CD2 4.37Å; L529-L656 HydrophobicContact CD1-CB 3.78Å; L529-L656 HydrophobicContact CD1-CD1 4.03Å; L529-L656 HydrophobicContact CD1-CG 4.42Å
530	M	95.4	Very high	94.1	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.054	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.9	173.3	-178.1	71.3	131.7	0	0	110.7	D396 I475 A508 T562 L564	D396-M530 WeakPolarHBondContact O-CE 3.15Å; I475-M530 HydrophobicContact CB-CE 4.01Å; I475-M530 HydrophobicContact CD1-CE 3.66Å; I475-M530 HydrophobicContact CG1-CE 3.52Å; I475-M530 HydrophobicContact CG2-CE 3.37Å; I475-M530 HydrophobicContact CG2-SD 3.52Å; I475-M530 VanDerWaalsContact CG2-SD 3.52Å; A508-M530 HydrophobicContact CB-CE 3.62Å; A508-M530 HydrophobicContact CB-SD 4.38Å; M530-T562 PolarHBondContact N-O 2.71Å; M530-T562 PolarHBondContact O-N 3.46Å; M530-L564 HydrophobicContact CB-CD1 4.45Å
531	P	95.9	Very high	94.2	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.045	13%	0.13	C	C	.	.	S	Bend	cis	-65.1	157	-7.7	30.8	-35.9	0	0	0	111.6	M503 L529 L534 I561	M503-P531 HydrophobicContact CE-CB 4.18Å; M503-P531 HydrophobicContact CE-CG 4.45Å; M503-P531 HydrophobicContact SD-CB 4.31Å; M503-P531 HydrophobicContact SD-CG 4.19Å; L529-P531 CarbonylContact C-O 3.52Å; L529-P531 CarbonylContact O-C 3.56Å; P531-L534 HydrophobicContact CG-CD2 3.95Å; P531-I561 WeakPolarHBondContact O-CG2 3.24Å
532	S	95.4	Very high	94.4	Very high	19 Å²	19	23.7 Å²	23.7	13%	0.133	13%	0.128	C	C	.	.	S	Bend	trans	-86.3	-9.6	-177	53.7	0	0	0	0	114.5	L529 Q1056	L529-S532 WeakPolarHBondContact O-CA 3.22Å; L529-S532 WeakPolarHBondContact O-CB 3.18Å; L529-S532 PolarHBondContact O-N 3.18Å; S532-Q1056 PolarHBondContact O-NE2 3.01Å; S532-Q1056 PolarHBondContact OG-N 2.79Å
533	Y	96.9	Very high	94.7	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.012	12%	0.123	C	C	.	.			trans	-151.3	158.2	176.8	67.3	-86.4	0	0	0	109.8	Q480 D535 Q538 M542 Y1053 H1054 P1055	Q480-Y533 PolarHBondContact NE2-OH 3.49Å; Y533-D535 HydrophobicContact CD2-CB 3.93Å; Y533-D535 HydrophobicContact CE2-CB 3.92Å; Y533-Q538 VanDerWaalsContact CE2-OE1 3.28Å; Y533-Q538 PolarHBondContact OH-OE1 2.75Å; Y533-M542 HydrophobicContact CD2-CE 4.37Å; Y533-M542 HydrophobicContact CE2-CE 4.07Å; Y533-Y1053 HydrophobicContact CD2-CD1 4.34Å; Y533-Y1053 WeakPolarHBondContact CE2-O 3.1Å; Y533-H1054 WeakPolarHBondContact CD1-O 3.23Å; Y533-H1054 VanDerWaalsContact CE1-C 3.49Å; Y533-P1055 HydrophobicContact CE1-CG 4.5Å
534	L	96.9	Very high	94.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	90.7	176.8	-58.5	-176.9	0	0	0	109.5	P531 L536 M542 I559 I561 V609 L656 P657 I658 K659	P531-L534 HydrophobicContact CG-CD2 3.95Å; L534-L536 HydrophobicContact CB-CD1 3.91Å; L534-M542 HydrophobicContact CD2-SD 4.49Å; L534-I559 HydrophobicContact CD1-CB 4.47Å; L534-I559 HydrophobicContact CD1-CD1 3.86Å; L534-I559 HydrophobicContact CD1-CG2 4.33Å; L534-I559 HydrophobicContact CD2-CD1 4.3Å; L534-I559 HydrophobicContact CD2-CG2 3.71Å; L534-I561 HydrophobicContact CD1-CD1 4.33Å; L534-V609 HydrophobicContact CD1-CG1 4.48Å; L534-L656 HydrophobicContact CD1-CD2 3.88Å; L534-L656 HydrophobicContact CD1-CG 4.33Å; L534-L656 HydrophobicContact CG-CD1 4.09Å; L534-L656 HydrophobicContact CG-CD2 4.17Å; L534-L656 HydrophobicContact CG-CG 4.17Å; L534-P657 PolarHBondContact N-O 2.87Å; L534-I658 HydrophobicContact CB-CG1 4.38Å; L534-I658 HydrophobicContact CD1-CG1 4.24Å; L534-I658 CarbonylContact O-C 3.51Å; L534-I658 VanDerWaalsContact O-CA 3.32Å; L534-I658 WeakPolarHBondContact O-CA 3.42Å; L534-K659 PolarHBondContact O-N 2.74Å
535	D	96.7	Very high	95	Very high	16 Å²	16	19.5 Å²	19.5	9%	0.086	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	92.9	170.1	-172.8	-6.1	0	0	0	110.6	Y533 T537 Q538 M542 K659 Y1053	Y533-D535 HydrophobicContact CD2-CB 3.93Å; Y533-D535 HydrophobicContact CE2-CB 3.92Å; D535-T537 PolarHBondContact O-N 2.74Å; D535-T537 VanDerWaalsContact O-N 3.11Å; D535-T537 WeakPolarHBondContact OD1-CA 3.34Å; D535-T537 WeakPolarHBondContact OD1-CB 3.4Å; D535-T537 PolarHBondContact OD1-N 3.02Å; D535-T537 PolarHBondContact OD1-OG1 2.76Å; D535-Q538 HydrophobicContact CB-CB 4.09Å; D535-Q538 WeakPolarHBondContact O-CB 3.49Å; D535-Q538 PolarHBondContact O-N 2.72Å; D535-Q538 PolarHBondContact OD1-N 2.81Å; D535-M542 VanDerWaalsContact O-CB 3.24Å; D535-M542 WeakPolarHBondContact O-CB 3.32Å; D535-M542 VanDerWaalsContact O-CG 3.26Å; D535-M542 WeakPolarHBondContact O-CG 3.48Å; D535-K659 WeakPolarHBondContact OD1-CD 3.5Å; D535-Y1053 HydrophobicContact CB-CD1 4.07Å
536	L	96.6	Very high	95.2	Very high	9 Å²	9	19.4 Å²	19.4	5%	0.047	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	4.7	178.7	-70.5	64.1	0	0	0	111.8	L534 C546 I557 I559 L611 K659 A660	L534-L536 HydrophobicContact CB-CD1 3.91Å; L536-C546 WeakPolarHBondContact O-CA 3.28Å; L536-C546 WeakPolarHBondContact O-CB 3.23Å; L536-I557 HydrophobicContact CD2-CD1 3.42Å; L536-I557 VanDerWaalsContact CD2-CD1 3.42Å; L536-I559 HydrophobicContact CD1-CD1 4.24Å; L536-L611 HydrophobicContact CD1-CD1 4.36Å; L536-L611 HydrophobicContact CD2-CD1 4.04Å; L536-K659 WeakPolarHBondContact CB-O 3.41Å; L536-K659 PolarHBondContact N-O 2.85Å; L536-A660 HydrophobicContact CB-CB 4.36Å; L536-A660 HydrophobicContact CD2-CB 4.12Å
537	T	95.5	Very high	95.2	Very high	64 Å²	64	20.2 Å²	20.2	39%	0.393	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-14.3	168.9	75.7	0	0	0	0	112.1	D535 C539 K659 N661	D535-T537 PolarHBondContact O-N 2.74Å; D535-T537 VanDerWaalsContact O-N 3.11Å; D535-T537 WeakPolarHBondContact OD1-CA 3.34Å; D535-T537 WeakPolarHBondContact OD1-CB 3.4Å; D535-T537 PolarHBondContact OD1-N 3.02Å; D535-T537 PolarHBondContact OD1-OG1 2.76Å; T537-C539 PolarHBondContact O-N 3.01Å; T537-C539 VanDerWaalsContact O-N 3.13Å; T537-K659 HydrophobicContact CG2-CG 4.22Å; T537-N661 HydrophobicContact CG2-CB 4.21Å
538	Q	93.8	Very high	95.2	Very high	42 Å²	42	21.1 Å²	21.1	20%	0.196	12%	0.121	C	C	.	.	S	Bend	trans	-81.8	89.1	179.9	-168.8	-169.5	5.9	0	0	111.7	Y533 D535 M542	Y533-Q538 VanDerWaalsContact CE2-OE1 3.28Å; Y533-Q538 PolarHBondContact OH-OE1 2.75Å; D535-Q538 HydrophobicContact CB-CB 4.09Å; D535-Q538 WeakPolarHBondContact O-CB 3.49Å; D535-Q538 PolarHBondContact O-N 2.72Å; D535-Q538 PolarHBondContact OD1-N 2.81Å; Q538-M542 VanDerWaalsContact O-CB 3.23Å; Q538-M542 WeakPolarHBondContact O-CB 3.41Å; Q538-M542 PolarHBondContact O-N 3.11Å
539	C	92.7	Very high	95.2	Very high	74 Å²	74	21.5 Å²	21.5	50%	0.5	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	144.2	169.5	-77.3	0	0	0	0	112.8	T537 C546	T537-C539 PolarHBondContact O-N 3.01Å; T537-C539 VanDerWaalsContact O-N 3.13Å; C539-C546 WeakPolarHBondContact CA-SG 3.26Å; C539-C546 HydrophobicContact CB-CB 4.17Å; C539-C546 WeakPolarHBondContact CB-SG 3.49Å; C539-C546 WeakPolarHBondContact SG-CB 3.24Å; C539-C546 PolarHBondContact SG-O 2.87Å; C539-C546 CovalentContact SG-SG 2.04Å; C539-C546 PolarHBondContact SG-SG 2.88Å
540	P	91.8	Very high	95.2	Very high	34 Å²	34	21.5 Å²	21.5	22%	0.221	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.8	0.3	0.8	36.4	-37.5	0	0	0	114	Q500 S502 M542 W543	Q500-P540 VanDerWaalsContact C-CG 3.48Å; Q500-P540 HydrophobicContact CB-CG 3.79Å; Q500-P540 VanDerWaalsContact O-CB 3.28Å; Q500-P540 WeakPolarHBondContact O-CB 3.33Å; Q500-P540 WeakPolarHBondContact O-CG 3.3Å; Q500-P540 VanDerWaalsContact OE1-CG 3.3Å; S502-P540 WeakPolarHBondContact CA-O 3.21Å; S502-P540 WeakPolarHBondContact CB-O 3.44Å; P540-M542 VanDerWaalsContact C-N 3.34Å; P540-M542 PolarHBondContact O-N 2.85Å; P540-W543 WeakPolarHBondContact O-CB 3.48Å; P540-W543 PolarHBondContact O-N 2.87Å
541	Y	93.8	Very high	95.2	Very high	15 Å²	15	21 Å²	21	6%	0.059	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-43	-173.5	-175.1	-106.1	0	0	0	113.3	Q480 M503 Q506 G507 W543	Q480-Y541 HydrophobicContact CG-CD2 4.26Å; Q480-Y541 HydrophobicContact CG-CE2 3.78Å; Q480-Y541 VanDerWaalsContact NE2-CE1 3.31Å; M503-Y541 HydrophobicContact CB-CD2 4.39Å; M503-Y541 HydrophobicContact CB-CE1 4.28Å; M503-Y541 HydrophobicContact CB-CE2 3.97Å; M503-Y541 HydrophobicContact CE-CD1 3.88Å; M503-Y541 HydrophobicContact CE-CE1 3.62Å; M503-Y541 WeakPolarHBondContact CG-O 3.32Å; M503-Y541 PolarHBondContact N-O 3.09Å; Q506-Y541 HydrophobicContact CG-CE2 4.23Å; G507-Y541 PolarHBondContact O-OH 3.34Å; Y541-W543 VanDerWaalsContact C-N 3.26Å; Y541-W543 PolarHBondContact O-N 3.09Å
542	M	94.8	Very high	95.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	10.6	176.1	-160.7	66.1	55.5	0	0	112.7	M503 Y533 L534 D535 Q538 P540 P544 Y545 C546	M503-M542 HydrophobicContact CE-CE 3.37Å; M503-M542 HydrophobicContact CE-SD 3.33Å; M503-M542 WeakPolarHBondContact CE-SD 3.46Å; M503-M542 HydrophobicContact SD-SD 4.2Å; Y533-M542 HydrophobicContact CD2-CE 4.37Å; Y533-M542 HydrophobicContact CE2-CE 4.07Å; L534-M542 HydrophobicContact CD2-SD 4.49Å; D535-M542 VanDerWaalsContact O-CB 3.24Å; D535-M542 WeakPolarHBondContact O-CB 3.32Å; D535-M542 VanDerWaalsContact O-CG 3.26Å; D535-M542 WeakPolarHBondContact O-CG 3.48Å; Q538-M542 VanDerWaalsContact O-CB 3.23Å; Q538-M542 WeakPolarHBondContact O-CB 3.41Å; Q538-M542 PolarHBondContact O-N 3.11Å; P540-M542 VanDerWaalsContact C-N 3.34Å; P540-M542 PolarHBondContact O-N 2.85Å; M542-P544 CarbonylContact O-C 2.81Å; M542-Y545 HydrophobicContact CG-CD2 4.25Å; M542-Y545 PolarHBondContact O-N 3.45Å; M542-Y545 HydrophobicContact SD-CD2 4.23Å; M542-C546 HydrophobicContact CB-CB 4.19Å; M542-C546 PolarHBondContact O-N 3.33Å
543	W	94.5	Very high	95.1	Very high	38 Å²	38	22.4 Å²	22.4	14%	0.144	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	134.8	171.9	-177.3	96.5	0	0	0	108.6	F349 Y390 F504 P540 Y541 L711 Y714	F349-W543 HydrophobicContact CD1-CH2 4.36Å; F349-W543 AromaticContact CD1-CZ3 3.94Å; F349-W543 HydrophobicContact CD1-CZ3 3.94Å; F349-W543 HydrophobicContact CE1-CE3 4.2Å; F349-W543 HydrophobicContact CE1-CH2 4.07Å; F349-W543 AromaticContact CE1-CZ3 3.34Å; F349-W543 HydrophobicContact CE1-CZ3 3.34Å; F349-W543 HydrophobicContact CZ-CE3 4.41Å; F349-W543 HydrophobicContact CZ-CH2 4.23Å; F349-W543 AromaticContact CZ-CZ3 3.69Å; F349-W543 HydrophobicContact CZ-CZ3 3.69Å; Y390-W543 HydrophobicContact CD1-CZ3 4.49Å; Y390-W543 HydrophobicContact CE1-CE3 4.11Å; Y390-W543 AromaticContact CE1-CH2 3.64Å; Y390-W543 HydrophobicContact CE1-CH2 3.64Å; Y390-W543 HydrophobicContact CE1-CZ2 4.48Å; Y390-W543 AromaticContact CE1-CZ3 3.38Å; Y390-W543 HydrophobicContact CE1-CZ3 3.38Å; Y390-W543 AromaticContact CZ-CH2 3.58Å; Y390-W543 AromaticContact CZ-CZ3 3.72Å; Y390-W543 WeakPolarHBondContact OH-CH2 2.92Å; Y390-W543 WeakPolarHBondContact OH-CZ2 3.14Å; Y390-W543 WeakPolarHBondContact OH-CZ3 3.1Å; F504-W543 WeakPolarHBondContact CD2-O 3.21Å; P540-W543 WeakPolarHBondContact O-CB 3.48Å; P540-W543 PolarHBondContact O-N 2.87Å; Y541-W543 VanDerWaalsContact C-N 3.26Å; Y541-W543 PolarHBondContact O-N 3.09Å; W543-L711 HydrophobicContact CH2-CD1 3.26Å; W543-L711 HydrophobicContact CH2-CD2 4.31Å; W543-L711 HydrophobicContact CH2-CG 4.42Å; W543-L711 HydrophobicContact CZ2-CD1 3.16Å; W543-Y714 HydrophobicContact CZ2-CD1 4.44Å; W543-Y714 HydrophobicContact CZ2-CE1 4.47Å
544	P	92.9	Very high	95	Very high	7 Å²	7	23 Å²	23	5%	0.045	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83	-15.6	10.4	39.4	-48	0	0	0	116.7	Y390 M542 C546 S547	Y390-P544 HydrophobicContact CD1-CB 4.48Å; Y390-P544 HydrophobicContact CD1-CG 3.81Å; Y390-P544 HydrophobicContact CD2-CB 3.81Å; Y390-P544 HydrophobicContact CD2-CG 3.23Å; Y390-P544 HydrophobicContact CE1-CB 4.05Å; Y390-P544 HydrophobicContact CE1-CG 3.88Å; Y390-P544 HydrophobicContact CE2-CB 3.04Å; Y390-P544 HydrophobicContact CE2-CG 3.05Å; Y390-P544 HydrophobicContact CG-CB 4.33Å; Y390-P544 HydrophobicContact CG-CG 3.45Å; Y390-P544 VanDerWaalsContact CG-CG 3.45Å; Y390-P544 VanDerWaalsContact CZ-CG 3.46Å; Y390-P544 WeakPolarHBondContact OH-CB 3.02Å; M542-P544 CarbonylContact O-C 2.81Å; P544-C546 PolarHBondContact O-N 2.81Å; P544-S547 VanDerWaalsContact O-CB 3.22Å; P544-S547 WeakPolarHBondContact O-CB 3.42Å; P544-S547 PolarHBondContact O-N 3.28Å; P544-S547 PolarHBondContact O-OG 2.85Å
545	Y	95	Very high	94.8	Very high	18 Å²	18	24.7 Å²	24.7	7%	0.071	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.3	-160.3	-51	-68.8	0	0	0	111.5	F504 M542 I557 I558 I559	F504-Y545 AromaticContact CE2-CE2 3.78Å; F504-Y545 HydrophobicContact CE2-CE2 3.78Å; F504-Y545 AromaticContact CZ-CE2 3.97Å; F504-Y545 HydrophobicContact CZ-CE2 3.97Å; M542-Y545 HydrophobicContact CG-CD2 4.25Å; M542-Y545 PolarHBondContact O-N 3.45Å; M542-Y545 HydrophobicContact SD-CD2 4.23Å; Y545-I557 HydrophobicContact CD1-CD1 4.45Å; Y545-I558 WeakPolarHBondContact CE1-O 3.26Å; Y545-I558 PolarHBondContact OH-O 2.73Å; Y545-I559 HydrophobicContact CD1-CD1 4.28Å; Y545-I559 HydrophobicContact CD1-CG1 3.87Å; Y545-I559 HydrophobicContact CD2-CD1 4.47Å; Y545-I559 HydrophobicContact CD2-CG1 4.34Å; Y545-I559 HydrophobicContact CE1-CD1 4.48Å; Y545-I559 HydrophobicContact CE1-CG1 3.61Å; Y545-I559 HydrophobicContact CE2-CG1 4.09Å; Y545-I559 HydrophobicContact CE2-CG2 4.06Å; Y545-I559 HydrophobicContact CG-CD1 4.26Å; Y545-I559 HydrophobicContact CG-CG1 4.22Å
546	C	95.5	Very high	94.6	Very high	15 Å²	15	26.9 Å²	26.9	10%	0.101	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-10.3	174.6	78.5	0	0	0	0	115	L536 C539 M542 P544 Q548	L536-C546 WeakPolarHBondContact O-CA 3.28Å; L536-C546 WeakPolarHBondContact O-CB 3.23Å; C539-C546 WeakPolarHBondContact CA-SG 3.26Å; C539-C546 HydrophobicContact CB-CB 4.17Å; C539-C546 WeakPolarHBondContact CB-SG 3.49Å; C539-C546 WeakPolarHBondContact SG-CB 3.24Å; C539-C546 PolarHBondContact SG-O 2.87Å; C539-C546 CovalentContact SG-SG 2.04Å; C539-C546 PolarHBondContact SG-SG 2.88Å; M542-C546 HydrophobicContact CB-CB 4.19Å; M542-C546 PolarHBondContact O-N 3.33Å; P544-C546 PolarHBondContact O-N 2.81Å; C546-Q548 PolarHBondContact O-N 2.93Å
547	S	94.8	Very high	94.4	Very high	26 Å²	26	28 Å²	28	18%	0.182	16%	0.163	C	C	.	.	S	Bend	trans	-67.3	-22.6	-174.1	71.8	0	0	0	0	113.2	P544 Y714 R718	P544-S547 VanDerWaalsContact O-CB 3.22Å; P544-S547 WeakPolarHBondContact O-CB 3.42Å; P544-S547 PolarHBondContact O-N 3.28Å; P544-S547 PolarHBondContact O-OG 2.85Å; S547-Y714 PolarHBondContact OG-OH 2.84Å; S547-R718 PolarHBondContact O-NE 2.56Å; S547-R718 VanDerWaalsContact O-NE 3.1Å; S547-R718 PolarHBondContact O-NH2 3.03Å
548	Q	95.4	Very high	94.2	Very high	21 Å²	21	25.9 Å²	25.9	10%	0.098	15%	0.149	C	C	.	.	S	Bend	trans	-145.4	143.4	176.2	72.6	-178.3	37.3	0	0	110.9	C546 R718 F723 I724	C546-Q548 PolarHBondContact O-N 2.93Å; Q548-R718 VanDerWaalsContact CB-CZ 3.48Å; Q548-F723 HydrophobicContact CB-CD1 4.33Å; Q548-I724 PolarHBondContact NE2-O 2.91Å; Q548-I724 VanDerWaalsContact OE1-N 3.15Å; Q548-I724 PolarHBondContact OE1-O 2.63Å
549	P	96.9	Very high	94.2	Very high	26 Å²	26	24 Å²	24	17%	0.169	14%	0.14	C	C	.	.			trans	-74.4	160.8	175.2	31.7	-35.9	0	0	0	111.9	N661 V663 F723	P549-N661 HydrophobicContact CB-CB 4.17Å; P549-V663 HydrophobicContact CB-CB 4.4Å; P549-V663 HydrophobicContact CB-CG1 3.71Å; P549-V663 HydrophobicContact CB-CG2 3.93Å; P549-V663 HydrophobicContact CG-CB 4.18Å; P549-V663 HydrophobicContact CG-CG1 3.6Å; P549-V663 HydrophobicContact CG-CG2 3.48Å; P549-V663 VanDerWaalsContact CG-CG2 3.48Å; P549-F723 HydrophobicContact CG-CE1 3.92Å; P549-F723 HydrophobicContact CG-CZ 4.47Å
550	L	97.3	Very high	94.3	Very high	5 Å²	5	21 Å²	21	3%	0.026	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-79.2	155.8	173.1	-54	-178.6	0	0	0	111.1	M554 I557 L590 L611 V613 A660 N661 I662 V663	L550-M554 VanDerWaalsContact CA-SD 3.56Å; L550-M554 HydrophobicContact CB-SD 3.85Å; L550-M554 HydrophobicContact CD2-CE 3.73Å; L550-M554 HydrophobicContact CD2-SD 3.56Å; L550-M554 VanDerWaalsContact CD2-SD 3.56Å; L550-M554 HydrophobicContact CG-SD 4.31Å; L550-I557 HydrophobicContact CD2-CD1 3.83Å; L550-I557 HydrophobicContact CD2-CG1 4.22Å; L550-I557 HydrophobicContact CD2-CG2 4.36Å; L550-L590 HydrophobicContact CD1-CD2 3.97Å; L550-L611 HydrophobicContact CD1-CB 4.49Å; L550-V613 HydrophobicContact CB-CG2 3.68Å; L550-A660 HydrophobicContact CD1-CB 3.83Å; L550-N661 PolarHBondContact N-O 2.67Å; L550-I662 HydrophobicContact CB-CG1 4.49Å; L550-I662 CarbonylContact O-C 3.53Å; L550-I662 VanDerWaalsContact O-CA 3.26Å; L550-I662 WeakPolarHBondContact O-CA 3.35Å; L550-V663 PolarHBondContact O-N 3.12Å
551	Y	96.8	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.			trans	-152.6	159.7	172.4	51.6	-90.2	0	0	0	110.6	M554 V663 P666 F723 E725	Y551-M554 HydrophobicContact CD1-SD 4.48Å; Y551-M554 HydrophobicContact CD2-CB 3.94Å; Y551-M554 HydrophobicContact CE1-CB 4.32Å; Y551-M554 HydrophobicContact CE2-CB 3.54Å; Y551-M554 HydrophobicContact CG-CB 4.47Å; Y551-M554 PolarHBondContact N-SD 3.22Å; Y551-M554 VanDerWaalsContact O-CG 3.22Å; Y551-M554 WeakPolarHBondContact O-CG 3.47Å; Y551-M554 PolarHBondContact O-N 3.12Å; Y551-V663 VanDerWaalsContact CB-O 3.28Å; Y551-V663 WeakPolarHBondContact CB-O 3.31Å; Y551-V663 HydrophobicContact CD1-CG2 4.45Å; Y551-P666 HydrophobicContact CD1-CG 3.89Å; Y551-P666 HydrophobicContact CD2-CG 4.47Å; Y551-P666 HydrophobicContact CE1-CG 3.92Å; Y551-P666 VanDerWaalsContact CG-CD 3.45Å; Y551-P666 HydrophobicContact CG-CG 4.18Å; Y551-F723 HydrophobicContact CD1-CD1 4.1Å; Y551-F723 HydrophobicContact CD1-CE1 4.22Å; Y551-F723 HydrophobicContact CE1-CB 4.16Å; Y551-F723 AromaticContact CE1-CD1 3.47Å; Y551-F723 HydrophobicContact CE1-CD1 3.47Å; Y551-F723 VanDerWaalsContact CE1-CD1 3.47Å; Y551-F723 HydrophobicContact CE1-CE1 4.04Å; Y551-F723 AromaticContact CE1-CG 3.99Å; Y551-F723 HydrophobicContact CE1-CG 3.99Å; Y551-E725 VanDerWaalsContact OH-CD 3.27Å; Y551-E725 PolarHBondContact OH-OE1 2.93Å
552	S	95.2	Very high	94.6	Very high	14 Å²	14	18.9 Å²	18.9	10%	0.098	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	142.4	176.2	-175.9	0	0	0	0	111.1	I665	S552-I665 WeakPolarHBondContact O-CG1 3.48Å
553	S	93.4	Very high	94.7	Very high	42 Å²	42	18.8 Å²	18.8	29%	0.294	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	7.1	-176.5	81.1	0	0	0	0	117.9	R671	S553-R671 PolarHBondContact O-NH2 2.73Å; S553-R671 PolarHBondContact OG-NH1 2.9Å
554	M	94.2	Very high	94.8	Very high	17 Å²	17	17.1 Å²	17.1	8%	0.084	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-77.8	158.9	170.2	75	179.3	-76.1	0	0	112.6	L550 Y551 I557 E725	L550-M554 VanDerWaalsContact CA-SD 3.56Å; L550-M554 HydrophobicContact CB-SD 3.85Å; L550-M554 HydrophobicContact CD2-CE 3.73Å; L550-M554 HydrophobicContact CD2-SD 3.56Å; L550-M554 VanDerWaalsContact CD2-SD 3.56Å; L550-M554 HydrophobicContact CG-SD 4.31Å; Y551-M554 HydrophobicContact CD1-SD 4.48Å; Y551-M554 HydrophobicContact CD2-CB 3.94Å; Y551-M554 HydrophobicContact CE1-CB 4.32Å; Y551-M554 HydrophobicContact CE2-CB 3.54Å; Y551-M554 HydrophobicContact CG-CB 4.47Å; Y551-M554 PolarHBondContact N-SD 3.22Å; Y551-M554 VanDerWaalsContact O-CG 3.22Å; Y551-M554 WeakPolarHBondContact O-CG 3.47Å; Y551-M554 PolarHBondContact O-N 3.12Å; M554-I557 HydrophobicContact CE-CG2 3.78Å; M554-E725 VanDerWaalsContact CA-OE2 3.25Å; M554-E725 WeakPolarHBondContact CA-OE2 3.42Å
555	Q	92.6	Very high	95	Very high	35 Å²	35	16.8 Å²	16.8	16%	0.164	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-60.8	139.8	165.8	-67.1	-52.5	-43.5	0	0	110.3	I557 L673 E725 Y739	Q555-I557 PolarHBondContact O-N 3.45Å; Q555-L673 HydrophobicContact CG-CD1 4.1Å; Q555-E725 HydrophobicContact CB-CB 4.35Å; Q555-E725 HydrophobicContact CG-CB 4.25Å; Q555-E725 PolarHBondContact N-OE2 3.38Å; Q555-Y739 WeakPolarHBondContact CG-OH 3.39Å; Q555-Y739 PolarHBondContact NE2-OH 2.64Å; Q555-Y739 VanDerWaalsContact NE2-OH 3.15Å
556	P	92.4	Very high	95	Very high	62 Å²	62	15.9 Å²	15.9	40%	0.403	10%	0.095	S	C	.	.	P	Polyproline II helix	trans	-58	137	174.9	-22.6	32.7	0	0	0	112	L611	P556-L611 WeakPolarHBondContact CA-O 3.33Å
557	I	92.9	Very high	94.9	Very high	33 Å²	33	15.5 Å²	15.5	17%	0.169	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143	166.5	61.3	168.2	0	0	0	109.5	L536 Y545 L550 M554 Q555 I559 Y610 L611	L536-I557 HydrophobicContact CD2-CD1 3.42Å; L536-I557 VanDerWaalsContact CD2-CD1 3.42Å; Y545-I557 HydrophobicContact CD1-CD1 4.45Å; L550-I557 HydrophobicContact CD2-CD1 3.83Å; L550-I557 HydrophobicContact CD2-CG1 4.22Å; L550-I557 HydrophobicContact CD2-CG2 4.36Å; M554-I557 HydrophobicContact CE-CG2 3.78Å; Q555-I557 PolarHBondContact O-N 3.45Å; I557-I559 HydrophobicContact CD1-CD1 4.24Å; I557-Y610 CarbonylContact O-C 2.94Å; I557-Y610 WeakPolarHBondContact O-CA 3.17Å; I557-L611 HydrophobicContact CD1-CB 4.05Å; I557-L611 HydrophobicContact CD1-CD1 4.09Å; I557-L611 HydrophobicContact CG1-CB 3.66Å; I557-L611 HydrophobicContact CG1-CD1 4.49Å; I557-L611 HydrophobicContact CG1-CG 4.43Å; I557-L611 PolarHBondContact N-O 3.02Å; I557-L611 PolarHBondContact O-N 3.18Å
558	I	92.2	Very high	94.8	Very high	18 Å²	18	16.3 Å²	16.3	9%	0.092	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.7	-178.2	-52.4	173.9	0	0	0	108.5	A388 Y545 Y610	A388-I558 HydrophobicContact CB-CD1 3.89Å; Y545-I558 WeakPolarHBondContact CE1-O 3.26Å; Y545-I558 PolarHBondContact OH-O 2.73Å; I558-Y610 HydrophobicContact CD1-CD1 4Å; I558-Y610 HydrophobicContact CD1-CE1 3.52Å; I558-Y610 HydrophobicContact CG1-CD1 3.64Å; I558-Y610 HydrophobicContact CG1-CE1 3.64Å; I558-Y610 HydrophobicContact CG1-CG 4.49Å; I558-Y610 HydrophobicContact CG2-CE1 4.19Å
559	I	94.1	Very high	94.7	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.015	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119	178.3	-53	169.3	0	0	0	108.1	L534 L536 Y545 I557 I561 A608 V609 L611	L534-I559 HydrophobicContact CD1-CB 4.47Å; L534-I559 HydrophobicContact CD1-CD1 3.86Å; L534-I559 HydrophobicContact CD1-CG2 4.33Å; L534-I559 HydrophobicContact CD2-CD1 4.3Å; L534-I559 HydrophobicContact CD2-CG2 3.71Å; L536-I559 HydrophobicContact CD1-CD1 4.24Å; Y545-I559 HydrophobicContact CD1-CD1 4.28Å; Y545-I559 HydrophobicContact CD1-CG1 3.87Å; Y545-I559 HydrophobicContact CD2-CD1 4.47Å; Y545-I559 HydrophobicContact CD2-CG1 4.34Å; Y545-I559 HydrophobicContact CE1-CD1 4.48Å; Y545-I559 HydrophobicContact CE1-CG1 3.61Å; Y545-I559 HydrophobicContact CE2-CG1 4.09Å; Y545-I559 HydrophobicContact CE2-CG2 4.06Å; Y545-I559 HydrophobicContact CG-CD1 4.26Å; Y545-I559 HydrophobicContact CG-CG1 4.22Å; I557-I559 HydrophobicContact CD1-CD1 4.24Å; I559-I561 HydrophobicContact CG2-CD1 4.23Å; I559-I561 WeakPolarHBondContact O-CD1 3.33Å; I559-A608 WeakPolarHBondContact O-CA 3.05Å; I559-V609 PolarHBondContact N-O 2.81Å; I559-V609 PolarHBondContact O-N 2.76Å; I559-L611 HydrophobicContact CD1-CD1 3.75Å
560	N	93.5	Very high	94.6	Very high	11 Å²	11	18.4 Å²	18.4	6%	0.059	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.9	179.1	-70.5	-20.2	0	0	0	110.5	R392 A608	R392-N560 HydrophobicContact CG-CB 3.54Å; N560-A608 WeakPolarHBondContact OD1-CB 3.34Å
561	I	95.7	Very high	94.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.4	175.9	-57.1	94.8	0	0	0	109	L529 P531 L534 I559 Y606 L607 V609 L656	L529-I561 HydrophobicContact CB-CG2 3.86Å; L529-I561 HydrophobicContact CD2-CG2 3.89Å; L529-I561 HydrophobicContact CG-CG2 4.34Å; P531-I561 WeakPolarHBondContact O-CG2 3.24Å; L534-I561 HydrophobicContact CD1-CD1 4.33Å; I559-I561 HydrophobicContact CG2-CD1 4.23Å; I559-I561 WeakPolarHBondContact O-CD1 3.33Å; I561-Y606 CarbonylContact O-C 3.51Å; I561-Y606 WeakPolarHBondContact O-CA 3.41Å; I561-L607 WeakPolarHBondContact CA-O 3.38Å; I561-L607 HydrophobicContact CB-CB 4.37Å; I561-L607 WeakPolarHBondContact CB-O 3.26Å; I561-L607 HydrophobicContact CD1-CD2 4.49Å; I561-L607 VanDerWaalsContact CD1-O 3.24Å; I561-L607 WeakPolarHBondContact CD1-O 3.45Å; I561-L607 PolarHBondContact N-O 2.89Å; I561-L607 PolarHBondContact O-N 2.82Å; I561-V609 HydrophobicContact CD1-CB 4.08Å; I561-V609 HydrophobicContact CD1-CG2 3.5Å; I561-V609 VanDerWaalsContact CD1-CG2 3.5Å; I561-L656 HydrophobicContact CD1-CD2 3.59Å; I561-L656 HydrophobicContact CG1-CD1 4.41Å; I561-L656 HydrophobicContact CG1-CD2 3.87Å
562	T	95.9	Very high	94.5	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.025	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.3	173.6	-51	0	0	0	0	109.5	M359 L529 M530 L564 V604	M359-T562 HydrophobicContact CE-CG2 3.26Å; M359-T562 WeakPolarHBondContact CE-OG1 3.43Å; L529-T562 CarbonylContact C-O 3.52Å; L529-T562 WeakPolarHBondContact CA-O 3.25Å; M530-T562 PolarHBondContact N-O 2.71Å; M530-T562 PolarHBondContact O-N 3.46Å; T562-L564 HydrophobicContact CG2-CD2 3.61Å; T562-L564 HydrophobicContact CG2-CG 4.37Å; T562-V604 HydrophobicContact CG2-CG1 3.45Å; T562-V604 VanDerWaalsContact CG2-CG1 3.45Å
563	I	97.6	Very high	94.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.5	174.1	-49.3	173.6	0	0	0	107.9	A527 S528 L529 I573 L600 V604 G605 L607 L637 V639 L654	A527-I563 HydrophobicContact CB-CG2 4.49Å; S528-I563 WeakPolarHBondContact O-CA 3.3Å; L529-I563 HydrophobicContact CD2-CB 4.42Å; L529-I563 HydrophobicContact CD2-CG1 3.83Å; L529-I563 HydrophobicContact CD2-CG2 4.39Å; I563-I573 HydrophobicContact CD1-CD1 3.73Å; I563-L600 HydrophobicContact CB-CD2 3.63Å; I563-L600 HydrophobicContact CD1-CD2 4.49Å; I563-L600 HydrophobicContact CG2-CD2 3.42Å; I563-L600 VanDerWaalsContact CG2-CD2 3.42Å; I563-V604 VanDerWaalsContact O-CA 3.3Å; I563-V604 WeakPolarHBondContact O-CA 3.48Å; I563-V604 WeakPolarHBondContact O-CG1 3.27Å; I563-G605 PolarHBondContact N-O 2.78Å; I563-G605 PolarHBondContact O-N 3.02Å; I563-L607 HydrophobicContact CD1-CB 4.13Å; I563-L607 HydrophobicContact CG1-CB 4.35Å; I563-L637 HydrophobicContact CD1-CD1 4.47Å; I563-L637 HydrophobicContact CD1-CD2 4.48Å; I563-V639 HydrophobicContact CG2-CG2 4.06Å; I563-L654 HydrophobicContact CG2-CD1 3.96Å
564	L	97.3	Very high	94.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.2	179.4	-53	175.2	0	0	0	108.3	I468 Q472 I475 A527 S528 M530 T562 V604	I468-L564 HydrophobicContact CD1-CB 3.67Å; I468-L564 HydrophobicContact CD1-CD2 3.5Å; I468-L564 VanDerWaalsContact CD1-CD2 3.5Å; I468-L564 HydrophobicContact CD1-CG 4.06Å; I468-L564 HydrophobicContact CG1-CB 3.81Å; Q472-L564 HydrophobicContact CG-CB 3.88Å; Q472-L564 HydrophobicContact CG-CD1 4.04Å; Q472-L564 PolarHBondContact NE2-O 2.91Å; I475-L564 HydrophobicContact CD1-CD1 3.58Å; A527-L564 CarbonylContact C-O 3.53Å; A527-L564 WeakPolarHBondContact CA-O 3.28Å; S528-L564 PolarHBondContact N-O 2.98Å; S528-L564 PolarHBondContact O-N 2.79Å; M530-L564 HydrophobicContact CB-CD1 4.45Å; T562-L564 HydrophobicContact CG2-CD2 3.61Å; T562-L564 HydrophobicContact CG2-CG 4.37Å; L564-V604 HydrophobicContact CD2-CG1 4.32Å; L564-V604 HydrophobicContact CD2-CG2 4.26Å
565	N	96.1	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.2	-176	174	40	0	0	0	113	I468 M567 D568 L600 W603 S641	I468-N565 VanDerWaalsContact CG2-O 3.27Å; I468-N565 WeakPolarHBondContact CG2-O 3.28Å; N565-M567 WeakPolarHBondContact OD1-CB 3.5Å; N565-M567 WeakPolarHBondContact OD1-CE 3.45Å; N565-M567 PolarHBondContact OD1-N 2.98Å; N565-D568 PolarHBondContact ND2-O 2.94Å; N565-L600 HydrophobicContact CB-CD2 4.2Å; N565-W603 WeakPolarHBondContact CA-O 3.46Å; N565-W603 VanDerWaalsContact CB-O 3.27Å; N565-W603 WeakPolarHBondContact CB-O 3.31Å; N565-W603 PolarHBondContact N-O 3.4Å; N565-S641 PolarHBondContact ND2-OG 3.09Å
566	S	94.4	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.			trans	-90.6	2.5	179.6	85	0	0	0	0	115.4	N466 Q472 Q526	N466-S566 PolarHBondContact ND2-O 3.09Å; Q472-S566 VanDerWaalsContact OE1-CB 3.29Å; Q472-S566 PolarHBondContact OE1-OG 3.3Å; Q526-S566 PolarHBondContact N-OG 3.24Å; Q526-S566 PolarHBondContact O-N 3.11Å; Q526-S566 PolarHBondContact O-OG 2.75Å
567	M	93.6	Very high	95	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.03	15%	0.148	C	C	.	.	S	Bend	trans	-73	-44.5	-178.4	-63.3	-178.4	-71	0	0	111.9	P525 A527 N565 V639 L650 T652	P525-M567 HydrophobicContact CB-CG 4.17Å; A527-M567 HydrophobicContact CB-CE 4.32Å; N565-M567 WeakPolarHBondContact OD1-CB 3.5Å; N565-M567 WeakPolarHBondContact OD1-CE 3.45Å; N565-M567 PolarHBondContact OD1-N 2.98Å; M567-V639 HydrophobicContact CE-CB 4.19Å; M567-V639 HydrophobicContact CE-CG1 3.79Å; M567-L650 HydrophobicContact CB-CB 4.21Å; M567-L650 HydrophobicContact CB-CD1 4.11Å; M567-L650 HydrophobicContact CG-CB 4.09Å; M567-L650 HydrophobicContact CG-CD1 4.3Å; M567-L650 HydrophobicContact SD-CB 3.56Å; M567-L650 VanDerWaalsContact SD-CB 3.56Å; M567-T652 PolarHBondContact SD-OG1 2.79Å
568	D	92.7	Very high	95.2	Very high	43 Å²	43	29.7 Å²	29.7	23%	0.23	15%	0.152	C	C	.	.			trans	-161	167.6	174.5	-165	13.9	0	0	0	110.5	N565 V570 W603 Y642	N565-D568 PolarHBondContact ND2-O 2.94Å; D568-V570 PolarHBondContact O-N 3.26Å; D568-W603 VanDerWaalsContact O-CE3 3.26Å; D568-Y642 VanDerWaalsContact OD2-O 3.04Å
569	V	93.8	Very high	95.5	Very high	22 Å²	22	29 Å²	29	13%	0.133	15%	0.148	C	C	.	.	S	Bend	trans	-54.9	-35.4	178.8	-174.7	0	0	0	0	110.9	A333 P602 W603	A333-V569 HydrophobicContact CB-CG1 4.31Å; V569-P602 HydrophobicContact CG1-CB 4.27Å; V569-W603 VanDerWaalsContact CA-CE3 3.49Å; V569-W603 HydrophobicContact CB-CD2 4.49Å; V569-W603 HydrophobicContact CB-CH2 4.15Å; V569-W603 HydrophobicContact CB-CZ2 4.11Å; V569-W603 HydrophobicContact CB-CZ3 4.38Å; V569-W603 HydrophobicContact CG1-CZ2 4.44Å; V569-W603 HydrophobicContact CG2-CH2 3.37Å; V569-W603 HydrophobicContact CG2-CZ2 3.36Å; V569-W603 HydrophobicContact CG2-CZ3 4.03Å; V569-W603 PolarHBondContact O-N 3.16Å
570	V	95.1	Very high	95.7	Very high	70 Å²	70	29.5 Å²	29.5	42%	0.424	15%	0.15	S	C	.	.			trans	-111.1	130.2	178.1	-178	0	0	0	0	109.5	D568 L600 S641	D568-V570 PolarHBondContact O-N 3.26Å; V570-L600 WeakPolarHBondContact CA-O 3.19Å; V570-S641 PolarHBondContact O-OG 2.85Å
571	G	95.7	Very high	95.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	162.9	166.7	0	0	0	0	0	111.5	Y599 L600 E640 S641	G571-Y599 CarbonylContact O-C 3.07Å; G571-Y599 WeakPolarHBondContact O-CA 3.34Å; G571-L600 PolarHBondContact N-O 3.18Å; G571-L600 PolarHBondContact O-N 2.83Å; G571-E640 CarbonylContact C-O 3.6Å; G571-E640 WeakPolarHBondContact CA-O 3.34Å; G571-S641 VanDerWaalsContact CA-OG 3.31Å; G571-S641 WeakPolarHBondContact CA-OG 3.33Å
572	R	97	Very high	95.8	Very high	114 Å²	114	29.7 Å²	29.7	43%	0.43	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.4	175.8	-176.2	-179.1	173.7	-170.8	0.6	110.8	T574 Q598 Y599 V639 E640	R572-T574 PolarHBondContact O-N 3.27Å; R572-Q598 WeakPolarHBondContact CA-O 3.45Å; R572-Y599 HydrophobicContact CB-CD1 4.4Å; R572-Y599 HydrophobicContact CG-CD1 4.3Å; R572-Y599 HydrophobicContact CG-CE1 4.19Å; R572-V639 WeakPolarHBondContact O-CA 3.38Å; R572-E640 PolarHBondContact N-O 2.98Å; R572-E640 PolarHBondContact O-N 3.05Å
573	I	97.2	Very high	95.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.1	166.4	-62.8	-178.7	0	0	0	107.9	I563 K575 Y596 S597 Q598 L600 L637 V638 V639	I563-I573 HydrophobicContact CD1-CD1 3.73Å; I573-K575 WeakPolarHBondContact CG2-O 2.88Å; I573-Y596 HydrophobicContact CB-CD2 4.27Å; I573-Y596 HydrophobicContact CB-CE2 4.28Å; I573-Y596 HydrophobicContact CD1-CD2 3.74Å; I573-Y596 HydrophobicContact CD1-CG 4.31Å; I573-Y596 HydrophobicContact CG2-CD2 4.12Å; I573-Y596 HydrophobicContact CG2-CE2 3.94Å; I573-S597 WeakPolarHBondContact CD1-O 3.33Å; I573-Q598 PolarHBondContact N-O 2.83Å; I573-L600 HydrophobicContact CG1-CD1 4.3Å; I573-L637 HydrophobicContact CD1-CD1 4.11Å; I573-L637 HydrophobicContact CG1-CD1 4.22Å; I573-V638 WeakPolarHBondContact CA-O 3.22Å; I573-V639 HydrophobicContact CG1-CG2 4.42Å
574	T	93.6	Very high	95.4	Very high	48 Å²	48	37.8 Å²	37.8	29%	0.294	19%	0.194	S	C	.	.			trans	-75	-32.6	-169.1	57.5	0	0	0	0	113.4	R572 V638 E640	R572-T574 PolarHBondContact O-N 3.27Å; T574-V638 PolarHBondContact N-O 3.46Å; T574-E640 HydrophobicContact CG2-CB 3.49Å; T574-E640 VanDerWaalsContact CG2-CB 3.49Å; T574-E640 HydrophobicContact CG2-CG 4.37Å; T574-E640 WeakPolarHBondContact CG2-OE2 3.42Å
575	K	94.4	Very high	95.3	Very high	147 Å²	147	41 Å²	41	64%	0.639	21%	0.206	S	C	*	.	S	Bend	trans	-140.6	153.5	-179	-65.1	-178.6	-177.1	176.5	0	109.9	I573	I573-K575 WeakPolarHBondContact CG2-O 2.88Å
576	P	95.7	Very high	95.2	Very high	80 Å²	80	43.2 Å²	43.2	52%	0.519	22%	0.218	S	C	.	.			trans	-53.9	142.1	173.3	-24.2	33.5	0	0	0	112.3	Y596	P576-Y596 WeakPolarHBondContact CA-OH 2.74Å; P576-Y596 HydrophobicContact CB-CE1 4.47Å
577	P	96.6	Very high	95.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.			trans	-55.1	143.8	174	-25.1	34.1	0	0	0	112.4	T594 Y596 L607 V635 S636 L637	P577-T594 HydrophobicContact CB-CG2 4.18Å; P577-Y596 VanDerWaalsContact CD-CD1 3.42Å; P577-Y596 HydrophobicContact CG-CD1 3.71Å; P577-Y596 HydrophobicContact CG-CE1 4.01Å; P577-Y596 HydrophobicContact CG-CG 4.15Å; P577-L607 HydrophobicContact CB-CD1 4.31Å; P577-L607 HydrophobicContact CG-CD1 3.81Å; P577-V635 HydrophobicContact CB-CG1 3.75Å; P577-S636 WeakPolarHBondContact CA-O 3.18Å; P577-L637 HydrophobicContact CB-CB 4.24Å; P577-L637 HydrophobicContact CG-CB 4.2Å; P577-L637 HydrophobicContact CG-CD2 4.37Å
578	I	97.7	Very high	95.3	Very high	50 Å²	50	45.9 Å²	45.9	26%	0.256	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.3	-176.7	-49.8	-176.7	0	0	0	108.3	H580 V635 S636 S1040 L1042	I578-H580 PolarHBondContact O-CD2 3.42Å; I578-V635 CarbonylContact O-C 3.58Å; I578-V635 VanDerWaalsContact O-CA 3.31Å; I578-V635 WeakPolarHBondContact O-CA 3.39Å; I578-S636 PolarHBondContact N-O 3.45Å; I578-S636 PolarHBondContact O-N 3.15Å; I578-S1040 CarbonylContact C-O 3.36Å; I578-S1040 WeakPolarHBondContact CA-O 3.48Å; I578-S1040 WeakPolarHBondContact CG1-OG 3.34Å; I578-S1040 VanDerWaalsContact CG2-O 3.27Å; I578-S1040 WeakPolarHBondContact CG2-O 3.42Å; I578-L1042 HydrophobicContact CG2-CB 3.84Å
579	Y	97.9	Very high	95.4	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.2	171.4	176.5	-126.2	0	0	0	110.8	P581 G587 V592 Y634 V635 S1040 I1041 L1042	Y579-P581 HydrophobicContact CD1-CB 4.47Å; Y579-P581 HydrophobicContact CD1-CG 4.49Å; Y579-P581 HydrophobicContact CE1-CB 3.72Å; Y579-P581 HydrophobicContact CE1-CG 4.18Å; Y579-P581 WeakPolarHBondContact O-CD 3.43Å; Y579-G587 PolarHBondContact OH-O 2.78Å; Y579-V592 HydrophobicContact CD1-CB 4Å; Y579-V592 HydrophobicContact CD1-CG2 3.8Å; Y579-V592 HydrophobicContact CD2-CB 4.07Å; Y579-V592 HydrophobicContact CD2-CG1 4.36Å; Y579-V592 HydrophobicContact CD2-CG2 3.67Å; Y579-V592 HydrophobicContact CE1-CB 4.45Å; Y579-V592 HydrophobicContact CE1-CG2 3.75Å; Y579-V592 HydrophobicContact CE2-CG2 3.64Å; Y579-V592 HydrophobicContact CG-CB 3.81Å; Y579-V592 HydrophobicContact CG-CG1 4.38Å; Y579-V592 HydrophobicContact CG-CG2 3.76Å; Y579-Y634 WeakPolarHBondContact CD2-O 3.41Å; Y579-V635 HydrophobicContact CD2-CG2 4.14Å; Y579-S1040 PolarHBondContact N-O 3.16Å; Y579-I1041 HydrophobicContact CD1-CG1 4.45Å; Y579-I1041 WeakPolarHBondContact O-CA 3.11Å; Y579-L1042 PolarHBondContact O-N 3.49Å
580	H	97.4	Very high	95.5	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.065	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	92.7	179.3	-58.1	-98.2	0	0	0	109.6	I578 G633 Y634 S636 L1042 D1044	I578-H580 PolarHBondContact O-CD2 3.42Å; H580-G633 CarbonylContact O-C 3.47Å; H580-G633 WeakPolarHBondContact O-CA 3.28Å; H580-Y634 HydrophobicContact CB-CD1 3.79Å; H580-Y634 HydrophobicContact CB-CD2 4.05Å; H580-Y634 HydrophobicContact CB-CE1 3.42Å; H580-Y634 VanDerWaalsContact CB-CE1 3.42Å; H580-Y634 HydrophobicContact CB-CE2 3.72Å; H580-Y634 HydrophobicContact CB-CG 4.1Å; H580-Y634 AromaticContact CD2-CD2 3.76Å; H580-Y634 AromaticContact CD2-CE2 3.36Å; H580-Y634 WeakPolarHBondContact CD2-CE2 3.47Å; H580-Y634 AromaticContact CD2-CZ 3.88Å; H580-Y634 AromaticContact CG-CE2 3.51Å; H580-Y634 AromaticContact CG-CZ 3.5Å; H580-Y634 PolarHBondContact N-O 3.36Å; H580-Y634 AromaticContact NE2-CE2 3.99Å; H580-Y634 PolarHBondContact O-N 3.23Å; H580-S636 WeakPolarHBondContact NE2-CB 3.14Å; H580-S636 PolarHBondContact NE2-OG 3.02Å; H580-L1042 VanDerWaalsContact CA-O 3.28Å; H580-L1042 WeakPolarHBondContact CA-O 3.42Å; H580-L1042 PolarHBondContact ND1-O 2.66Å; H580-D1044 HydrophobicContact CB-CB 4.27Å
581	P	96.7	Very high	95.4	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.6	176.3	27.9	-32.7	0	0	0	110.8	Y579 I583 G587 I1041 D1044	Y579-P581 HydrophobicContact CD1-CB 4.47Å; Y579-P581 HydrophobicContact CD1-CG 4.49Å; Y579-P581 HydrophobicContact CE1-CB 3.72Å; Y579-P581 HydrophobicContact CE1-CG 4.18Å; Y579-P581 WeakPolarHBondContact O-CD 3.43Å; P581-I583 PolarHBondContact O-N 3.27Å; P581-G587 WeakPolarHBondContact CB-O 3.42Å; P581-I1041 HydrophobicContact CG-CG2 3.83Å; P581-D1044 PolarHBondContact O-N 3.44Å
582	Y	96.2	Very high	95.5	Very high	12 Å²	12	42.6 Å²	42.6	5%	0.047	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-79	101	166.8	-66.3	-58.1	0	0	0	109.2	N584 Y585 N586 G587 E632 Y634 D1044 P1048	Y582-N584 VanDerWaalsContact C-N 3.32Å; Y582-N584 PolarHBondContact O-N 3Å; Y582-Y585 CarbonylContact O-C 3.58Å; Y582-Y585 VanDerWaalsContact O-C 3.3Å; Y582-Y585 WeakPolarHBondContact O-CA 3.49Å; Y582-Y585 PolarHBondContact O-N 2.9Å; Y582-N586 PolarHBondContact O-N 3.34Å; Y582-G587 PolarHBondContact O-N 3.28Å; Y582-E632 WeakPolarHBondContact CB-O 3.4Å; Y582-E632 HydrophobicContact CD2-CB 4.1Å; Y582-E632 PolarHBondContact N-O 2.69Å; Y582-E632 VanDerWaalsContact N-O 3.13Å; Y582-Y634 HydrophobicContact CE1-CD1 4.2Å; Y582-Y634 AromaticContact CE1-CE1 3.87Å; Y582-Y634 HydrophobicContact CE1-CE1 3.87Å; Y582-Y634 AromaticContact CE2-CD1 3.89Å; Y582-Y634 HydrophobicContact CE2-CD1 3.89Å; Y582-Y634 HydrophobicContact CE2-CE1 4.39Å; Y582-Y634 AromaticContact CZ-CD1 3.54Å; Y582-Y634 AromaticContact CZ-CE1 3.62Å; Y582-Y634 VanDerWaalsContact OH-CD1 3.27Å; Y582-Y634 WeakPolarHBondContact OH-CD1 3.17Å; Y582-Y634 VanDerWaalsContact OH-CE1 3.31Å; Y582-Y634 WeakPolarHBondContact OH-CE1 3.43Å; Y582-D1044 HydrophobicContact CD1-CB 4.15Å; Y582-D1044 HydrophobicContact CE1-CB 4.18Å; Y582-P1048 HydrophobicContact CD2-CB 3.97Å; Y582-P1048 HydrophobicContact CD2-CG 4.4Å; Y582-P1048 HydrophobicContact CE2-CB 3.85Å
583	I	92.1	Very high	95.4	Very high	59 Å²	59	37.1 Å²	37.1	30%	0.303	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-58.4	-44.4	-172.1	-67.9	-175	0	0	0	112	P581 Y585 N586 I1043	P581-I583 PolarHBondContact O-N 3.27Å; I583-Y585 PolarHBondContact O-N 2.84Å; I583-Y585 VanDerWaalsContact O-N 3.13Å; I583-N586 PolarHBondContact O-N 3.22Å; I583-I1043 HydrophobicContact CD1-CB 4.16Å; I583-I1043 HydrophobicContact CD1-CD1 3.94Å; I583-I1043 HydrophobicContact CD1-CG1 3.93Å; I583-I1043 HydrophobicContact CD1-CG2 3.19Å; I583-I1043 HydrophobicContact CG1-CG2 3.84Å
584	N	92.6	Very high	95.3	Very high	115 Å²	115	37.3 Å²	37.3	62%	0.615	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-68.9	-7.9	-179.8	-63.8	-38.3	0	0	0	113.5	Y582	Y582-N584 VanDerWaalsContact C-N 3.32Å; Y582-N584 PolarHBondContact O-N 3Å
585	Y	95	Very high	95.3	Very high	69 Å²	69	36.4 Å²	36.4	27%	0.271	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-124.1	34.1	-179.8	-63	-100.2	0	0	0	110.5	Y582 I583 G587 A631 E632 K1047 P1048	Y582-Y585 CarbonylContact O-C 3.58Å; Y582-Y585 VanDerWaalsContact O-C 3.3Å; Y582-Y585 WeakPolarHBondContact O-CA 3.49Å; Y582-Y585 PolarHBondContact O-N 2.9Å; I583-Y585 PolarHBondContact O-N 2.84Å; I583-Y585 VanDerWaalsContact O-N 3.13Å; Y585-G587 PolarHBondContact O-N 2.93Å; Y585-A631 WeakPolarHBondContact O-CA 2.87Å; Y585-E632 PolarHBondContact O-N 2.59Å; Y585-K1047 HydrophobicContact CE2-CB 4.08Å; Y585-K1047 HydrophobicContact CE2-CG 3.94Å; Y585-K1047 WeakPolarHBondContact OH-CD 3.43Å; Y585-P1048 HydrophobicContact CD1-CG 3.6Å; Y585-P1048 HydrophobicContact CD2-CG 4.08Å; Y585-P1048 HydrophobicContact CE1-CG 3.74Å; Y585-P1048 HydrophobicContact CE2-CG 4.23Å; Y585-P1048 HydrophobicContact CG-CG 3.78Å
586	N	94.8	Very high	95.3	Very high	47 Å²	47	32.5 Å²	32.5	25%	0.251	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	15.6	174.4	-48.3	-62.8	0	0	0	115.7	Y582 I583 H588 R589 F627 V630 A631	Y582-N586 PolarHBondContact O-N 3.34Å; I583-N586 PolarHBondContact O-N 3.22Å; N586-H588 PolarHBondContact O-N 2.85Å; N586-H588 VanDerWaalsContact O-N 3.09Å; N586-R589 HydrophobicContact CB-CG 4.27Å; N586-R589 VanDerWaalsContact O-CB 3.27Å; N586-R589 WeakPolarHBondContact O-CB 3.33Å; N586-R589 WeakPolarHBondContact O-CG 3.45Å; N586-R589 PolarHBondContact O-N 3.47Å; N586-F627 HydrophobicContact CB-CE1 4.44Å; N586-F627 HydrophobicContact CB-CZ 4Å; N586-F627 WeakPolarHBondContact ND2-CZ 3.32Å; N586-V630 PolarHBondContact ND2-O 2.67Å; N586-A631 HydrophobicContact CB-CB 4.13Å; N586-A631 WeakPolarHBondContact O-CB 3.39Å
587	G	94.8	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-59.5	-25.7	-177.6	0	0	0	0	0	114.3	Y579 P581 Y582 Y585 R589 L590 E632	Y579-G587 PolarHBondContact OH-O 2.78Å; P581-G587 WeakPolarHBondContact CB-O 3.42Å; Y582-G587 PolarHBondContact O-N 3.28Å; Y585-G587 PolarHBondContact O-N 2.93Å; G587-R589 PolarHBondContact O-N 3.05Å; G587-L590 PolarHBondContact O-N 2.89Å; G587-E632 WeakPolarHBondContact CA-O 3.29Å
588	H	93.8	Very high	95.2	Very high	62 Å²	62	34 Å²	34	29%	0.287	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-65.3	-17.2	174.9	61.5	-86.4	0	0	0	113.1	N586 L590 T614 D620	N586-H588 PolarHBondContact O-N 2.85Å; N586-H588 VanDerWaalsContact O-N 3.09Å; H588-L590 VanDerWaalsContact C-N 3.32Å; H588-T614 WeakPolarHBondContact O-CG2 2.87Å; H588-T614 PolarHBondContact O-OG1 2.94Å; H588-D620 IonicContact CD2-OD1 2.96Å; H588-D620 IonicContact NE2-OD1 2.82Å; H588-D620 PolarHBondContact NE2-OD1 2.86Å
589	R	94.8	Very high	95.1	Very high	12 Å²	12	38 Å²	38	5%	0.045	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-80.1	-13	176.3	-57.7	-169	175.5	-74	-3.8	113.6	N586 G587 V613 T614 D620 I622 S624 I662	N586-R589 HydrophobicContact CB-CG 4.27Å; N586-R589 VanDerWaalsContact O-CB 3.27Å; N586-R589 WeakPolarHBondContact O-CB 3.33Å; N586-R589 WeakPolarHBondContact O-CG 3.45Å; N586-R589 PolarHBondContact O-N 3.47Å; G587-R589 PolarHBondContact O-N 3.05Å; R589-V613 WeakPolarHBondContact O-CA 3.44Å; R589-T614 WeakPolarHBondContact CA-OG1 3.45Å; R589-T614 PolarHBondContact O-N 2.83Å; R589-T614 PolarHBondContact O-OG1 3.16Å; R589-D620 IonicContact CZ-OD2 3.69Å; R589-D620 IonicContact NH1-OD2 3.61Å; R589-D620 PolarHBondContact NH1-OD2 2.04Å; R589-D620 IonicContact NH2-OD1 2.81Å; R589-D620 IonicContact NH2-OD2 3.38Å; R589-I622 PolarHBondContact NH1-O 3.38Å; R589-I622 PolarHBondContact NH2-O 2.89Å; R589-S624 PolarHBondContact NH1-OG 3.13Å; R589-S624 VanDerWaalsContact NH1-OG 3.07Å; R589-I662 HydrophobicContact CB-CD1 3.77Å
590	L	95.4	Very high	95.1	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.1	175.7	-65.8	173.7	0	0	0	110.1	L550 G587 H588 V592 A631 I658 A660 I662	L550-L590 HydrophobicContact CD1-CD2 3.97Å; G587-L590 PolarHBondContact O-N 2.89Å; H588-L590 VanDerWaalsContact C-N 3.32Å; L590-V592 HydrophobicContact CB-CG2 4.32Å; L590-A631 HydrophobicContact CD1-CB 3.71Å; L590-A631 HydrophobicContact CD2-CB 4.12Å; L590-A631 HydrophobicContact CG-CB 3.59Å; L590-I658 HydrophobicContact CD1-CG2 4.23Å; L590-A660 HydrophobicContact CD1-CB 4.32Å; L590-A660 HydrophobicContact CD2-CB 4.13Å; L590-I662 HydrophobicContact CD2-CD1 3.94Å; L590-I662 HydrophobicContact CD2-CG1 4.38Å; L590-I662 HydrophobicContact CG-CD1 4.49Å
591	H	94.6	Very high	95	Very high	46 Å²	46	44.3 Å²	44.3	21%	0.213	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119	165.4	-177.4	85.7	0	0	0	108.7	S612 T614	H591-S612 WeakPolarHBondContact CB-OG 3.34Å; H591-S612 PolarHBondContact CD2-OG 3.06Å; H591-S612 PolarHBondContact N-O 3Å; H591-S612 PolarHBondContact O-N 3.06Å; H591-T614 HydrophobicContact CB-CG2 3.94Å
592	V	96.3	Very high	94.9	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	109.5	-178.4	-174.1	0	0	0	0	109.5	Y579 L590 T594 V609 Y610 L611 V635 I658 A1039	Y579-V592 HydrophobicContact CD1-CB 4Å; Y579-V592 HydrophobicContact CD1-CG2 3.8Å; Y579-V592 HydrophobicContact CD2-CB 4.07Å; Y579-V592 HydrophobicContact CD2-CG1 4.36Å; Y579-V592 HydrophobicContact CD2-CG2 3.67Å; Y579-V592 HydrophobicContact CE1-CB 4.45Å; Y579-V592 HydrophobicContact CE1-CG2 3.75Å; Y579-V592 HydrophobicContact CE2-CG2 3.64Å; Y579-V592 HydrophobicContact CG-CB 3.81Å; Y579-V592 HydrophobicContact CG-CG1 4.38Å; Y579-V592 HydrophobicContact CG-CG2 3.76Å; L590-V592 HydrophobicContact CB-CG2 4.32Å; V592-T594 HydrophobicContact CG1-CG2 4.46Å; V592-V609 HydrophobicContact CG1-CG1 3.84Å; V592-Y610 WeakPolarHBondContact CA-O 2.94Å; V592-L611 HydrophobicContact CB-CD2 4.41Å; V592-L611 HydrophobicContact CG1-CD2 4.16Å; V592-L611 HydrophobicContact CG2-CD2 3.77Å; V592-V635 HydrophobicContact CG1-CG2 3.79Å; V592-I658 HydrophobicContact CG1-CD1 4.42Å; V592-I658 HydrophobicContact CG2-CD1 4.49Å; V592-A1039 VanDerWaalsContact O-CB 3.31Å; V592-A1039 WeakPolarHBondContact O-CB 3.39Å; V592-A1039 PolarHBondContact O-N 3.11Å
593	G	95.5	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	151.2	168	0	0	0	0	0	110.8	Y610 P1037	G593-Y610 PolarHBondContact N-O 2.75Å; G593-Y610 PolarHBondContact O-N 3.2Å; G593-P1037 WeakPolarHBondContact CA-O 3.35Å
594	T	94.9	Very high	95.1	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.3	179.2	59.2	0	0	0	0	112.5	P577 V592 L607 A608 V635 P1037 A1039	P577-T594 HydrophobicContact CB-CG2 4.18Å; V592-T594 HydrophobicContact CG1-CG2 4.46Å; T594-L607 HydrophobicContact CG2-CD1 4.25Å; T594-A608 WeakPolarHBondContact CA-O 3.44Å; T594-V635 HydrophobicContact CG2-CG1 4.48Å; T594-P1037 PolarHBondContact N-O 2.81Å; T594-A1039 HydrophobicContact CG2-CB 4.12Å
595	S	93.2	Very high	95.2	Very high	29 Å²	29	37.4 Å²	37.4	20%	0.203	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.1	164.7	-179.9	0	0	0	0	108.7	L607 A608	S595-L607 CarbonylContact O-C 3.12Å; S595-A608 PolarHBondContact N-O 2.98Å; S595-A608 PolarHBondContact O-N 2.88Å
596	Y	94.5	Very high	95.2	Very high	65 Å²	65	37.7 Å²	37.7	26%	0.255	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	155.6	-172.1	59.2	-84.8	0	0	0	112.2	I573 P576 P577 Q598 Y606	I573-Y596 HydrophobicContact CB-CD2 4.27Å; I573-Y596 HydrophobicContact CB-CE2 4.28Å; I573-Y596 HydrophobicContact CD1-CD2 3.74Å; I573-Y596 HydrophobicContact CD1-CG 4.31Å; I573-Y596 HydrophobicContact CG2-CD2 4.12Å; I573-Y596 HydrophobicContact CG2-CE2 3.94Å; P576-Y596 WeakPolarHBondContact CA-OH 2.74Å; P576-Y596 HydrophobicContact CB-CE1 4.47Å; P577-Y596 VanDerWaalsContact CD-CD1 3.42Å; P577-Y596 HydrophobicContact CG-CD1 3.71Å; P577-Y596 HydrophobicContact CG-CE1 4.01Å; P577-Y596 HydrophobicContact CG-CG 4.15Å; Y596-Q598 PolarHBondContact O-N 2.85Å; Y596-Y606 VanDerWaalsContact CA-O 3.27Å; Y596-Y606 WeakPolarHBondContact CA-O 3.07Å; Y596-Y606 WeakPolarHBondContact CB-O 3.22Å
597	S	94.5	Very high	95.3	Very high	19 Å²	19	35.4 Å²	35.4	13%	0.133	16%	0.158	C	C	.	.			trans	-76.8	117.8	169.6	57.8	0	0	0	0	110.2	I573 Y599 G605 Y606	I573-S597 WeakPolarHBondContact CD1-O 3.33Å; S597-Y599 WeakPolarHBondContact CB-O 3.42Å; S597-Y599 PolarHBondContact O-N 3Å; S597-Y599 PolarHBondContact OG-O 3.47Å; S597-G605 VanDerWaalsContact OG-CA 3.24Å; S597-G605 WeakPolarHBondContact OG-CA 3.33Å; S597-Y606 PolarHBondContact N-O 2.87Å; S597-Y606 PolarHBondContact OG-N 2.83Å; S597-Y606 PolarHBondContact OG-O 2.88Å
598	Q	95.5	Very high	95.2	Very high	94 Å²	94	35.6 Å²	35.6	44%	0.439	16%	0.159	S	C	.	.	S	Bend	trans	-61.1	-35.3	177.3	-176.1	175.9	9.2	0	0	112.5	R572 I573 Y596	R572-Q598 WeakPolarHBondContact CA-O 3.45Å; I573-Q598 PolarHBondContact N-O 2.83Å; Y596-Q598 PolarHBondContact O-N 2.85Å
599	Y	96.9	Very high	95.3	Very high	132 Å²	132	32.6 Å²	32.6	52%	0.518	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.4	176.4	-60	-80.8	0	0	0	109.7	G571 R572 S597	G571-Y599 CarbonylContact O-C 3.07Å; G571-Y599 WeakPolarHBondContact O-CA 3.34Å; R572-Y599 HydrophobicContact CB-CD1 4.4Å; R572-Y599 HydrophobicContact CG-CD1 4.3Å; R572-Y599 HydrophobicContact CG-CE1 4.19Å; S597-Y599 WeakPolarHBondContact CB-O 3.42Å; S597-Y599 PolarHBondContact O-N 3Å; S597-Y599 PolarHBondContact OG-O 3.47Å
600	L	96.8	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.2	172.3	-57.5	99.7	0	0	0	107.9	I563 N565 V570 G571 I573 V604 V639	I563-L600 HydrophobicContact CB-CD2 3.63Å; I563-L600 HydrophobicContact CD1-CD2 4.49Å; I563-L600 HydrophobicContact CG2-CD2 3.42Å; I563-L600 VanDerWaalsContact CG2-CD2 3.42Å; N565-L600 HydrophobicContact CB-CD2 4.2Å; V570-L600 WeakPolarHBondContact CA-O 3.19Å; G571-L600 PolarHBondContact N-O 3.18Å; G571-L600 PolarHBondContact O-N 2.83Å; I573-L600 HydrophobicContact CG1-CD1 4.3Å; L600-V604 CarbonylContact C-O 3.43Å; L600-V604 WeakPolarHBondContact CA-O 3.12Å; L600-V639 HydrophobicContact CD1-CG1 3.76Å
601	W	95.3	Very high	95.3	Very high	151 Å²	151	33.4 Å²	33.4	57%	0.572	15%	0.149	S	C	*	.			trans	-161.8	135.1	179.1	-177.6	81.2	0	0	0	112.7	V604	W601-V604 PolarHBondContact N-O 3.35Å
602	P	95.3	Very high	95.3	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.026	15%	0.145	C	C	.	.	S	Bend	cis	-75.2	126.6	-16.8	32.6	-32.9	0	0	0	109.4	L329 A333 D360 V569 V604	L329-P602 HydrophobicContact CB-CG 4.37Å; L329-P602 HydrophobicContact CD2-CG 4.09Å; A333-P602 HydrophobicContact CB-CB 3.93Å; D360-P602 HydrophobicContact CB-CG 4.45Å; V569-P602 HydrophobicContact CG1-CB 4.27Å; P602-V604 PolarHBondContact O-N 2.75Å
603	W	95.7	Very high	95.3	Very high	16 Å²	16	32.4 Å²	32.4	6%	0.061	15%	0.147	C	C	.	.	S	Bend	trans	62	-20.4	177.1	-40.7	98	0	0	0	117.2	S332 N466 I468 N565 D568 V569	S332-W603 PolarHBondContact O-NE1 2.64Å; N466-W603 HydrophobicContact CB-CH2 3.89Å; N466-W603 HydrophobicContact CB-CZ2 4.35Å; N466-W603 HydrophobicContact CB-CZ3 4.11Å; I468-W603 HydrophobicContact CB-CB 3.84Å; I468-W603 HydrophobicContact CB-CG 4.24Å; I468-W603 HydrophobicContact CG1-CB 4.06Å; I468-W603 HydrophobicContact CG2-CB 3.93Å; I468-W603 HydrophobicContact CG2-CD2 4.06Å; I468-W603 HydrophobicContact CG2-CE3 3.78Å; I468-W603 HydrophobicContact CG2-CG 4.15Å; N565-W603 WeakPolarHBondContact CA-O 3.46Å; N565-W603 VanDerWaalsContact CB-O 3.27Å; N565-W603 WeakPolarHBondContact CB-O 3.31Å; N565-W603 PolarHBondContact N-O 3.4Å; D568-W603 VanDerWaalsContact O-CE3 3.26Å; V569-W603 VanDerWaalsContact CA-CE3 3.49Å; V569-W603 HydrophobicContact CB-CD2 4.49Å; V569-W603 HydrophobicContact CB-CH2 4.15Å; V569-W603 HydrophobicContact CB-CZ2 4.11Å; V569-W603 HydrophobicContact CB-CZ3 4.38Å; V569-W603 HydrophobicContact CG1-CZ2 4.44Å; V569-W603 HydrophobicContact CG2-CH2 3.37Å; V569-W603 HydrophobicContact CG2-CZ2 3.36Å; V569-W603 HydrophobicContact CG2-CZ3 4.03Å; V569-W603 PolarHBondContact O-N 3.16Å
604	V	96.7	Very high	95.1	Very high	14 Å²	14	33.8 Å²	33.8	9%	0.085	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.7	-166.5	-172.1	0	0	0	0	110.4	M359 D360 I468 T562 I563 L564 L600 W601 P602	M359-V604 HydrophobicContact CB-CB 4.4Å; M359-V604 HydrophobicContact CB-CG1 3.73Å; D360-V604 HydrophobicContact CB-CG2 4.31Å; I468-V604 HydrophobicContact CD1-CG2 3.72Å; T562-V604 HydrophobicContact CG2-CG1 3.45Å; T562-V604 VanDerWaalsContact CG2-CG1 3.45Å; I563-V604 VanDerWaalsContact O-CA 3.3Å; I563-V604 WeakPolarHBondContact O-CA 3.48Å; I563-V604 WeakPolarHBondContact O-CG1 3.27Å; L564-V604 HydrophobicContact CD2-CG1 4.32Å; L564-V604 HydrophobicContact CD2-CG2 4.26Å; L600-V604 CarbonylContact C-O 3.43Å; L600-V604 WeakPolarHBondContact CA-O 3.12Å; W601-V604 PolarHBondContact N-O 3.35Å; P602-V604 PolarHBondContact O-N 2.75Å
605	G	95.6	Very high	94.8	Very high	10 Å²	10	38.3 Å²	38.3	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	-172.6	174.2	0	0	0	0	0	110.1	I563 S597	I563-G605 PolarHBondContact N-O 2.78Å; I563-G605 PolarHBondContact O-N 3.02Å; S597-G605 VanDerWaalsContact OG-CA 3.24Å; S597-G605 WeakPolarHBondContact OG-CA 3.33Å
606	Y	95	Very high	94.7	Very high	75 Å²	75	40.7 Å²	40.7	29%	0.294	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.9	178.8	75.5	-90.5	0	0	0	112.9	I561 Y596 S597 A608	I561-Y606 CarbonylContact O-C 3.51Å; I561-Y606 WeakPolarHBondContact O-CA 3.41Å; Y596-Y606 VanDerWaalsContact CA-O 3.27Å; Y596-Y606 WeakPolarHBondContact CA-O 3.07Å; Y596-Y606 WeakPolarHBondContact CB-O 3.22Å; S597-Y606 PolarHBondContact N-O 2.87Å; S597-Y606 PolarHBondContact OG-N 2.83Å; S597-Y606 PolarHBondContact OG-O 2.88Å; Y606-A608 HydrophobicContact CD2-CB 4.4Å; Y606-A608 HydrophobicContact CE2-CB 4.49Å
607	L	95.3	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110.8	165.2	171.6	71.4	0	0	0	107.6	I561 I563 P577 T594 S595 V609 V635 L637 L656	I561-L607 WeakPolarHBondContact CA-O 3.38Å; I561-L607 HydrophobicContact CB-CB 4.37Å; I561-L607 WeakPolarHBondContact CB-O 3.26Å; I561-L607 HydrophobicContact CD1-CD2 4.49Å; I561-L607 VanDerWaalsContact CD1-O 3.24Å; I561-L607 WeakPolarHBondContact CD1-O 3.45Å; I561-L607 PolarHBondContact N-O 2.89Å; I561-L607 PolarHBondContact O-N 2.82Å; I563-L607 HydrophobicContact CD1-CB 4.13Å; I563-L607 HydrophobicContact CG1-CB 4.35Å; P577-L607 HydrophobicContact CB-CD1 4.31Å; P577-L607 HydrophobicContact CG-CD1 3.81Å; T594-L607 HydrophobicContact CG2-CD1 4.25Å; S595-L607 CarbonylContact O-C 3.12Å; L607-V609 HydrophobicContact CD2-CG2 4.05Å; L607-V609 HydrophobicContact CG-CG2 3.99Å; L607-V635 HydrophobicContact CD2-CG1 4.36Å; L607-L637 HydrophobicContact CB-CD2 4.5Å; L607-L637 HydrophobicContact CD1-CD2 4.24Å; L607-L637 HydrophobicContact CD2-CD2 3.69Å; L607-L637 HydrophobicContact CG-CD2 4.36Å; L607-L656 HydrophobicContact CD2-CD2 4Å
608	A	94.1	Very high	93.9	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.2	169.6	0	0	0	0	0	109.6	I559 N560 T594 S595 Y606 Y610	I559-A608 WeakPolarHBondContact O-CA 3.05Å; N560-A608 WeakPolarHBondContact OD1-CB 3.34Å; T594-A608 WeakPolarHBondContact CA-O 3.44Å; S595-A608 PolarHBondContact N-O 2.98Å; S595-A608 PolarHBondContact O-N 2.88Å; Y606-A608 HydrophobicContact CD2-CB 4.4Å; Y606-A608 HydrophobicContact CE2-CB 4.49Å; A608-Y610 HydrophobicContact CB-CE2 3.97Å
609	V	95.1	Very high	93.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.9	178.3	179.5	0	0	0	0	108.9	L534 I559 I561 V592 L607 L611 L656 I658	L534-V609 HydrophobicContact CD1-CG1 4.48Å; I559-V609 PolarHBondContact N-O 2.81Å; I559-V609 PolarHBondContact O-N 2.76Å; I561-V609 HydrophobicContact CD1-CB 4.08Å; I561-V609 HydrophobicContact CD1-CG2 3.5Å; I561-V609 VanDerWaalsContact CD1-CG2 3.5Å; V592-V609 HydrophobicContact CG1-CG1 3.84Å; L607-V609 HydrophobicContact CD2-CG2 4.05Å; L607-V609 HydrophobicContact CG-CG2 3.99Å; V609-L611 HydrophobicContact CG1-CD2 3.54Å; V609-L611 HydrophobicContact CG1-CG 3.9Å; V609-L656 HydrophobicContact CG2-CD2 3.91Å; V609-I658 HydrophobicContact CG1-CD1 4.3Å
610	Y	94.6	Very high	92.9	Very high	33 Å²	33	44.8 Å²	44.8	13%	0.129	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.8	177	-63.5	-106.5	0	0	0	107.6	I557 I558 V592 G593 A608 Y1034 A1036	I557-Y610 CarbonylContact O-C 2.94Å; I557-Y610 WeakPolarHBondContact O-CA 3.17Å; I558-Y610 HydrophobicContact CD1-CD1 4Å; I558-Y610 HydrophobicContact CD1-CE1 3.52Å; I558-Y610 HydrophobicContact CG1-CD1 3.64Å; I558-Y610 HydrophobicContact CG1-CE1 3.64Å; I558-Y610 HydrophobicContact CG1-CG 4.49Å; I558-Y610 HydrophobicContact CG2-CE1 4.19Å; V592-Y610 WeakPolarHBondContact CA-O 2.94Å; G593-Y610 PolarHBondContact N-O 2.75Å; G593-Y610 PolarHBondContact O-N 3.2Å; A608-Y610 HydrophobicContact CB-CE2 3.97Å; Y610-Y1034 HydrophobicContact CE1-CD1 4.06Å; Y610-Y1034 AromaticContact CE1-CE1 3.69Å; Y610-Y1034 HydrophobicContact CE1-CE1 3.69Å; Y610-Y1034 HydrophobicContact CE2-CE1 4.26Å; Y610-Y1034 AromaticContact CZ-CE1 3.53Å; Y610-Y1034 WeakPolarHBondContact OH-CE1 3.39Å; Y610-A1036 HydrophobicContact CD1-CB 3.68Å; Y610-A1036 HydrophobicContact CD2-CB 3.37Å; Y610-A1036 HydrophobicContact CE1-CB 4.08Å; Y610-A1036 HydrophobicContact CE2-CB 3.83Å; Y610-A1036 HydrophobicContact CG-CB 3.32Å
611	L	95.1	Very high	92.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.4	179.6	-56	176.2	0	0	0	110.4	L536 L550 P556 I557 I559 V592 V609 I658	L536-L611 HydrophobicContact CD1-CD1 4.36Å; L536-L611 HydrophobicContact CD2-CD1 4.04Å; L550-L611 HydrophobicContact CD1-CB 4.49Å; P556-L611 WeakPolarHBondContact CA-O 3.33Å; I557-L611 HydrophobicContact CD1-CB 4.05Å; I557-L611 HydrophobicContact CD1-CD1 4.09Å; I557-L611 HydrophobicContact CG1-CB 3.66Å; I557-L611 HydrophobicContact CG1-CD1 4.49Å; I557-L611 HydrophobicContact CG1-CG 4.43Å; I557-L611 PolarHBondContact N-O 3.02Å; I557-L611 PolarHBondContact O-N 3.18Å; I559-L611 HydrophobicContact CD1-CD1 3.75Å; V592-L611 HydrophobicContact CB-CD2 4.41Å; V592-L611 HydrophobicContact CG1-CD2 4.16Å; V592-L611 HydrophobicContact CG2-CD2 3.77Å; V609-L611 HydrophobicContact CG1-CD2 3.54Å; V609-L611 HydrophobicContact CG1-CG 3.9Å; L611-I658 HydrophobicContact CD1-CG2 4.13Å; L611-I658 HydrophobicContact CD2-CD1 4.16Å; L611-I658 HydrophobicContact CD2-CG2 4.32Å
612	S	94.8	Very high	92.4	Very high	19 Å²	19	49.3 Å²	49.3	13%	0.133	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	171.7	167.5	59.3	0	0	0	0	109.9	H591	H591-S612 WeakPolarHBondContact CB-OG 3.34Å; H591-S612 PolarHBondContact CD2-OG 3.06Å; H591-S612 PolarHBondContact N-O 3Å; H591-S612 PolarHBondContact O-N 3.06Å
613	V	96.2	Very high	92.4	Very high	10 Å²	10	50.1 Å²	50.1	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136	176	178.9	0	0	0	0	108.8	L550 R589 I662	L550-V613 HydrophobicContact CB-CG2 3.68Å; R589-V613 WeakPolarHBondContact O-CA 3.44Å; V613-I662 HydrophobicContact CG1-CD1 4.38Å; V613-I662 HydrophobicContact CG1-CG2 4.21Å; V613-I662 HydrophobicContact CG2-CD1 4.15Å; V613-I662 HydrophobicContact CG2-CG1 4.12Å; V613-I662 HydrophobicContact CG2-CG2 4.05Å
614	T	92.7	Very high	92.3	Very high	28 Å²	28	49.4 Å²	49.4	17%	0.172	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62.4	145.1	177.2	53.1	0	0	0	0	110.9	H588 R589 H591 S624	H588-T614 WeakPolarHBondContact O-CG2 2.87Å; H588-T614 PolarHBondContact O-OG1 2.94Å; R589-T614 WeakPolarHBondContact CA-OG1 3.45Å; R589-T614 PolarHBondContact O-N 2.83Å; R589-T614 PolarHBondContact O-OG1 3.16Å; H591-T614 HydrophobicContact CB-CG2 3.94Å; T614-S624 VanDerWaalsContact O-CB 3.23Å; T614-S624 WeakPolarHBondContact O-CB 3.28Å; T614-S624 PolarHBondContact O-OG 3.23Å
615	P	88.9	Confident	92.2	Very high	102 Å²	102	49.8 Å²	49.8	66%	0.662	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-56.8	161.9	168.7	-22.9	33.6	0	0	0	112	S617	P615-S617 PolarHBondContact O-N 2.87Å
616	D	89.8	Confident	92.2	Very high	80 Å²	80	57 Å²	57	43%	0.428	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-59.6	125.5	-178.6	-66.1	-13.3	0	0	0	111.4	P623 S624 S625	D616-P623 HydrophobicContact CB-CB 3.82Å; D616-P623 VanDerWaalsContact CG-CB 3.4Å; D616-S624 PolarHBondContact OD1-N 3.39Å; D616-S624 VanDerWaalsContact OD1-N 3.13Å; D616-S625 VanDerWaalsContact CG-OG 3.29Å; D616-S625 WeakPolarHBondContact OD1-CB 3.46Å; D616-S625 PolarHBondContact OD1-N 3.03Å; D616-S625 PolarHBondContact OD1-OG 2.66Å; D616-S625 VanDerWaalsContact OD2-CB 3.29Å; D616-S625 WeakPolarHBondContact OD2-CB 3.36Å; D616-S625 PolarHBondContact OD2-OG 3.39Å
617	S	87.9	Confident	92.2	Very high	49 Å²	49	54.3 Å²	54.3	34%	0.343	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-100.4	146.3	175.4	-178.7	0	0	0	0	110.8	P615 D619 D620	P615-S617 PolarHBondContact O-N 2.87Å; S617-D619 PolarHBondContact O-N 2.74Å; S617-D619 PolarHBondContact OG-N 2.83Å; S617-D620 PolarHBondContact O-N 3.05Å
618	I	84.9	Confident	92.3	Very high	171 Å²	171	58.2 Å²	58.2	88%	0.877	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.4	174.5	-61.1	166.6	0	0	0	110.9	D620	I618-D620 VanDerWaalsContact C-N 3.25Å; I618-D620 PolarHBondContact O-N 3.02Å
619	D	84.8	Confident	92.4	Very high	148 Å²	148	59.1 Å²	59.1	79%	0.791	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.5	-177.6	-58.9	-38.7	0	0	0	113	S617	S617-D619 PolarHBondContact O-N 2.74Å; S617-D619 PolarHBondContact OG-N 2.83Å
620	D	87	Confident	92.5	Very high	28 Å²	28	61.7 Å²	61.7	15%	0.15	34%	0.339	C	S	.	.			trans	-87.5	123.3	-178.3	-70.5	-18.3	0	0	0	111.4	H588 R589 S617 I618 I622	H588-D620 IonicContact CD2-OD1 2.96Å; H588-D620 IonicContact NE2-OD1 2.82Å; H588-D620 PolarHBondContact NE2-OD1 2.86Å; R589-D620 IonicContact CZ-OD2 3.69Å; R589-D620 IonicContact NH1-OD2 3.61Å; R589-D620 PolarHBondContact NH1-OD2 2.04Å; R589-D620 IonicContact NH2-OD1 2.81Å; R589-D620 IonicContact NH2-OD2 3.38Å; S617-D620 PolarHBondContact O-N 3.05Å; I618-D620 VanDerWaalsContact C-N 3.25Å; I618-D620 PolarHBondContact O-N 3.02Å; D620-I622 WeakPolarHBondContact CB-O 2.89Å; D620-I622 PolarHBondContact O-N 3.19Å
621	I	89	Confident	92.6	Very high	170 Å²	170	60.1 Å²	60.1	87%	0.872	33%	0.332	S	S	*	.	S	Bend	trans	-54.7	-39.3	175	-59.9	171.8	0	0	0	111.4
622	I	92.5	Very high	92.7	Very high	76 Å²	76	60.9 Å²	60.9	39%	0.39	34%	0.336	S	S	.	.	S	Bend	trans	-118.1	120.6	173.2	-58.3	174.1	0	0	0	106.8	R589 D620 R626 F627	R589-I622 PolarHBondContact NH1-O 3.38Å; R589-I622 PolarHBondContact NH2-O 2.89Å; D620-I622 WeakPolarHBondContact CB-O 2.89Å; D620-I622 PolarHBondContact O-N 3.19Å; I622-R626 HydrophobicContact CG2-CB 4.11Å; I622-F627 HydrophobicContact CG2-CB 4.34Å
623	P	94.2	Very high	92.8	Very high	21 Å²	21	60 Å²	60	14%	0.136	33%	0.33	C	S	.	.			trans	-62.8	148.9	177.1	25.6	-33	0	0	0	110.8	D616 S625 R626 F627	D616-P623 HydrophobicContact CB-CB 3.82Å; D616-P623 VanDerWaalsContact CG-CB 3.4Å; P623-S625 PolarHBondContact O-N 3.39Å; P623-S625 VanDerWaalsContact O-N 3.09Å; P623-R626 HydrophobicContact CG-CB 4.22Å; P623-R626 HydrophobicContact CG-CG 4.33Å; P623-R626 CarbonylContact O-C 3.54Å; P623-R626 PolarHBondContact O-N 2.85Å; P623-F627 PolarHBondContact O-N 2.94Å
624	S	93.4	Very high	92.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-54.3	-30.5	179.8	-69	0	0	0	0	113.2	R589 T614 D616 R626 F627	R589-S624 PolarHBondContact NH1-OG 3.13Å; R589-S624 VanDerWaalsContact NH1-OG 3.07Å; T614-S624 VanDerWaalsContact O-CB 3.23Å; T614-S624 WeakPolarHBondContact O-CB 3.28Å; T614-S624 PolarHBondContact O-OG 3.23Å; D616-S624 PolarHBondContact OD1-N 3.39Å; D616-S624 VanDerWaalsContact OD1-N 3.13Å; S624-R626 VanDerWaalsContact C-N 3.27Å; S624-R626 PolarHBondContact O-N 3.5Å; S624-F627 PolarHBondContact O-N 3.3Å
625	S	94.7	Very high	93.1	Very high	22 Å²	22	59 Å²	59	15%	0.154	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-63.1	-25.4	174.3	60.2	0	0	0	0	115	D616 P623 P664 I665	D616-S625 VanDerWaalsContact CG-OG 3.29Å; D616-S625 WeakPolarHBondContact OD1-CB 3.46Å; D616-S625 PolarHBondContact OD1-N 3.03Å; D616-S625 PolarHBondContact OD1-OG 2.66Å; D616-S625 VanDerWaalsContact OD2-CB 3.29Å; D616-S625 WeakPolarHBondContact OD2-CB 3.36Å; D616-S625 PolarHBondContact OD2-OG 3.39Å; P623-S625 PolarHBondContact O-N 3.39Å; P623-S625 VanDerWaalsContact O-N 3.09Å; S625-P664 WeakPolarHBondContact O-CA 3.29Å; S625-I665 PolarHBondContact O-N 3.29Å
626	R	95.5	Very high	93.5	Very high	162 Å²	162	55.3 Å²	55.3	61%	0.611	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-114.8	2.5	179.3	-64.9	-170.5	-72.3	114.8	-6.3	113.1	I622 P623 S624	I622-R626 HydrophobicContact CG2-CB 4.11Å; P623-R626 HydrophobicContact CG-CB 4.22Å; P623-R626 HydrophobicContact CG-CG 4.33Å; P623-R626 CarbonylContact O-C 3.54Å; P623-R626 PolarHBondContact O-N 2.85Å; S624-R626 VanDerWaalsContact C-N 3.27Å; S624-R626 PolarHBondContact O-N 3.5Å
627	F	96.3	Very high	93.8	Very high	18 Å²	18	51.8 Å²	51.8	8%	0.079	28%	0.28	C	S	.	.			trans	-76.2	143	-177.9	176.3	-102.2	0	0	0	111.2	N586 I622 P623 S624 I662 V663 P664	N586-F627 HydrophobicContact CB-CE1 4.44Å; N586-F627 HydrophobicContact CB-CZ 4Å; N586-F627 WeakPolarHBondContact ND2-CZ 3.32Å; I622-F627 HydrophobicContact CG2-CB 4.34Å; P623-F627 PolarHBondContact O-N 2.94Å; S624-F627 PolarHBondContact O-N 3.3Å; F627-I662 HydrophobicContact CD1-CB 3.84Å; F627-I662 HydrophobicContact CD1-CD1 4.45Å; F627-I662 HydrophobicContact CD1-CG2 3.8Å; F627-I662 HydrophobicContact CE1-CB 4Å; F627-I662 HydrophobicContact CE1-CD1 4.42Å; F627-I662 HydrophobicContact CE1-CG2 4.47Å; F627-V663 CarbonylContact O-C 3.52Å; F627-V663 WeakPolarHBondContact O-CA 3.45Å; F627-P664 VanDerWaalsContact O-CD 3.24Å; F627-P664 WeakPolarHBondContact O-CD 3.45Å
628	S	97.3	Very high	94.2	Very high	83 Å²	83	51.5 Å²	51.5	58%	0.58	28%	0.276	S	S	*	.			trans	-134.4	123.8	169.2	-169.8	0	0	0	0	109.1	I662	S628-I662 WeakPolarHBondContact CA-O 3.42Å
629	G	96.7	Very high	94.9	Very high	21 Å²	21	43.4 Å²	43.4	22%	0.216	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.2	-179.4	179.2	0	0	0	0	0	112.8	N661 I662	G629-N661 PolarHBondContact O-OD1 2.82Å; G629-I662 PolarHBondContact N-O 3.2Å; G629-I662 PolarHBondContact O-N 3.03Å
630	V	97	Very high	95.4	Very high	54 Å²	54	39.9 Å²	39.9	33%	0.327	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.8	179.9	-175.6	0	0	0	0	109.8	N586 E632 K659 A660	N586-V630 PolarHBondContact ND2-O 2.67Å; V630-E632 HydrophobicContact CG1-CG 4.02Å; V630-K659 HydrophobicContact CG1-CD 4.35Å; V630-K659 HydrophobicContact CG1-CG 3.6Å; V630-A660 WeakPolarHBondContact CA-O 3.32Å
631	A	96.5	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.3	172	0	0	0	0	0	110.5	Y585 N586 L590 A660 I662	Y585-A631 WeakPolarHBondContact O-CA 2.87Å; N586-A631 HydrophobicContact CB-CB 4.13Å; N586-A631 WeakPolarHBondContact O-CB 3.39Å; L590-A631 HydrophobicContact CD1-CB 3.71Å; L590-A631 HydrophobicContact CD2-CB 4.12Å; L590-A631 HydrophobicContact CG-CB 3.59Å; A631-A660 PolarHBondContact N-O 2.93Å; A631-A660 PolarHBondContact O-N 2.81Å; A631-I662 HydrophobicContact CB-CD1 3.64Å; A631-I662 HydrophobicContact CB-CG1 4.3Å
632	E	97.1	Very high	95.8	Very high	17 Å²	17	36.2 Å²	36.2	8%	0.079	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.7	-174.2	-62.7	-178.2	-110.3	0	0	112.2	Y582 Y585 G587 V630 I658 K659 P1048 Y1053	Y582-E632 WeakPolarHBondContact CB-O 3.4Å; Y582-E632 HydrophobicContact CD2-CB 4.1Å; Y582-E632 PolarHBondContact N-O 2.69Å; Y582-E632 VanDerWaalsContact N-O 3.13Å; Y585-E632 PolarHBondContact O-N 2.59Å; G587-E632 WeakPolarHBondContact CA-O 3.29Å; V630-E632 HydrophobicContact CG1-CG 4.02Å; E632-I658 WeakPolarHBondContact CA-O 3.28Å; E632-K659 HydrophobicContact CG-CB 4.22Å; E632-K659 HydrophobicContact CG-CG 4.02Å; E632-K659 WeakPolarHBondContact OE2-CE 3.44Å; E632-K659 IonicContact OE2-NZ 3.54Å; E632-P1048 HydrophobicContact CB-CG 4.49Å; E632-P1048 WeakPolarHBondContact OE2-CB 3.32Å; E632-P1048 VanDerWaalsContact OE2-CG 3.3Å; E632-P1048 WeakPolarHBondContact OE2-CG 3.5Å; E632-Y1053 PolarHBondContact OE2-OH 3.14Å
633	G	96.7	Very high	95.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	-170.1	175.8	0	0	0	0	0	110.7	H580 I658	H580-G633 CarbonylContact O-C 3.47Å; H580-G633 WeakPolarHBondContact O-CA 3.28Å; G633-I658 PolarHBondContact N-O 3.38Å; G633-I658 PolarHBondContact O-N 3.36Å; G633-I658 VanDerWaalsContact O-O 3.07Å
634	Y	97.1	Very high	94.1	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.5	171.9	63.5	-82.9	0	0	0	112.2	Y579 H580 Y582 R655 L656 D1044	Y579-Y634 WeakPolarHBondContact CD2-O 3.41Å; H580-Y634 HydrophobicContact CB-CD1 3.79Å; H580-Y634 HydrophobicContact CB-CD2 4.05Å; H580-Y634 HydrophobicContact CB-CE1 3.42Å; H580-Y634 VanDerWaalsContact CB-CE1 3.42Å; H580-Y634 HydrophobicContact CB-CE2 3.72Å; H580-Y634 HydrophobicContact CB-CG 4.1Å; H580-Y634 AromaticContact CD2-CD2 3.76Å; H580-Y634 AromaticContact CD2-CE2 3.36Å; H580-Y634 WeakPolarHBondContact CD2-CE2 3.47Å; H580-Y634 AromaticContact CD2-CZ 3.88Å; H580-Y634 AromaticContact CG-CE2 3.51Å; H580-Y634 AromaticContact CG-CZ 3.5Å; H580-Y634 PolarHBondContact N-O 3.36Å; H580-Y634 AromaticContact NE2-CE2 3.99Å; H580-Y634 PolarHBondContact O-N 3.23Å; Y582-Y634 HydrophobicContact CE1-CD1 4.2Å; Y582-Y634 AromaticContact CE1-CE1 3.87Å; Y582-Y634 HydrophobicContact CE1-CE1 3.87Å; Y582-Y634 AromaticContact CE2-CD1 3.89Å; Y582-Y634 HydrophobicContact CE2-CD1 3.89Å; Y582-Y634 HydrophobicContact CE2-CE1 4.39Å; Y582-Y634 AromaticContact CZ-CD1 3.54Å; Y582-Y634 AromaticContact CZ-CE1 3.62Å; Y582-Y634 VanDerWaalsContact OH-CD1 3.27Å; Y582-Y634 WeakPolarHBondContact OH-CD1 3.17Å; Y582-Y634 VanDerWaalsContact OH-CE1 3.31Å; Y582-Y634 WeakPolarHBondContact OH-CE1 3.43Å; Y634-R655 HydrophobicContact CD2-CB 4.28Å; Y634-R655 HydrophobicContact CD2-CG 4.13Å; Y634-R655 HydrophobicContact CE2-CG 4.24Å; Y634-L656 CarbonylContact C-O 3.41Å; Y634-L656 WeakPolarHBondContact CA-O 3.49Å; Y634-L656 WeakPolarHBondContact CB-O 3.48Å; Y634-D1044 HydrophobicContact CE1-CB 4.35Å; Y634-D1044 VanDerWaalsContact CE1-OD2 3.27Å; Y634-D1044 WeakPolarHBondContact CE1-OD2 3.4Å; Y634-D1044 PolarHBondContact OH-OD2 3.4Å
635	V	97.4	Very high	92.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.8	169.3	174.1	0	0	0	0	108.8	P577 I578 Y579 V592 T594 L607 R655 L656 I658	P577-V635 HydrophobicContact CB-CG1 3.75Å; I578-V635 CarbonylContact O-C 3.58Å; I578-V635 VanDerWaalsContact O-CA 3.31Å; I578-V635 WeakPolarHBondContact O-CA 3.39Å; Y579-V635 HydrophobicContact CD2-CG2 4.14Å; V592-V635 HydrophobicContact CG1-CG2 3.79Å; T594-V635 HydrophobicContact CG2-CG1 4.48Å; L607-V635 HydrophobicContact CD2-CG1 4.36Å; V635-R655 CarbonylContact O-C 3.53Å; V635-R655 WeakPolarHBondContact O-CA 3.43Å; V635-L656 HydrophobicContact CB-CB 4.36Å; V635-L656 PolarHBondContact N-O 3.48Å; V635-L656 PolarHBondContact O-N 3.24Å; V635-I658 HydrophobicContact CG2-CD1 3.79Å
636	S	96.9	Very high	91.6	Very high	25 Å²	25	41.3 Å²	41.3	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.5	173.5	75.8	0	0	0	0	111.4	P577 I578 H580 L654	P577-S636 WeakPolarHBondContact CA-O 3.18Å; I578-S636 PolarHBondContact N-O 3.45Å; I578-S636 PolarHBondContact O-N 3.15Å; H580-S636 WeakPolarHBondContact NE2-CB 3.14Å; H580-S636 PolarHBondContact NE2-OG 3.02Å; S636-L654 VanDerWaalsContact CA-O 3.25Å; S636-L654 WeakPolarHBondContact CA-O 3.35Å
637	L	96.4	Very high	90.8	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	159	170.5	69.4	96.1	0	0	0	110.8	I563 I573 P577 L607 V639 L654	I563-L637 HydrophobicContact CD1-CD1 4.47Å; I563-L637 HydrophobicContact CD1-CD2 4.48Å; I573-L637 HydrophobicContact CD1-CD1 4.11Å; I573-L637 HydrophobicContact CG1-CD1 4.22Å; P577-L637 HydrophobicContact CB-CB 4.24Å; P577-L637 HydrophobicContact CG-CB 4.2Å; P577-L637 HydrophobicContact CG-CD2 4.37Å; L607-L637 HydrophobicContact CB-CD2 4.5Å; L607-L637 HydrophobicContact CD1-CD2 4.24Å; L607-L637 HydrophobicContact CD2-CD2 3.69Å; L607-L637 HydrophobicContact CG-CD2 4.36Å; L637-V639 HydrophobicContact CD1-CG2 3.61Å; L637-L654 HydrophobicContact CD1-CB 4.36Å; L637-L654 HydrophobicContact CD1-CD1 3.88Å; L637-L654 HydrophobicContact CG-CB 4.17Å; L637-L654 HydrophobicContact CG-CD1 4.45Å; L637-L654 PolarHBondContact N-O 3.24Å; L637-L654 PolarHBondContact O-N 2.89Å
638	V	97.7	Very high	90.2	Very high	43 Å²	43	41.3 Å²	41.3	26%	0.261	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118	-179.1	-174.2	0	0	0	0	109.2	I573 T574 N651 T652 N653	I573-V638 WeakPolarHBondContact CA-O 3.22Å; T574-V638 PolarHBondContact N-O 3.46Å; V638-N651 HydrophobicContact CG1-CB 4.24Å; V638-T652 WeakPolarHBondContact CA-O 3.46Å; V638-N653 WeakPolarHBondContact CG1-OD1 3.33Å; V638-N653 WeakPolarHBondContact CG2-OD1 3.31Å
639	V	97.8	Very high	89.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.5	170.2	-177.3	0	0	0	0	108.2	A527 I563 M567 R572 I573 L600 L637 N651 T652 L654	A527-V639 HydrophobicContact CB-CB 3.84Å; A527-V639 HydrophobicContact CB-CG1 4.12Å; A527-V639 HydrophobicContact CB-CG2 3.9Å; I563-V639 HydrophobicContact CG2-CG2 4.06Å; M567-V639 HydrophobicContact CE-CB 4.19Å; M567-V639 HydrophobicContact CE-CG1 3.79Å; R572-V639 WeakPolarHBondContact O-CA 3.38Å; I573-V639 HydrophobicContact CG1-CG2 4.42Å; L600-V639 HydrophobicContact CD1-CG1 3.76Å; L637-V639 HydrophobicContact CD1-CG2 3.61Å; V639-N651 CarbonylContact O-C 3.3Å; V639-N651 WeakPolarHBondContact O-CA 3.13Å; V639-T652 PolarHBondContact N-O 3.34Å; V639-T652 PolarHBondContact O-N 3.09Å; V639-L654 HydrophobicContact CG2-CD1 3.78Å
640	E	96.7	Very high	89.6	Confident	75 Å²	75	39.8 Å²	39.8	35%	0.35	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.2	175.2	-174.3	-179.5	-166.5	0	0	109.6	G571 R572 T574 S649 L650	G571-E640 CarbonylContact C-O 3.6Å; G571-E640 WeakPolarHBondContact CA-O 3.34Å; R572-E640 PolarHBondContact N-O 2.98Å; R572-E640 PolarHBondContact O-N 3.05Å; T574-E640 HydrophobicContact CG2-CB 3.49Å; T574-E640 VanDerWaalsContact CG2-CB 3.49Å; T574-E640 HydrophobicContact CG2-CG 4.37Å; T574-E640 WeakPolarHBondContact CG2-OE2 3.42Å; E640-S649 VanDerWaalsContact CD-OG 3.26Å; E640-S649 WeakPolarHBondContact CG-OG 3.27Å; E640-S649 PolarHBondContact OE1-OG 3Å; E640-L650 CarbonylContact C-O 3.01Å; E640-L650 WeakPolarHBondContact CA-O 3.16Å
641	S	95.5	Very high	89.5	Confident	4 Å²	4	42.1 Å²	42.1	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.7	173.1	-81.5	0	0	0	0	109.7	N565 V570 G571 L650	N565-S641 PolarHBondContact ND2-OG 3.09Å; V570-S641 PolarHBondContact O-OG 2.85Å; G571-S641 VanDerWaalsContact CA-OG 3.31Å; G571-S641 WeakPolarHBondContact CA-OG 3.33Å; S641-L650 PolarHBondContact N-O 2.81Å; S641-L650 PolarHBondContact O-N 3.32Å; S641-L650 VanDerWaalsContact O-O 3.13Å
642	Y	88.8	Confident	89.4	Confident	116 Å²	116	42.6 Å²	42.6	46%	0.455	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	109.4	177.3	-171	-100.9	0	0	0	110.1	D568 T644 N647	D568-Y642 VanDerWaalsContact OD2-O 3.04Å; Y642-T644 HydrophobicContact CD1-CG2 3.86Å; Y642-T644 HydrophobicContact CE1-CG2 4.24Å; Y642-T644 PolarHBondContact O-N 3.49Å; Y642-N647 VanDerWaalsContact OH-CG 3.32Å; Y642-N647 PolarHBondContact OH-OD1 3.33Å
643	D	80.1	Confident	89.4	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	100.4	172.1	-174.7	-25.1	0	0	0	108.7	V645 R646 N647 L648 L650	D643-V645 PolarHBondContact O-N 3.38Å; D643-V645 VanDerWaalsContact O-N 3.16Å; D643-V645 WeakPolarHBondContact OD1-CA 3.24Å; D643-V645 WeakPolarHBondContact OD1-CB 3.36Å; D643-V645 VanDerWaalsContact OD1-CG2 3.25Å; D643-V645 WeakPolarHBondContact OD1-CG2 3.38Å; D643-V645 PolarHBondContact OD1-N 3.23Å; D643-R646 HydrophobicContact CB-CB 4.27Å; D643-R646 PolarHBondContact OD1-N 3.18Å; D643-R646 WeakPolarHBondContact OD2-CD 3.42Å; D643-R646 WeakPolarHBondContact OD2-CG 3.23Å; D643-R646 IonicContact OD2-NE 3.77Å; D643-R646 PolarHBondContact OD2-NE 3.07Å; D643-N647 VanDerWaalsContact O-CA 3.26Å; D643-N647 WeakPolarHBondContact O-CA 3.36Å; D643-N647 PolarHBondContact O-N 2.96Å; D643-L648 WeakPolarHBondContact CB-O 3.34Å; D643-L648 PolarHBondContact N-O 2.83Å; D643-L648 PolarHBondContact O-N 3Å; D643-L650 HydrophobicContact CB-CD1 3.88Å; D643-L650 HydrophobicContact CB-CG 4.13Å
644	T	69.7	Low	89.4	Confident	91 Å²	91	47.9 Å²	47.9	56%	0.558	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.1	178.6	55.1	0	0	0	0	113.8	Y642	Y642-T644 HydrophobicContact CD1-CG2 3.86Å; Y642-T644 HydrophobicContact CE1-CG2 4.24Å; Y642-T644 PolarHBondContact O-N 3.49Å
645	V	66.3	Low	89.3	Confident	76 Å²	76	53.6 Å²	53.6	46%	0.461	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-47.7	-173.8	-164.7	0	0	0	0	110.5	D643 I1095	D643-V645 PolarHBondContact O-N 3.38Å; D643-V645 VanDerWaalsContact O-N 3.16Å; D643-V645 WeakPolarHBondContact OD1-CA 3.24Å; D643-V645 WeakPolarHBondContact OD1-CB 3.36Å; D643-V645 VanDerWaalsContact OD1-CG2 3.25Å; D643-V645 WeakPolarHBondContact OD1-CG2 3.38Å; D643-V645 PolarHBondContact OD1-N 3.23Å; V645-I1095 HydrophobicContact CB-CD1 4.26Å; V645-I1095 HydrophobicContact CB-CG1 4.12Å; V645-I1095 HydrophobicContact CB-CG2 4.19Å; V645-I1095 HydrophobicContact CG1-CB 4.44Å; V645-I1095 HydrophobicContact CG1-CD1 4.24Å; V645-I1095 HydrophobicContact CG1-CG1 3.67Å; V645-I1095 HydrophobicContact CG1-CG2 4.23Å; V645-I1095 HydrophobicContact CG2-CB 3.83Å; V645-I1095 HydrophobicContact CG2-CD1 3.55Å; V645-I1095 HydrophobicContact CG2-CG1 3.53Å; V645-I1095 HydrophobicContact CG2-CG2 3.04Å
646	R	70.3	Confident	89.2	Confident	53 Å²	53	53.6 Å²	53.6	20%	0.2	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.2	175.3	-61.4	-178.1	-172.5	-176.8	-2.5	111.5	I457 D643 L648	I457-R646 HydrophobicContact CG2-CG 4.33Å; D643-R646 HydrophobicContact CB-CB 4.27Å; D643-R646 PolarHBondContact OD1-N 3.18Å; D643-R646 WeakPolarHBondContact OD2-CD 3.42Å; D643-R646 WeakPolarHBondContact OD2-CG 3.23Å; D643-R646 IonicContact OD2-NE 3.77Å; D643-R646 PolarHBondContact OD2-NE 3.07Å; R646-L648 HydrophobicContact CB-CB 4Å; R646-L648 HydrophobicContact CB-CD2 4.35Å; R646-L648 PolarHBondContact O-N 3.16Å
647	N	77.5	Confident	89.3	Confident	120 Å²	120	52.7 Å²	52.7	64%	0.642	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	46.1	-176	-162.7	61.7	0	0	0	111.1	Y642 D643	Y642-N647 VanDerWaalsContact OH-CG 3.32Å; Y642-N647 PolarHBondContact OH-OD1 3.33Å; D643-N647 VanDerWaalsContact O-CA 3.26Å; D643-N647 WeakPolarHBondContact O-CA 3.36Å; D643-N647 PolarHBondContact O-N 2.96Å
648	L	85.3	Confident	89.3	Confident	60 Å²	60	52.3 Å²	52.3	31%	0.314	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.8	-167.7	157.2	72.2	0	0	0	109.1	D643 R646 L650	D643-L648 WeakPolarHBondContact CB-O 3.34Å; D643-L648 PolarHBondContact N-O 2.83Å; D643-L648 PolarHBondContact O-N 3Å; R646-L648 HydrophobicContact CB-CB 4Å; R646-L648 HydrophobicContact CB-CD2 4.35Å; R646-L648 PolarHBondContact O-N 3.16Å; L648-L650 HydrophobicContact CD2-CD2 3.53Å; L648-L650 HydrophobicContact CD2-CG 4.37Å; L648-L650 HydrophobicContact CG-CD2 4Å; L648-L650 HydrophobicContact CG-CG 4.45Å
649	S	88.3	Confident	89.3	Confident	43 Å²	43	51 Å²	51	30%	0.301	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.8	166.4	-177.8	0	0	0	0	110.3	E640	E640-S649 VanDerWaalsContact CD-OG 3.26Å; E640-S649 WeakPolarHBondContact CG-OG 3.27Å; E640-S649 PolarHBondContact OE1-OG 3Å
650	L	91.8	Very high	89.3	Confident	28 Å²	28	51 Å²	51	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.1	171.7	-62.5	176.4	0	0	0	108.8	P525 M567 E640 S641 D643 L648	P525-L650 HydrophobicContact CB-CD1 4.03Å; M567-L650 HydrophobicContact CB-CB 4.21Å; M567-L650 HydrophobicContact CB-CD1 4.11Å; M567-L650 HydrophobicContact CG-CB 4.09Å; M567-L650 HydrophobicContact CG-CD1 4.3Å; M567-L650 HydrophobicContact SD-CB 3.56Å; M567-L650 VanDerWaalsContact SD-CB 3.56Å; E640-L650 CarbonylContact C-O 3.01Å; E640-L650 WeakPolarHBondContact CA-O 3.16Å; S641-L650 PolarHBondContact N-O 2.81Å; S641-L650 PolarHBondContact O-N 3.32Å; S641-L650 VanDerWaalsContact O-O 3.13Å; D643-L650 HydrophobicContact CB-CD1 3.88Å; D643-L650 HydrophobicContact CB-CG 4.13Å; L648-L650 HydrophobicContact CD2-CD2 3.53Å; L648-L650 HydrophobicContact CD2-CG 4.37Å; L648-L650 HydrophobicContact CG-CD2 4Å; L648-L650 HydrophobicContact CG-CG 4.45Å
651	N	94.7	Very high	89.4	Confident	104 Å²	104	50.1 Å²	50.1	56%	0.556	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	154	174.4	63	29.4	0	0	0	111.8	V638 V639	V638-N651 HydrophobicContact CG1-CB 4.24Å; V639-N651 CarbonylContact O-C 3.3Å; V639-N651 WeakPolarHBondContact O-CA 3.13Å
652	T	96	Very high	89.5	Confident	10 Å²	10	50 Å²	50	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.3	173.2	-56.9	0	0	0	0	109.1	Q526 A527 M567 V638 V639 L654	Q526-T652 WeakPolarHBondContact CA-OG1 3.04Å; Q526-T652 HydrophobicContact CB-CG2 4.3Å; A527-T652 HydrophobicContact CB-CG2 4.18Å; A527-T652 PolarHBondContact N-OG1 3.03Å; M567-T652 PolarHBondContact SD-OG1 2.79Å; V638-T652 WeakPolarHBondContact CA-O 3.46Å; V639-T652 PolarHBondContact N-O 3.34Å; V639-T652 PolarHBondContact O-N 3.09Å; T652-L654 HydrophobicContact CG2-CD2 3.8Å; T652-L654 HydrophobicContact CG2-CG 4.2Å; T652-L654 PolarHBondContact O-N 3.1Å
653	N	96	Very high	89.9	Confident	119 Å²	119	45.6 Å²	45.6	64%	0.636	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	105.6	171.4	-65.7	-28.6	0	0	0	108.6	V638	V638-N653 WeakPolarHBondContact CG1-OD1 3.33Å; V638-N653 WeakPolarHBondContact CG2-OD1 3.31Å
654	L	96.3	Very high	90.7	Very high	9 Å²	9	48 Å²	48	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	142.4	178.3	-64.8	175.3	0	0	0	110.5	A527 L529 I563 S636 L637 V639 T652	A527-L654 HydrophobicContact CB-CD1 3.83Å; A527-L654 HydrophobicContact CB-CD2 4.23Å; A527-L654 HydrophobicContact CB-CG 4.27Å; A527-L654 WeakPolarHBondContact O-CD2 3.42Å; L529-L654 HydrophobicContact CD1-CB 4.26Å; L529-L654 HydrophobicContact CD2-CD1 3.79Å; L529-L654 HydrophobicContact CG-CB 4.42Å; L529-L654 HydrophobicContact CG-CD1 4.08Å; L529-L654 HydrophobicContact CG-CD2 4.37Å; I563-L654 HydrophobicContact CG2-CD1 3.96Å; S636-L654 VanDerWaalsContact CA-O 3.25Å; S636-L654 WeakPolarHBondContact CA-O 3.35Å; L637-L654 HydrophobicContact CD1-CB 4.36Å; L637-L654 HydrophobicContact CD1-CD1 3.88Å; L637-L654 HydrophobicContact CG-CB 4.17Å; L637-L654 HydrophobicContact CG-CD1 4.45Å; L637-L654 PolarHBondContact N-O 3.24Å; L637-L654 PolarHBondContact O-N 2.89Å; V639-L654 HydrophobicContact CG2-CD1 3.78Å; T652-L654 HydrophobicContact CG2-CD2 3.8Å; T652-L654 HydrophobicContact CG2-CG 4.2Å; T652-L654 PolarHBondContact O-N 3.1Å
655	R	95	Very high	92	Very high	134 Å²	134	46.9 Å²	46.9	51%	0.506	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.4	171.2	-67	-177.4	176.4	178.9	-4.3	108.4	Y634 V635 P657 Q1056	Y634-R655 HydrophobicContact CD2-CB 4.28Å; Y634-R655 HydrophobicContact CD2-CG 4.13Å; Y634-R655 HydrophobicContact CE2-CG 4.24Å; V635-R655 CarbonylContact O-C 3.53Å; V635-R655 WeakPolarHBondContact O-CA 3.43Å; R655-P657 WeakPolarHBondContact O-CD 3.44Å; R655-Q1056 PolarHBondContact O-NE2 2.79Å
656	L	97.2	Very high	93.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	97.5	174.8	-178.3	67.6	0	0	0	108.5	L529 L534 I561 L607 V609 Y634 V635	L529-L656 HydrophobicContact CD1-CB 3.78Å; L529-L656 HydrophobicContact CD1-CD1 4.03Å; L529-L656 HydrophobicContact CD1-CG 4.42Å; L534-L656 HydrophobicContact CD1-CD2 3.88Å; L534-L656 HydrophobicContact CD1-CG 4.33Å; L534-L656 HydrophobicContact CG-CD1 4.09Å; L534-L656 HydrophobicContact CG-CD2 4.17Å; L534-L656 HydrophobicContact CG-CG 4.17Å; I561-L656 HydrophobicContact CD1-CD2 3.59Å; I561-L656 HydrophobicContact CG1-CD1 4.41Å; I561-L656 HydrophobicContact CG1-CD2 3.87Å; L607-L656 HydrophobicContact CD2-CD2 4Å; V609-L656 HydrophobicContact CG2-CD2 3.91Å; Y634-L656 CarbonylContact C-O 3.41Å; Y634-L656 WeakPolarHBondContact CA-O 3.49Å; Y634-L656 WeakPolarHBondContact CB-O 3.48Å; V635-L656 HydrophobicContact CB-CB 4.36Å; V635-L656 PolarHBondContact N-O 3.48Å; V635-L656 PolarHBondContact O-N 3.24Å
657	P	97.5	Very high	94.7	Very high	6 Å²	6	48 Å²	48	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	141.3	175	-21.5	33.9	0	0	0	111.3	L534 R655 F1052 Y1053	L534-P657 PolarHBondContact N-O 2.87Å; R655-P657 WeakPolarHBondContact O-CD 3.44Å; P657-F1052 HydrophobicContact CB-CB 4.29Å; P657-F1052 HydrophobicContact CG-CB 3.76Å; P657-Y1053 HydrophobicContact CB-CD1 4.01Å; P657-Y1053 HydrophobicContact CB-CE1 3.56Å
658	I	97.5	Very high	95.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.7	179.7	-55.1	178.1	0	0	0	107.7	L534 L590 V592 V609 L611 E632 G633 V635 Y1053	L534-I658 HydrophobicContact CB-CG1 4.38Å; L534-I658 HydrophobicContact CD1-CG1 4.24Å; L534-I658 CarbonylContact O-C 3.51Å; L534-I658 VanDerWaalsContact O-CA 3.32Å; L534-I658 WeakPolarHBondContact O-CA 3.42Å; L590-I658 HydrophobicContact CD1-CG2 4.23Å; V592-I658 HydrophobicContact CG1-CD1 4.42Å; V592-I658 HydrophobicContact CG2-CD1 4.49Å; V609-I658 HydrophobicContact CG1-CD1 4.3Å; L611-I658 HydrophobicContact CD1-CG2 4.13Å; L611-I658 HydrophobicContact CD2-CD1 4.16Å; L611-I658 HydrophobicContact CD2-CG2 4.32Å; E632-I658 WeakPolarHBondContact CA-O 3.28Å; G633-I658 PolarHBondContact N-O 3.38Å; G633-I658 PolarHBondContact O-N 3.36Å; G633-I658 VanDerWaalsContact O-O 3.07Å; V635-I658 HydrophobicContact CG2-CD1 3.79Å; I658-Y1053 PolarHBondContact O-OH 2.89Å
659	K	97.5	Very high	95.9	Very high	14 Å²	14	45 Å²	45	6%	0.061	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	121.3	173.9	176.7	179.1	-75.6	178.6	0	107.2	L534 D535 L536 T537 V630 E632 E1050 Y1053	L534-K659 PolarHBondContact O-N 2.74Å; D535-K659 WeakPolarHBondContact OD1-CD 3.5Å; L536-K659 WeakPolarHBondContact CB-O 3.41Å; L536-K659 PolarHBondContact N-O 2.85Å; T537-K659 HydrophobicContact CG2-CG 4.22Å; V630-K659 HydrophobicContact CG1-CD 4.35Å; V630-K659 HydrophobicContact CG1-CG 3.6Å; E632-K659 HydrophobicContact CG-CB 4.22Å; E632-K659 HydrophobicContact CG-CG 4.02Å; E632-K659 WeakPolarHBondContact OE2-CE 3.44Å; E632-K659 IonicContact OE2-NZ 3.54Å; K659-E1050 IonicContact NZ-OE1 2.75Å; K659-E1050 PolarHBondContact NZ-OE1 3.06Å; K659-E1050 IonicContact NZ-OE2 3.81Å; K659-E1050 PolarHBondContact NZ-OE2 3.09Å; K659-Y1053 HydrophobicContact CB-CD1 4.05Å; K659-Y1053 HydrophobicContact CB-CE1 3.4Å; K659-Y1053 VanDerWaalsContact CB-CE1 3.4Å
660	A	97.7	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.7	-176.6	0	0	0	0	0	111.5	L536 L550 L590 V630 A631	L536-A660 HydrophobicContact CB-CB 4.36Å; L536-A660 HydrophobicContact CD2-CB 4.12Å; L550-A660 HydrophobicContact CD1-CB 3.83Å; L590-A660 HydrophobicContact CD1-CB 4.32Å; L590-A660 HydrophobicContact CD2-CB 4.13Å; V630-A660 WeakPolarHBondContact CA-O 3.32Å; A631-A660 PolarHBondContact N-O 2.93Å; A631-A660 PolarHBondContact O-N 2.81Å
661	N	97.4	Very high	96.6	Very high	58 Å²	58	45.3 Å²	45.3	31%	0.31	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.3	174.3	-171.7	27.1	0	0	0	110.1	T537 P549 L550 G629	T537-N661 HydrophobicContact CG2-CB 4.21Å; P549-N661 HydrophobicContact CB-CB 4.17Å; L550-N661 PolarHBondContact N-O 2.67Å; G629-N661 PolarHBondContact O-OD1 2.82Å
662	I	97.9	Very high	96.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.5	175.7	-56.2	176.1	0	0	0	108.8	L550 R589 L590 V613 F627 S628 G629 A631	L550-I662 HydrophobicContact CB-CG1 4.49Å; L550-I662 CarbonylContact O-C 3.53Å; L550-I662 VanDerWaalsContact O-CA 3.26Å; L550-I662 WeakPolarHBondContact O-CA 3.35Å; R589-I662 HydrophobicContact CB-CD1 3.77Å; L590-I662 HydrophobicContact CD2-CD1 3.94Å; L590-I662 HydrophobicContact CD2-CG1 4.38Å; L590-I662 HydrophobicContact CG-CD1 4.49Å; V613-I662 HydrophobicContact CG1-CD1 4.38Å; V613-I662 HydrophobicContact CG1-CG2 4.21Å; V613-I662 HydrophobicContact CG2-CD1 4.15Å; V613-I662 HydrophobicContact CG2-CG1 4.12Å; V613-I662 HydrophobicContact CG2-CG2 4.05Å; F627-I662 HydrophobicContact CD1-CB 3.84Å; F627-I662 HydrophobicContact CD1-CD1 4.45Å; F627-I662 HydrophobicContact CD1-CG2 3.8Å; F627-I662 HydrophobicContact CE1-CB 4Å; F627-I662 HydrophobicContact CE1-CD1 4.42Å; F627-I662 HydrophobicContact CE1-CG2 4.47Å; S628-I662 WeakPolarHBondContact CA-O 3.42Å; G629-I662 PolarHBondContact N-O 3.2Å; G629-I662 PolarHBondContact O-N 3.03Å; A631-I662 HydrophobicContact CB-CD1 3.64Å; A631-I662 HydrophobicContact CB-CG1 4.3Å
663	V	97.5	Very high	96.8	Very high	25 Å²	25	40 Å²	40	15%	0.152	20%	0.195	C	C	.	.			trans	-125	162.7	175	-64.2	0	0	0	0	111.4	P549 L550 Y551 F627 F723	P549-V663 HydrophobicContact CB-CB 4.4Å; P549-V663 HydrophobicContact CB-CG1 3.71Å; P549-V663 HydrophobicContact CB-CG2 3.93Å; P549-V663 HydrophobicContact CG-CB 4.18Å; P549-V663 HydrophobicContact CG-CG1 3.6Å; P549-V663 HydrophobicContact CG-CG2 3.48Å; P549-V663 VanDerWaalsContact CG-CG2 3.48Å; L550-V663 PolarHBondContact O-N 3.12Å; Y551-V663 VanDerWaalsContact CB-O 3.28Å; Y551-V663 WeakPolarHBondContact CB-O 3.31Å; Y551-V663 HydrophobicContact CD1-CG2 4.45Å; F627-V663 CarbonylContact O-C 3.52Å; F627-V663 WeakPolarHBondContact O-CA 3.45Å; V663-F723 HydrophobicContact CG2-CE1 4.49Å
664	P	97.3	Very high	96.8	Very high	57 Å²	57	34.3 Å²	34.3	37%	0.37	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-59.4	153	171.6	-23.9	35.7	0	0	0	111	S625 F627 P666	S625-P664 WeakPolarHBondContact O-CA 3.29Å; F627-P664 VanDerWaalsContact O-CD 3.24Å; F627-P664 WeakPolarHBondContact O-CD 3.45Å; P664-P666 VanDerWaalsContact O-CD 3.24Å; P664-P666 WeakPolarHBondContact O-CD 3.42Å; P664-P666 VanDerWaalsContact O-N 3.1Å
665	I	96.9	Very high	96.8	Very high	68 Å²	68	34 Å²	34	35%	0.349	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-54.4	119.4	-179.2	-57.9	-179.1	0	0	0	109.6	S552 S625	S552-I665 WeakPolarHBondContact O-CG1 3.48Å; S625-I665 PolarHBondContact O-N 3.29Å
666	P	97	Very high	96.7	Very high	17 Å²	17	27.7 Å²	27.7	11%	0.11	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-62.9	148.5	174.7	-21.8	33.5	0	0	0	110.8	Y551 P664 R668 R671 F723	Y551-P666 HydrophobicContact CD1-CG 3.89Å; Y551-P666 HydrophobicContact CD2-CG 4.47Å; Y551-P666 HydrophobicContact CE1-CG 3.92Å; Y551-P666 VanDerWaalsContact CG-CD 3.45Å; Y551-P666 HydrophobicContact CG-CG 4.18Å; P664-P666 VanDerWaalsContact O-CD 3.24Å; P664-P666 WeakPolarHBondContact O-CD 3.42Å; P664-P666 VanDerWaalsContact O-N 3.1Å; P666-R668 PolarHBondContact O-N 2.92Å; P666-R671 HydrophobicContact CB-CG 4.18Å; P666-R671 WeakPolarHBondContact O-CD 3.32Å; P666-F723 HydrophobicContact CB-CD2 3.55Å; P666-F723 HydrophobicContact CB-CE2 3.54Å; P666-F723 HydrophobicContact CB-CG 4.26Å; P666-F723 HydrophobicContact CB-CZ 4.21Å; P666-F723 HydrophobicContact CG-CD1 4Å; P666-F723 HydrophobicContact CG-CD2 3.5Å; P666-F723 VanDerWaalsContact CG-CD2 3.5Å; P666-F723 HydrophobicContact CG-CE1 3.83Å; P666-F723 HydrophobicContact CG-CE2 3.36Å; P666-F723 HydrophobicContact CG-CG 3.81Å; P666-F723 HydrophobicContact CG-CZ 3.52Å
667	H	95.7	Very high	96.5	Very high	134 Å²	134	29 Å²	29	62%	0.62	15%	0.145	S	C	*	.	P	Polyproline II helix	trans	-54.8	137.5	174.3	-173.1	-94	0	0	0	110.6	S669 K670	H667-S669 PolarHBondContact CE1-OG 3.1Å; H667-S669 WeakPolarHBondContact ND1-CB 3.14Å; H667-S669 PolarHBondContact ND1-N 3.34Å; H667-S669 PolarHBondContact ND1-OG 3.06Å; H667-S669 PolarHBondContact O-N 3Å; H667-K670 WeakPolarHBondContact O-CB 3.16Å; H667-K670 PolarHBondContact O-N 3.08Å
668	R	94.4	Very high	96.3	Very high	83 Å²	83	28.7 Å²	28.7	31%	0.313	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-54.6	-33.4	-173.3	80.9	178.6	-76.3	-112.2	5.8	113.2	P666 K670 R671 Y739 G740 K766 G767	P666-R668 PolarHBondContact O-N 2.92Å; R668-K670 PolarHBondContact O-N 3.01Å; R668-K670 VanDerWaalsContact O-N 3.09Å; R668-R671 WeakPolarHBondContact O-CB 3.29Å; R668-R671 PolarHBondContact O-N 3.09Å; R668-Y739 PolarHBondContact NE-O 3.36Å; R668-Y739 PolarHBondContact NH2-O 3.49Å; R668-G740 VanDerWaalsContact O-CA 3.23Å; R668-G740 WeakPolarHBondContact O-CA 3.33Å; R668-G740 PolarHBondContact O-N 3.49Å; R668-K766 PolarHBondContact NH2-O 3.09Å; R668-G767 PolarHBondContact NH1-O 3.12Å; R668-G767 PolarHBondContact NH2-O 3.12Å
669	S	94.4	Very high	95.8	Very high	34 Å²	34	28.8 Å²	28.8	24%	0.238	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-62.9	-15.4	176.8	70.1	0	0	0	0	114.7	H667 T963	H667-S669 PolarHBondContact CE1-OG 3.1Å; H667-S669 WeakPolarHBondContact ND1-CB 3.14Å; H667-S669 PolarHBondContact ND1-N 3.34Å; H667-S669 PolarHBondContact ND1-OG 3.06Å; H667-S669 PolarHBondContact O-N 3Å; S669-T963 VanDerWaalsContact O-CG2 3.29Å; S669-T963 WeakPolarHBondContact O-CG2 3.49Å
670	K	96.3	Very high	94.9	Very high	75 Å²	75	28.9 Å²	28.9	33%	0.326	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-98.4	-3.3	173.6	-69.5	-62	-167.2	173.2	0	113	H667 R668 K720 Y722 F723	H667-K670 WeakPolarHBondContact O-CB 3.16Å; H667-K670 PolarHBondContact O-N 3.08Å; R668-K670 PolarHBondContact O-N 3.01Å; R668-K670 VanDerWaalsContact O-N 3.09Å; K670-K720 PolarHBondContact NZ-O 2.79Å; K670-Y722 HydrophobicContact CD-CD1 3.97Å; K670-Y722 HydrophobicContact CD-CE1 3.96Å; K670-Y722 CarbonylContact O-C 3.58Å; K670-Y722 WeakPolarHBondContact O-CA 3.22Å; K670-F723 PolarHBondContact O-N 3.42Å
671	R	97.6	Very high	93.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.1	-178.9	-62.2	178.2	59.8	179.8	2.7	109.8	S553 P666 R668 E725 N738 Y739 G740 T741	S553-R671 PolarHBondContact O-NH2 2.73Å; S553-R671 PolarHBondContact OG-NH1 2.9Å; P666-R671 HydrophobicContact CB-CG 4.18Å; P666-R671 WeakPolarHBondContact O-CD 3.32Å; R668-R671 WeakPolarHBondContact O-CB 3.29Å; R668-R671 PolarHBondContact O-N 3.09Å; R671-E725 IonicContact CZ-OE1 2.68Å; R671-E725 IonicContact NE-OE1 3.76Å; R671-E725 PolarHBondContact NE-OE1 2.95Å; R671-E725 IonicContact NH2-OE1 2.67Å; R671-E725 PolarHBondContact NH2-OE1 3.34Å; R671-E725 IonicContact NH2-OE2 3.36Å; R671-N738 VanDerWaalsContact CD-O 3.27Å; R671-N738 WeakPolarHBondContact CD-O 3.37Å; R671-N738 VanDerWaalsContact CZ-O 3.23Å; R671-N738 PolarHBondContact NE-O 2.89Å; R671-N738 PolarHBondContact NH1-O 2.83Å; R671-Y739 HydrophobicContact CB-CD1 4.22Å; R671-G740 PolarHBondContact O-N 2.98Å; R671-G740 VanDerWaalsContact O-N 3.09Å; R671-T741 PolarHBondContact O-N 2.74Å
672	I	98.1	Very high	91.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.8	179.1	-61.9	-179.8	0	0	0	107.8	L717 Y722 F723 I724 E725 T741 L743 L959	I672-L717 HydrophobicContact CD1-CD1 4.24Å; I672-L717 HydrophobicContact CD1-CD2 4.1Å; I672-Y722 HydrophobicContact CD1-CD1 3.61Å; I672-Y722 HydrophobicContact CD1-CD2 4.33Å; I672-Y722 HydrophobicContact CD1-CE1 4.29Å; I672-Y722 HydrophobicContact CD1-CG 3.65Å; I672-Y722 HydrophobicContact CG1-CD1 3.96Å; I672-Y722 HydrophobicContact CG1-CG 4.36Å; I672-F723 PolarHBondContact N-O 2.89Å; I672-I724 HydrophobicContact CB-CG1 4.48Å; I672-I724 WeakPolarHBondContact O-CA 3.46Å; I672-E725 PolarHBondContact O-N 3.07Å; I672-T741 WeakPolarHBondContact CA-O 3.06Å; I672-L743 HydrophobicContact CG2-CD1 3.45Å; I672-L743 VanDerWaalsContact CG2-CD1 3.45Å; I672-L743 HydrophobicContact CG2-CG 3.54Å; I672-L959 HydrophobicContact CD1-CD1 3.95Å; I672-L959 HydrophobicContact CD1-CD2 3.73Å; I672-L959 HydrophobicContact CG1-CD2 4.32Å
673	L	97.8	Very high	89.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.2	168.2	-171.9	66.2	0	0	0	108.2	Q555 E725 L727 F734 Y739 T741 F742 L743	Q555-L673 HydrophobicContact CG-CD1 4.1Å; L673-E725 HydrophobicContact CD1-CB 3.92Å; L673-L727 HydrophobicContact CD1-CB 3.93Å; L673-L727 HydrophobicContact CD2-CB 4.37Å; L673-L727 HydrophobicContact CD2-CD2 4.22Å; L673-L727 HydrophobicContact CG-CB 4.09Å; L673-F734 HydrophobicContact CD2-CB 4.11Å; L673-F734 HydrophobicContact CD2-CD1 3.63Å; L673-F734 HydrophobicContact CD2-CD2 3.54Å; L673-F734 HydrophobicContact CD2-CE1 3.84Å; L673-F734 HydrophobicContact CD2-CE2 3.77Å; L673-F734 HydrophobicContact CD2-CG 3.48Å; L673-F734 VanDerWaalsContact CD2-CG 3.48Å; L673-F734 HydrophobicContact CD2-CZ 3.92Å; L673-Y739 HydrophobicContact CB-CD1 3.69Å; L673-Y739 HydrophobicContact CB-CE1 3.94Å; L673-Y739 HydrophobicContact CB-CG 4.04Å; L673-Y739 HydrophobicContact CD1-CE1 3.89Å; L673-Y739 HydrophobicContact CD2-CD2 4.33Å; L673-Y739 HydrophobicContact CD2-CE2 4.27Å; L673-Y739 HydrophobicContact CG-CE1 4.38Å; L673-T741 PolarHBondContact N-O 3.05Å; L673-F742 HydrophobicContact CB-CD2 3.81Å; L673-F742 HydrophobicContact CB-CE2 4.41Å; L673-F742 HydrophobicContact CD2-CD2 3.85Å; L673-F742 HydrophobicContact CD2-CE2 3.9Å; L673-F742 HydrophobicContact CG-CD2 3.84Å; L673-F742 HydrophobicContact CG-CE2 3.95Å; L673-F742 CarbonylContact O-C 3.57Å; L673-F742 WeakPolarHBondContact O-CA 3.48Å; L673-F742 WeakPolarHBondContact O-CD2 3.33Å; L673-L743 PolarHBondContact O-N 2.78Å
674	F	96.5	Very high	88.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.2	177	178.3	-88.6	0	0	0	109	Q676 I706 F710 I724 E725 L727 L743 I745	F674-Q676 HydrophobicContact CD1-CB 4.44Å; F674-Q676 HydrophobicContact CE1-CB 4.44Å; F674-Q676 PolarHBondContact O-N 3.27Å; F674-I706 HydrophobicContact CD1-CB 3.85Å; F674-I706 HydrophobicContact CD1-CG2 4.19Å; F674-I706 HydrophobicContact CD2-CB 4.19Å; F674-I706 HydrophobicContact CD2-CD1 3.97Å; F674-I706 HydrophobicContact CD2-CG1 4.18Å; F674-I706 HydrophobicContact CE1-CB 3.9Å; F674-I706 HydrophobicContact CE2-CB 4.22Å; F674-I706 HydrophobicContact CE2-CD1 4.02Å; F674-I706 HydrophobicContact CE2-CG1 4.46Å; F674-I706 HydrophobicContact CG-CB 4Å; F674-I706 HydrophobicContact CG-CG1 4.24Å; F674-I706 HydrophobicContact CZ-CB 4.09Å; F674-F710 HydrophobicContact CZ-CD2 4.21Å; F674-I724 HydrophobicContact CB-CG2 4.29Å; F674-E725 PolarHBondContact N-O 3.22Å; F674-L727 WeakPolarHBondContact O-CB 3.47Å; F674-L727 PolarHBondContact O-N 2.62Å; F674-L743 HydrophobicContact CD2-CB 4.33Å; F674-I745 HydrophobicContact CD2-CD1 4.24Å; F674-I745 HydrophobicContact CE2-CB 4.04Å; F674-I745 HydrophobicContact CE2-CD1 3.82Å; F674-I745 HydrophobicContact CE2-CG1 4.22Å
675	D	95.7	Very high	87.1	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.1	176.5	-172.2	9.6	0	0	0	111.3	F677 H678 F731 F742 L743 I744	D675-F677 PolarHBondContact OD1-N 3.12Å; D675-F677 VanDerWaalsContact OD1-N 3.17Å; D675-H678 VanDerWaalsContact CG-ND1 3.33Å; D675-H678 IonicContact OD1-ND1 3.62Å; D675-H678 PolarHBondContact OD1-ND1 3.43Å; D675-H678 VanDerWaalsContact OD1-ND1 3.16Å; D675-H678 IonicContact OD2-CE1 2.84Å; D675-H678 IonicContact OD2-CG 3.46Å; D675-H678 IonicContact OD2-ND1 3.07Å; D675-H678 PolarHBondContact OD2-ND1 3.22Å; D675-F731 WeakPolarHBondContact OD2-CE1 3.02Å; D675-F742 HydrophobicContact CB-CE2 3.85Å; D675-F742 HydrophobicContact CB-CZ 3.78Å; D675-L743 PolarHBondContact N-O 3.44Å; D675-I744 HydrophobicContact CB-CG1 4.25Å
676	Q	92.7	Very high	86.3	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.118	C	C	.	.			trans	-105.6	-19.2	174.8	-174.1	63.2	66.3	0	0	112.2	P387 F674 H678 S679 D704 H705 V726 L727	P387-Q676 HydrophobicContact CB-CG 3.64Å; F674-Q676 HydrophobicContact CD1-CB 4.44Å; F674-Q676 HydrophobicContact CE1-CB 4.44Å; F674-Q676 PolarHBondContact O-N 3.27Å; Q676-H678 VanDerWaalsContact C-N 3.26Å; Q676-H678 PolarHBondContact O-N 2.96Å; Q676-S679 PolarHBondContact O-N 3.11Å; Q676-D704 PolarHBondContact NE2-O 2.98Å; Q676-D704 PolarHBondContact OE1-O 3.33Å; Q676-H705 VanDerWaalsContact CD-CD2 3.46Å; Q676-H705 VanDerWaalsContact OE1-CA 3.22Å; Q676-H705 PolarHBondContact OE1-CD2 2.99Å; Q676-V726 HydrophobicContact CB-CG1 3.53Å; Q676-V726 HydrophobicContact CG-CG1 4.02Å; Q676-L727 WeakPolarHBondContact CB-O 3.3Å; Q676-L727 PolarHBondContact N-O 3.05Å
677	F	92	Very high	85.6	Confident	28 Å²	28	23.6 Å²	23.6	12%	0.123	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.7	-171.6	-177.2	-102.2	0	0	0	111.9	D675 L727 S729 T730 F752 N1006 V1007	D675-F677 PolarHBondContact OD1-N 3.12Å; D675-F677 VanDerWaalsContact OD1-N 3.17Å; F677-L727 PolarHBondContact N-O 3.48Å; F677-S729 WeakPolarHBondContact CB-O 3.09Å; F677-T730 HydrophobicContact CD1-CG2 4.18Å; F677-T730 HydrophobicContact CE1-CG2 3.57Å; F677-T730 HydrophobicContact CZ-CG2 3.9Å; F677-F752 HydrophobicContact CE1-CE2 4.13Å; F677-F752 HydrophobicContact CZ-CE2 4.37Å; F677-N1006 HydrophobicContact CE2-CB 4.27Å; F677-N1006 HydrophobicContact CZ-CB 3.94Å; F677-V1007 HydrophobicContact CE1-CG2 3.95Å
678	H	93.3	Very high	85.1	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	10	-178.1	-57.9	100.8	0	0	0	115	D675 Q676 F731 P747 E748 E749 E750 F751 E755	D675-H678 VanDerWaalsContact CG-ND1 3.33Å; D675-H678 IonicContact OD1-ND1 3.62Å; D675-H678 PolarHBondContact OD1-ND1 3.43Å; D675-H678 VanDerWaalsContact OD1-ND1 3.16Å; D675-H678 IonicContact OD2-CE1 2.84Å; D675-H678 IonicContact OD2-CG 3.46Å; D675-H678 IonicContact OD2-ND1 3.07Å; D675-H678 PolarHBondContact OD2-ND1 3.22Å; Q676-H678 VanDerWaalsContact C-N 3.26Å; Q676-H678 PolarHBondContact O-N 2.96Å; H678-F731 AromaticContact CE1-CD1 3.92Å; H678-F731 AromaticContact CE1-CE1 3.28Å; H678-F731 WeakPolarHBondContact CE1-CE1 3.01Å; H678-F731 AromaticContact CE1-CZ 3.65Å; H678-F731 AromaticContact ND1-CE1 3.48Å; H678-F731 WeakPolarHBondContact ND1-CE1 3.27Å; H678-F731 AromaticContact ND1-CZ 3.8Å; H678-P747 HydrophobicContact CB-CB 4.46Å; H678-E748 PolarHBondContact O-N 3.45Å; H678-E749 HydrophobicContact CB-CB 4.05Å; H678-E749 WeakPolarHBondContact O-CB 3.2Å; H678-E749 PolarHBondContact O-N 3.17Å; H678-E750 PolarHBondContact CD2-O 3.08Å; H678-E750 VanDerWaalsContact CD2-O 3.23Å; H678-F751 HydrophobicContact CB-CE1 3.79Å; H678-F751 HydrophobicContact CB-CZ 4.12Å; H678-F751 AromaticContact CD2-CD1 3.44Å; H678-F751 VanDerWaalsContact CD2-CD1 3.44Å; H678-F751 WeakPolarHBondContact CD2-CD1 3.31Å; H678-F751 AromaticContact CD2-CE1 3.59Å; H678-F751 AromaticContact CE1-CD1 3.56Å; H678-F751 AromaticContact CE1-CE1 3.77Å; H678-F751 AromaticContact CG-CD1 3.69Å; H678-F751 AromaticContact CG-CE1 3.33Å; H678-F751 AromaticContact ND1-CD1 3.77Å; H678-F751 AromaticContact ND1-CE1 3.47Å; H678-F751 WeakPolarHBondContact ND1-CE1 3.27Å; H678-F751 AromaticContact NE2-CD1 3.38Å; H678-F751 WeakPolarHBondContact NE2-CD1 3.36Å; H678-F751 AromaticContact NE2-CE1 3.87Å; H678-E755 IonicContact CE1-OE1 2.82Å; H678-E755 PolarHBondContact CE1-OE1 3.02Å; H678-E755 VanDerWaalsContact CE1-OE1 3.27Å; H678-E755 IonicContact CE1-OE2 3.6Å; H678-E755 IonicContact NE2-OE1 3.82Å; H678-E755 IonicContact NE2-OE2 2.74Å; H678-E755 PolarHBondContact NE2-OE2 3.06Å
679	S	88.4	Confident	84.5	Confident	3 Å²	3	14.4 Å²	14.4	2%	0.021	7%	0.074	C	C	.	.	S	Bend	trans	-100.4	144.4	170.6	-64.5	0	0	0	0	110	Q676	Q676-S679 PolarHBondContact O-N 3.11Å
680	I	77.4	Confident	84.2	Confident	16 Å²	16	13 Å²	13	8%	0.082	6%	0.064	C	C	.	.			trans	-75.5	134.1	176.8	-60.7	166.4	0	0	0	109.2	Y682 I687 E748 T800 L1001	I680-Y682 VanDerWaalsContact C-N 3.34Å; I680-Y682 PolarHBondContact O-N 3.47Å; I680-I687 HydrophobicContact CD1-CD1 3.41Å; I680-I687 VanDerWaalsContact CD1-CD1 3.41Å; I680-I687 HydrophobicContact CD1-CG1 3.86Å; I680-I687 HydrophobicContact CG2-CG1 4.49Å; I680-E748 WeakPolarHBondContact CA-OE2 3.5Å; I680-E748 WeakPolarHBondContact CB-OE2 3.37Å; I680-E748 HydrophobicContact CD1-CB 3.63Å; I680-E748 HydrophobicContact CD1-CG 4.45Å; I680-E748 HydrophobicContact CG1-CB 3.74Å; I680-E748 VanDerWaalsContact CG1-OE2 3.25Å; I680-E748 WeakPolarHBondContact CG1-OE2 3.25Å; I680-E748 PolarHBondContact N-OE2 2.7Å; I680-T800 HydrophobicContact CD1-CG2 4.24Å; I680-L1001 HydrophobicContact CD1-CD1 4.13Å
681	H	67.6	Low	83.8	Confident	34 Å²	34	9.8 Å²	9.8	16%	0.157	5%	0.05	C	C	.	.	S	Bend	trans	-64.1	-40.1	-171.6	-55.3	-52.2	0	0	0	113	L386 P387 N1006	L386-H681 HydrophobicContact CB-CB 3.81Å; L386-H681 VanDerWaalsContact O-CG 3.24Å; L386-H681 PolarHBondContact O-ND1 3.03Å; P387-H681 VanDerWaalsContact CB-CE1 3.41Å; P387-H681 WeakPolarHBondContact CB-CE1 3.34Å; P387-H681 VanDerWaalsContact CB-ND1 3.32Å; P387-H681 WeakPolarHBondContact CB-ND1 3.46Å; P387-H681 WeakPolarHBondContact CD-CE1 3.42Å; P387-H681 WeakPolarHBondContact CD-ND1 3.38Å; P387-H681 WeakPolarHBondContact CG-CE1 2.99Å; P387-H681 VanDerWaalsContact N-ND1 3.17Å; H681-N1006 PolarHBondContact NE2-ND2 2.64Å
682	Y	65.9	Low	83.3	Confident	22 Å²	22	10.2 Å²	10.2	9%	0.086	5%	0.053	C	C	.	.	S	Bend	trans	-175.4	143.5	-177.2	-166.7	-79.6	0	0	0	106.2	P317 F319 I680 S684 W701	P317-Y682 HydrophobicContact CB-CE1 4.35Å; P317-Y682 WeakPolarHBondContact CB-OH 3.32Å; F319-Y682 HydrophobicContact CD1-CE1 4.41Å; F319-Y682 AromaticContact CE1-CD1 3.43Å; F319-Y682 HydrophobicContact CE1-CD1 3.43Å; F319-Y682 VanDerWaalsContact CE1-CD1 3.43Å; F319-Y682 AromaticContact CE1-CE1 3.21Å; F319-Y682 HydrophobicContact CE1-CE1 3.21Å; F319-Y682 HydrophobicContact CE1-CG 4.25Å; F319-Y682 AromaticContact CE1-CZ 3.83Å; F319-Y682 HydrophobicContact CE2-CD1 4.43Å; F319-Y682 AromaticContact CZ-CD1 3.23Å; F319-Y682 HydrophobicContact CZ-CD1 3.23Å; F319-Y682 AromaticContact CZ-CE1 3.55Å; F319-Y682 HydrophobicContact CZ-CE1 3.55Å; F319-Y682 HydrophobicContact CZ-CG 4.02Å; I680-Y682 VanDerWaalsContact C-N 3.34Å; I680-Y682 PolarHBondContact O-N 3.47Å; Y682-S684 PolarHBondContact O-N 2.72Å; Y682-W701 VanDerWaalsContact CD2-O 3.28Å; Y682-W701 WeakPolarHBondContact CD2-O 3.42Å; Y682-W701 WeakPolarHBondContact CE2-O 3.46Å
683	P	55.8	Low	82.6	Confident	13 Å²	13	11.9 Å²	11.9	8%	0.084	6%	0.064	C	C	.	.			trans	-62.4	102.2	-177	24.8	-36.6	0	0	0	111.4	G685 I687 D700	P683-G685 VanDerWaalsContact C-N 3.3Å; P683-G685 WeakPolarHBondContact CB-O 3.35Å; P683-I687 HydrophobicContact CB-CB 4.17Å; P683-I687 HydrophobicContact CB-CG1 4.12Å; P683-D700 WeakPolarHBondContact CD-O 3.44Å; P683-D700 WeakPolarHBondContact CG-O 3.47Å
684	S	63.6	Low	81.5	Confident	35 Å²	35	17.9 Å²	17.9	25%	0.245	9%	0.086	C	C	.	.	S	Bend	trans	-83.2	-14	161	49.3	0	0	0	0	112	Y682 Y1004	Y682-S684 PolarHBondContact O-N 2.72Å; S684-Y1004 VanDerWaalsContact CB-CD1 3.42Å; S684-Y1004 WeakPolarHBondContact O-CE1 3.16Å; S684-Y1004 PolarHBondContact O-OH 3.13Å; S684-Y1004 WeakPolarHBondContact OG-CB 3.41Å; S684-Y1004 WeakPolarHBondContact OG-CD1 3.25Å
685	G	71.8	Confident	80.1	Confident	3 Å²	3	20.4 Å²	20.4	3%	0.031	10%	0.102	C	C	.	.	S	Bend	trans	-125.1	-170	174.8	0	0	0	0	0	111.9	P683 I687 D799	P683-G685 VanDerWaalsContact C-N 3.3Å; P683-G685 WeakPolarHBondContact CB-O 3.35Å; G685-I687 PolarHBondContact O-N 3.32Å; G685-D799 WeakPolarHBondContact CA-OD2 3.3Å
686	F	79.4	Confident	78.4	Confident	2 Å²	2	28 Å²	28	1%	0.009	14%	0.135	C	C	.	.			trans	-83.7	97.8	171.2	178.2	-168.8	0	0	0	108	P688 P698 L699 L785 F787 W796 P798 D799	F686-P688 HydrophobicContact CE2-CB 3.98Å; F686-P688 HydrophobicContact CZ-CB 4.45Å; F686-P698 HydrophobicContact CE2-CB 4.26Å; F686-P698 HydrophobicContact CZ-CB 4.34Å; F686-L699 HydrophobicContact CD2-CD2 3.41Å; F686-L699 VanDerWaalsContact CD2-CD2 3.41Å; F686-L699 HydrophobicContact CE2-CD2 3.92Å; F686-L699 HydrophobicContact CG-CD2 4.34Å; F686-L785 WeakPolarHBondContact CE1-O 3.18Å; F686-F787 HydrophobicContact CD1-CD1 4.24Å; F686-F787 AromaticContact CD1-CE1 3.79Å; F686-F787 HydrophobicContact CD1-CE1 3.79Å; F686-F787 HydrophobicContact CD2-CE1 4.33Å; F686-F787 AromaticContact CE1-CD1 3.58Å; F686-F787 HydrophobicContact CE1-CD1 3.58Å; F686-F787 AromaticContact CE1-CE1 3.47Å; F686-F787 HydrophobicContact CE1-CE1 3.47Å; F686-F787 VanDerWaalsContact CE1-CE1 3.47Å; F686-F787 HydrophobicContact CE2-CE1 4.04Å; F686-F787 HydrophobicContact CG-CE1 4.22Å; F686-F787 AromaticContact CZ-CD1 3.85Å; F686-F787 HydrophobicContact CZ-CD1 3.85Å; F686-F787 AromaticContact CZ-CE1 3.6Å; F686-F787 HydrophobicContact CZ-CE1 3.6Å; F686-W796 HydrophobicContact CB-CB 4.17Å; F686-W796 HydrophobicContact CB-CD2 4.35Å; F686-W796 HydrophobicContact CB-CE3 3.6Å; F686-W796 HydrophobicContact CB-CZ3 4.35Å; F686-W796 HydrophobicContact CD1-CB 3.76Å; F686-W796 HydrophobicContact CG-CB 4.3Å; F686-P798 HydrophobicContact CD1-CB 4.38Å; F686-P798 VanDerWaalsContact CD1-CD 3.47Å; F686-P798 HydrophobicContact CD1-CG 3.72Å; F686-P798 VanDerWaalsContact CD1-N 3.33Å; F686-P798 HydrophobicContact CE1-CG 3.51Å; F686-P798 HydrophobicContact CG-CG 4.34Å; F686-P798 HydrophobicContact CZ-CG 3.99Å; F686-P798 CarbonylContact O-C 3.54Å; F686-P798 VanDerWaalsContact O-CA 3.25Å; F686-P798 WeakPolarHBondContact O-CA 3.48Å; F686-D799 PolarHBondContact N-OD2 3.01Å; F686-D799 PolarHBondContact O-N 3.4Å
687	I	83.9	Confident	77	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.021	15%	0.151	C	C	.	.			trans	-103.2	108.6	171.4	-54.5	-51.3	0	0	0	107.1	I680 P683 G685 L699 D700 E748 D799 T800	I680-I687 HydrophobicContact CD1-CD1 3.41Å; I680-I687 VanDerWaalsContact CD1-CD1 3.41Å; I680-I687 HydrophobicContact CD1-CG1 3.86Å; I680-I687 HydrophobicContact CG2-CG1 4.49Å; P683-I687 HydrophobicContact CB-CB 4.17Å; P683-I687 HydrophobicContact CB-CG1 4.12Å; G685-I687 PolarHBondContact O-N 3.32Å; I687-L699 WeakPolarHBondContact O-CA 3.24Å; I687-D700 PolarHBondContact O-N 3.04Å; I687-E748 WeakPolarHBondContact CG2-OE1 3.32Å; I687-D799 HydrophobicContact CD1-CB 4.17Å; I687-T800 HydrophobicContact CD1-CG2 3.88Å; I687-T800 HydrophobicContact CG2-CG2 4.47Å
688	P	83.4	Confident	75.8	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.013	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-75.5	158	-176.2	35	-36.3	0	0	0	110.5	F686 P698 W776 P798 T800	F686-P688 HydrophobicContact CE2-CB 3.98Å; F686-P688 HydrophobicContact CZ-CB 4.45Å; P688-P698 CarbonylContact C-O 3.51Å; P688-P698 VanDerWaalsContact CA-O 3.23Å; P688-P698 WeakPolarHBondContact CA-O 3.46Å; P688-W776 HydrophobicContact CB-CH2 4.06Å; P688-W776 HydrophobicContact CB-CZ2 3.74Å; P688-W776 HydrophobicContact CG-CH2 3.53Å; P688-W776 HydrophobicContact CG-CZ2 3.38Å; P688-P798 HydrophobicContact CG-CB 4.02Å; P688-P798 HydrophobicContact CG-CG 4.46Å; P688-T800 VanDerWaalsContact CD-O 3.31Å; P688-T800 WeakPolarHBondContact CD-O 3.21Å; P688-T800 WeakPolarHBondContact CG-O 3.46Å
689	R	83.1	Confident	74.9	Confident	22 Å²	22	36 Å²	36	8%	0.083	18%	0.179	C	C	.	.			trans	-66.6	158.2	172.3	-66.9	-166.8	178.3	-170.2	9.3	113.4	E697 P698 L699 D700 W776	R689-E697 VanDerWaalsContact CD-O 3.24Å; R689-E697 WeakPolarHBondContact CD-O 3.11Å; R689-E697 IonicContact CZ-OE2 3.47Å; R689-E697 PolarHBondContact NE-O 3.02Å; R689-E697 IonicContact NH1-OE2 2.64Å; R689-E697 IonicContact NH2-OE2 3.47Å; R689-E697 PolarHBondContact NH2-OE2 2.78Å; R689-P698 PolarHBondContact N-O 3.36Å; R689-L699 VanDerWaalsContact CG-C 3.46Å; R689-L699 VanDerWaalsContact CG-O 3.22Å; R689-L699 WeakPolarHBondContact CG-O 3.4Å; R689-L699 PolarHBondContact NE-O 3.34Å; R689-D700 HydrophobicContact CG-CB 4.4Å; R689-W776 PolarHBondContact O-NE1 3.01Å; R689-W776 VanDerWaalsContact O-NE1 3.09Å
690	D	88.4	Confident	74.3	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.027	18%	0.18	C	C	.	.	S	Bend	trans	-63.4	-52.7	172.6	-41.1	-26.5	0	0	0	109.6	L692 D746 W776 S839 D940	D690-L692 PolarHBondContact O-N 3.39Å; D690-L692 VanDerWaalsContact O-N 3.1Å; D690-D746 VanDerWaalsContact OD1-OD2 3.07Å; D690-W776 PolarHBondContact O-NE1 2.88Å; D690-S839 WeakPolarHBondContact O-CB 3.37Å; D690-D940 HydrophobicContact CB-CB 4.25Å
691	D	88.1	Confident	74.1	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.037	18%	0.184	C	C	.	.			trans	-80.5	90.7	177.4	-175.7	13.4	0	0	0	113.6	T693 R694 H838	D691-T693 VanDerWaalsContact CG-OG1 3.25Å; D691-T693 PolarHBondContact O-N 3.47Å; D691-T693 VanDerWaalsContact O-N 3.12Å; D691-T693 VanDerWaalsContact OD1-CB 3.24Å; D691-T693 WeakPolarHBondContact OD1-CB 3.48Å; D691-T693 WeakPolarHBondContact OD1-CG2 3.48Å; D691-T693 PolarHBondContact OD1-N 2.68Å; D691-T693 PolarHBondContact OD1-OG1 3.41Å; D691-T693 PolarHBondContact OD2-OG1 3.05Å; D691-R694 PolarHBondContact O-N 3.02Å; D691-R694 WeakPolarHBondContact OD2-CD 3.44Å; D691-R694 VanDerWaalsContact OD2-CG 3.3Å; D691-R694 WeakPolarHBondContact OD2-CG 3.12Å; D691-H838 HydrophobicContact CB-CB 3.92Å
692	L	87.3	Confident	74.3	Confident	13 Å²	13	36 Å²	36	7%	0.068	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16	172.6	-64.2	-176.9	0	0	0	114.8	D690 R694 W776 V781 L785 V823 S839 I868 F872	D690-L692 PolarHBondContact O-N 3.39Å; D690-L692 VanDerWaalsContact O-N 3.1Å; L692-R694 PolarHBondContact O-N 2.98Å; L692-W776 HydrophobicContact CD1-CD2 3.87Å; L692-W776 HydrophobicContact CD1-CE3 4.16Å; L692-W776 HydrophobicContact CD1-CG 4.3Å; L692-W776 HydrophobicContact CD1-CH2 4.49Å; L692-W776 HydrophobicContact CD1-CZ2 4.22Å; L692-W776 HydrophobicContact CD1-CZ3 4.45Å; L692-W776 HydrophobicContact CD2-CD2 4.47Å; L692-W776 HydrophobicContact CD2-CH2 4.01Å; L692-W776 HydrophobicContact CD2-CZ2 3.4Å; L692-W776 HydrophobicContact CG-CD2 4.21Å; L692-W776 HydrophobicContact CG-CZ2 4.02Å; L692-V781 HydrophobicContact CD1-CG1 3.67Å; L692-L785 HydrophobicContact CD2-CD1 3.55Å; L692-L785 HydrophobicContact CD2-CD2 4.28Å; L692-V823 HydrophobicContact CD1-CG1 4.11Å; L692-S839 WeakPolarHBondContact CB-OG 3.34Å; L692-S839 PolarHBondContact N-OG 3.08Å; L692-I868 HydrophobicContact CB-CD1 4.33Å; L692-F872 HydrophobicContact CB-CE2 3.89Å; L692-F872 HydrophobicContact CB-CZ 3.93Å; L692-F872 HydrophobicContact CD1-CE2 4.26Å; L692-F872 WeakPolarHBondContact O-CZ 3.49Å
693	T	81.5	Confident	74.6	Confident	37 Å²	37	35 Å²	35	23%	0.227	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-10	178.8	76.2	0	0	0	0	112.5	D691 L901 L903	D691-T693 VanDerWaalsContact CG-OG1 3.25Å; D691-T693 PolarHBondContact O-N 3.47Å; D691-T693 VanDerWaalsContact O-N 3.12Å; D691-T693 VanDerWaalsContact OD1-CB 3.24Å; D691-T693 WeakPolarHBondContact OD1-CB 3.48Å; D691-T693 WeakPolarHBondContact OD1-CG2 3.48Å; D691-T693 PolarHBondContact OD1-N 2.68Å; D691-T693 PolarHBondContact OD1-OG1 3.41Å; D691-T693 PolarHBondContact OD2-OG1 3.05Å; T693-L901 HydrophobicContact CG2-CD1 4.39Å; T693-L903 HydrophobicContact CG2-CD1 4.08Å; T693-L903 HydrophobicContact CG2-CD2 3.62Å
694	R	75	Confident	76	Confident	125 Å²	125	34.4 Å²	34.4	47%	0.472	17%	0.169	S	C	.	.			trans	-103.9	100.5	178.5	-64.1	178.2	73.2	98.6	2.4	111.6	D691 L692	D691-R694 PolarHBondContact O-N 3.02Å; D691-R694 WeakPolarHBondContact OD2-CD 3.44Å; D691-R694 VanDerWaalsContact OD2-CG 3.3Å; D691-R694 WeakPolarHBondContact OD2-CG 3.12Å; L692-R694 PolarHBondContact O-N 2.98Å
695	T	67.2	Low	77.3	Confident	54 Å²	54	32.8 Å²	32.8	33%	0.331	16%	0.158	S	C	.	.			trans	-84.6	-14.5	-174	44.1	0	0	0	0	115.3	E898 P899	T695-E898 HydrophobicContact CG2-CB 4.47Å; T695-E898 HydrophobicContact CG2-CG 4.42Å; T695-E898 WeakPolarHBondContact OG1-CG 3.22Å; T695-E898 PolarHBondContact OG1-OE1 2.88Å; T695-P899 HydrophobicContact CG2-CG 4.32Å
696	K	60.3	Low	78.2	Confident	163 Å²	163	32.6 Å²	32.6	71%	0.709	16%	0.156	S	C	*	.	S	Bend	trans	-79.3	-26.2	-170.7	-64.2	-172.2	178.6	-173.5	0	114.9
697	E	64	Low	78.7	Confident	73 Å²	73	33.1 Å²	33.1	34%	0.341	16%	0.159	S	C	.	.			trans	-138.9	90.4	-178.1	-68.7	168.9	-169.2	0	0	108	R689 L699	R689-E697 VanDerWaalsContact CD-O 3.24Å; R689-E697 WeakPolarHBondContact CD-O 3.11Å; R689-E697 IonicContact CZ-OE2 3.47Å; R689-E697 PolarHBondContact NE-O 3.02Å; R689-E697 IonicContact NH1-OE2 2.64Å; R689-E697 IonicContact NH2-OE2 3.47Å; R689-E697 PolarHBondContact NH2-OE2 2.78Å; E697-L699 VanDerWaalsContact C-N 3.34Å; E697-L699 PolarHBondContact O-N 2.87Å
698	P	67.2	Low	78.9	Confident	58 Å²	58	32.9 Å²	32.9	38%	0.377	16%	0.158	S	C	.	.			trans	-77.2	-17.3	-166.8	28.7	-35.4	0	0	0	114.3	F686 P688 R689	F686-P698 HydrophobicContact CE2-CB 4.26Å; F686-P698 HydrophobicContact CZ-CB 4.34Å; P688-P698 CarbonylContact C-O 3.51Å; P688-P698 VanDerWaalsContact CA-O 3.23Å; P688-P698 WeakPolarHBondContact CA-O 3.46Å; R689-P698 PolarHBondContact N-O 3.36Å
699	L	73.5	Confident	79	Confident	64 Å²	64	32.8 Å²	32.8	34%	0.335	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-87.9	141.7	-176.2	-64.1	170.4	0	0	0	111.6	F686 I687 R689 E697	F686-L699 HydrophobicContact CD2-CD2 3.41Å; F686-L699 VanDerWaalsContact CD2-CD2 3.41Å; F686-L699 HydrophobicContact CE2-CD2 3.92Å; F686-L699 HydrophobicContact CG-CD2 4.34Å; I687-L699 WeakPolarHBondContact O-CA 3.24Å; R689-L699 VanDerWaalsContact CG-C 3.46Å; R689-L699 VanDerWaalsContact CG-O 3.22Å; R689-L699 WeakPolarHBondContact CG-O 3.4Å; R689-L699 PolarHBondContact NE-O 3.34Å; E697-L699 VanDerWaalsContact C-N 3.34Å; E697-L699 PolarHBondContact O-N 2.87Å
700	D	76.7	Confident	79.4	Confident	9 Å²	9	31.8 Å²	31.8	5%	0.048	15%	0.153	C	C	.	.			trans	-84.7	105.2	156.7	-178.7	45.9	0	0	0	109.2	P683 I687 R689 G703 N709	P683-D700 WeakPolarHBondContact CD-O 3.44Å; P683-D700 WeakPolarHBondContact CG-O 3.47Å; I687-D700 PolarHBondContact O-N 3.04Å; R689-D700 HydrophobicContact CG-CB 4.4Å; D700-G703 PolarHBondContact OD2-N 3.29Å; D700-N709 PolarHBondContact OD1-ND2 3.09Å
701	W	71.3	Confident	79.4	Confident	45 Å²	45	32.9 Å²	32.9	17%	0.17	16%	0.159	C	C	.	.			trans	-104.9	-6.3	-170.1	52	-73.9	0	0	0	112.9	D345 T351 Y682	D345-W701 HydrophobicContact CB-CH2 3.66Å; D345-W701 HydrophobicContact CB-CZ3 3.66Å; T351-W701 HydrophobicContact CG2-CH2 3.74Å; T351-W701 HydrophobicContact CG2-CZ3 3.68Å; Y682-W701 VanDerWaalsContact CD2-O 3.28Å; Y682-W701 WeakPolarHBondContact CD2-O 3.42Å; Y682-W701 WeakPolarHBondContact CE2-O 3.46Å
702	L	72.1	Confident	79.6	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.17	C	C	.	.	S	Bend	trans	-97.1	-16.1	-172.5	-68.3	173.6	0	0	0	112.8	L348 T351 T708 N709 T945	L348-L702 HydrophobicContact CB-CD1 4.22Å; L348-L702 HydrophobicContact CD1-CD1 3.5Å; L348-L702 VanDerWaalsContact CD1-CD1 3.5Å; L348-L702 HydrophobicContact CG-CD1 4.46Å; T351-L702 HydrophobicContact CG2-CD2 3.43Å; T351-L702 VanDerWaalsContact CG2-CD2 3.43Å; L702-T708 PolarHBondContact O-OG1 3.04Å; L702-N709 WeakPolarHBondContact CB-OD1 3.45Å; L702-N709 WeakPolarHBondContact CD1-OD1 3.2Å; L702-T945 HydrophobicContact CD1-CG2 3.42Å; L702-T945 VanDerWaalsContact CD1-CG2 3.42Å
703	G	73.7	Confident	80	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	17%	0.167	C	C	.	.			trans	67.5	148.8	-177.3	0	0	0	0	0	112.2	D700 H705 T708 N709	D700-G703 PolarHBondContact OD2-N 3.29Å; G703-H705 PolarHBondContact O-N 3.29Å; G703-T708 PolarHBondContact O-OG1 3.03Å; G703-N709 PolarHBondContact O-ND2 3.31Å
704	D	84.8	Confident	80.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-86	66.8	-174.5	-65.1	-35.6	0	0	0	112.4	Q676 N709 F710	Q676-D704 PolarHBondContact NE2-O 2.98Å; Q676-D704 PolarHBondContact OE1-O 3.33Å; D704-N709 PolarHBondContact OD1-ND2 3.02Å; D704-N709 VanDerWaalsContact OD1-ND2 3.1Å; D704-F710 HydrophobicContact CB-CE2 3.88Å
705	H	89.6	Confident	81.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.			trans	-97.1	140.5	170.5	-155.6	-61.4	0	0	0	111.5	M381 L386 Q676 G703 H707 T708 N709 F710	M381-H705 HydrophobicContact CE-CB 4.36Å; L386-H705 HydrophobicContact CD1-CB 4.01Å; L386-H705 VanDerWaalsContact CD2-CD2 3.4Å; L386-H705 WeakPolarHBondContact CD2-CD2 3.41Å; Q676-H705 VanDerWaalsContact CD-CD2 3.46Å; Q676-H705 VanDerWaalsContact OE1-CA 3.22Å; Q676-H705 PolarHBondContact OE1-CD2 2.99Å; G703-H705 PolarHBondContact O-N 3.29Å; H705-H707 AromaticContact CE1-CE1 3.88Å; H705-H707 AromaticContact CE1-CG 3.79Å; H705-H707 AromaticContact CE1-ND1 2.98Å; H705-H707 PolarHBondContact CE1-ND1 3.43Å; H705-H707 WeakPolarHBondContact ND1-CB 3.48Å; H705-H707 AromaticContact ND1-CG 3.54Å; H705-H707 PolarHBondContact ND1-N 3.26Å; H705-H707 AromaticContact ND1-ND1 3.22Å; H705-H707 PolarHBondContact ND1-ND1 2.96Å; H705-H707 PolarHBondContact O-N 3Å; H705-T708 HydrophobicContact CB-CG2 4.14Å; H705-T708 WeakPolarHBondContact CB-OG1 3.48Å; H705-T708 PolarHBondContact N-OG1 2.63Å; H705-T708 PolarHBondContact O-N 3.47Å; H705-T708 PolarHBondContact O-OG1 2.9Å; H705-N709 PolarHBondContact O-N 3.42Å; H705-F710 PolarHBondContact O-N 2.95Å; H705-F710 VanDerWaalsContact O-N 3.15Å
706	I	92.1	Very high	82.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-4.9	172.7	-165.2	52.6	0	0	0	114.3	F674 F710 L713 Y714 I724 V726	F674-I706 HydrophobicContact CD1-CB 3.85Å; F674-I706 HydrophobicContact CD1-CG2 4.19Å; F674-I706 HydrophobicContact CD2-CB 4.19Å; F674-I706 HydrophobicContact CD2-CD1 3.97Å; F674-I706 HydrophobicContact CD2-CG1 4.18Å; F674-I706 HydrophobicContact CE1-CB 3.9Å; F674-I706 HydrophobicContact CE2-CB 4.22Å; F674-I706 HydrophobicContact CE2-CD1 4.02Å; F674-I706 HydrophobicContact CE2-CG1 4.46Å; F674-I706 HydrophobicContact CG-CB 4Å; F674-I706 HydrophobicContact CG-CG1 4.24Å; F674-I706 HydrophobicContact CZ-CB 4.09Å; I706-F710 HydrophobicContact CD1-CB 3.85Å; I706-F710 CarbonylContact O-C 3.51Å; I706-L713 HydrophobicContact CD1-CD2 3.84Å; I706-L713 HydrophobicContact CD1-CG 4.02Å; I706-Y714 HydrophobicContact CG1-CD2 4.04Å; I706-Y714 WeakPolarHBondContact O-CB 3.5Å; I706-I724 HydrophobicContact CG1-CG2 4.3Å; I706-V726 HydrophobicContact CG2-CG2 3.58Å
707	H	90.2	Very high	84.6	Confident	12 Å²	12	20 Å²	20	6%	0.056	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-4.4	-169.5	-62.8	140.9	0	0	0	113.5	F349 M381 Y390 H705 Y714	F349-H707 WeakPolarHBondContact CB-O 3.5Å; M381-H707 HydrophobicContact CE-CB 4.35Å; Y390-H707 HydrophobicContact CD1-CB 4.41Å; Y390-H707 HydrophobicContact CD2-CB 4.03Å; Y390-H707 AromaticContact CD2-CE1 3.66Å; Y390-H707 AromaticContact CD2-CG 3.66Å; Y390-H707 AromaticContact CD2-ND1 3.18Å; Y390-H707 WeakPolarHBondContact CD2-ND1 3.38Å; Y390-H707 HydrophobicContact CE1-CB 3.64Å; Y390-H707 HydrophobicContact CE2-CB 3.38Å; Y390-H707 AromaticContact CE2-CD2 3.24Å; Y390-H707 WeakPolarHBondContact CE2-CD2 3.5Å; Y390-H707 AromaticContact CE2-CE1 3.12Å; Y390-H707 WeakPolarHBondContact CE2-CE1 3.41Å; Y390-H707 AromaticContact CE2-CG 2.85Å; Y390-H707 AromaticContact CE2-ND1 2.78Å; Y390-H707 WeakPolarHBondContact CE2-ND1 3.16Å; Y390-H707 AromaticContact CE2-NE2 3.38Å; Y390-H707 WeakPolarHBondContact CE2-NE2 3.32Å; Y390-H707 AromaticContact CZ-CD2 3.4Å; Y390-H707 AromaticContact CZ-CG 3.07Å; Y390-H707 AromaticContact CZ-ND1 3.56Å; Y390-H707 WeakPolarHBondContact OH-CB 3.34Å; Y390-H707 PolarHBondContact OH-CD2 2.59Å; H705-H707 AromaticContact CE1-CE1 3.88Å; H705-H707 AromaticContact CE1-CG 3.79Å; H705-H707 AromaticContact CE1-ND1 2.98Å; H705-H707 PolarHBondContact CE1-ND1 3.43Å; H705-H707 WeakPolarHBondContact ND1-CB 3.48Å; H705-H707 AromaticContact ND1-CG 3.54Å; H705-H707 PolarHBondContact ND1-N 3.26Å; H705-H707 AromaticContact ND1-ND1 3.22Å; H705-H707 PolarHBondContact ND1-ND1 2.96Å; H705-H707 PolarHBondContact O-N 3Å; H707-Y714 AromaticContact CD2-CD2 3.79Å; H707-Y714 AromaticContact CD2-CE2 3.94Å; H707-Y714 AromaticContact CD2-CG 3.85Å; H707-Y714 AromaticContact NE2-CD2 3.57Å; H707-Y714 AromaticContact NE2-CE2 3.31Å; H707-Y714 VanDerWaalsContact NE2-CE2 3.31Å; H707-Y714 WeakPolarHBondContact NE2-CE2 2.78Å; H707-Y714 AromaticContact NE2-CZ 3.66Å
708	T	87.5	Confident	86.2	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-91.8	170.6	54.3	0	0	0	0	108.2	F349 M381 L702 G703 H705 F710 L711	F349-T708 HydrophobicContact CB-CG2 4.32Å; F349-T708 VanDerWaalsContact O-CB 3.31Å; F349-T708 WeakPolarHBondContact O-CB 3.49Å; M381-T708 HydrophobicContact CE-CG2 3.69Å; M381-T708 HydrophobicContact SD-CG2 4.49Å; L702-T708 PolarHBondContact O-OG1 3.04Å; G703-T708 PolarHBondContact O-OG1 3.03Å; H705-T708 HydrophobicContact CB-CG2 4.14Å; H705-T708 WeakPolarHBondContact CB-OG1 3.48Å; H705-T708 PolarHBondContact N-OG1 2.63Å; H705-T708 PolarHBondContact O-N 3.47Å; H705-T708 PolarHBondContact O-OG1 2.9Å; T708-F710 VanDerWaalsContact C-N 3.31Å; T708-F710 PolarHBondContact O-N 2.84Å; T708-L711 WeakPolarHBondContact O-CB 3.49Å; T708-L711 PolarHBondContact O-N 2.81Å
709	N	85	Confident	87.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-38.1	177.9	-83.4	-9.2	0	0	0	112.2	D700 L702 G703 D704 H705 S943 S944	D700-N709 PolarHBondContact OD1-ND2 3.09Å; L702-N709 WeakPolarHBondContact CB-OD1 3.45Å; L702-N709 WeakPolarHBondContact CD1-OD1 3.2Å; G703-N709 PolarHBondContact O-ND2 3.31Å; D704-N709 PolarHBondContact OD1-ND2 3.02Å; D704-N709 VanDerWaalsContact OD1-ND2 3.1Å; H705-N709 PolarHBondContact O-N 3.42Å; N709-S943 PolarHBondContact O-OG 3.44Å; N709-S944 WeakPolarHBondContact O-CA 3.35Å; N709-S944 WeakPolarHBondContact O-CB 3.23Å; N709-S944 PolarHBondContact O-N 2.89Å; N709-S944 PolarHBondContact O-OG 2.86Å
710	F	91.2	Very high	88.6	Confident	0 Å²	0	27 Å²	27	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	26.5	-176.2	-60.4	-66.1	0	0	0	113.9	F674 D704 H705 I706 T708 D712 L713 Y714 I745 D746 L942	F674-F710 HydrophobicContact CZ-CD2 4.21Å; D704-F710 HydrophobicContact CB-CE2 3.88Å; H705-F710 PolarHBondContact O-N 2.95Å; H705-F710 VanDerWaalsContact O-N 3.15Å; I706-F710 HydrophobicContact CD1-CB 3.85Å; I706-F710 CarbonylContact O-C 3.51Å; T708-F710 VanDerWaalsContact C-N 3.31Å; T708-F710 PolarHBondContact O-N 2.84Å; F710-D712 PolarHBondContact O-N 2.81Å; F710-L713 HydrophobicContact CB-CB 4.18Å; F710-L713 HydrophobicContact CB-CD2 4.13Å; F710-L713 HydrophobicContact CD1-CD2 4.26Å; F710-L713 HydrophobicContact CG-CD2 4.39Å; F710-L713 WeakPolarHBondContact O-CB 3.38Å; F710-L713 PolarHBondContact O-N 3.07Å; F710-Y714 PolarHBondContact O-N 2.82Å; F710-I745 HydrophobicContact CD1-CG2 4.48Å; F710-I745 HydrophobicContact CE1-CG2 3.74Å; F710-I745 HydrophobicContact CE2-CG2 3.91Å; F710-I745 HydrophobicContact CZ-CG2 3.42Å; F710-I745 VanDerWaalsContact CZ-CG2 3.42Å; F710-D746 HydrophobicContact CZ-CB 4.44Å; F710-L942 HydrophobicContact CD1-CB 4.08Å; F710-L942 HydrophobicContact CE1-CB 4.06Å
711	L	90.2	Very high	89.5	Confident	29 Å²	29	30.2 Å²	30.2	15%	0.152	14%	0.14	C	C	.	.	H	α-helix	trans	-56	-44.9	178.4	173.2	55	0	0	0	113.7	F349 W543 T708 L713 Y714 T715 S944	F349-L711 HydrophobicContact CD2-CD2 3.39Å; F349-L711 HydrophobicContact CE2-CD2 3.6Å; F349-L711 HydrophobicContact CG-CD2 4.11Å; F349-L711 HydrophobicContact CZ-CD2 4.48Å; W543-L711 HydrophobicContact CH2-CD1 3.26Å; W543-L711 HydrophobicContact CH2-CD2 4.31Å; W543-L711 HydrophobicContact CH2-CG 4.42Å; W543-L711 HydrophobicContact CZ2-CD1 3.16Å; T708-L711 WeakPolarHBondContact O-CB 3.49Å; T708-L711 PolarHBondContact O-N 2.81Å; L711-L713 VanDerWaalsContact C-N 3.33Å; L711-Y714 WeakPolarHBondContact O-CB 3.31Å; L711-Y714 PolarHBondContact O-N 2.76Å; L711-T715 WeakPolarHBondContact O-CB 3.38Å; L711-T715 PolarHBondContact O-N 3.03Å; L711-T715 PolarHBondContact O-OG1 2.56Å; L711-S944 PolarHBondContact N-OG 2.75Å
712	D	91.6	Very high	90.8	Very high	52 Å²	52	28.8 Å²	28.8	28%	0.278	14%	0.135	S	C	.	.	H	α-helix	trans	-69.2	-34.9	-179.9	-76.3	-51.4	0	0	0	112.1	F710 T715 H716 S944 L947 F952	F710-D712 PolarHBondContact O-N 2.81Å; D712-T715 PolarHBondContact O-N 2.76Å; D712-H716 VanDerWaalsContact O-CB 3.32Å; D712-H716 WeakPolarHBondContact O-CB 3.12Å; D712-H716 PolarHBondContact O-N 2.93Å; D712-S944 PolarHBondContact N-OG 2.87Å; D712-S944 WeakPolarHBondContact OD2-CB 3.44Å; D712-L947 HydrophobicContact CB-CD2 4.1Å; D712-L947 WeakPolarHBondContact OD2-CD1 3.42Å; D712-F952 HydrophobicContact CB-CE2 3.99Å; D712-F952 HydrophobicContact CB-CZ 3.63Å
713	L	94.6	Very high	92	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.3	-51.4	169.8	164.3	61.3	0	0	0	110.4	I706 F710 L711 T715 H716 L717 I745 L942 F952 L955	I706-L713 HydrophobicContact CD1-CD2 3.84Å; I706-L713 HydrophobicContact CD1-CG 4.02Å; F710-L713 HydrophobicContact CB-CB 4.18Å; F710-L713 HydrophobicContact CB-CD2 4.13Å; F710-L713 HydrophobicContact CD1-CD2 4.26Å; F710-L713 HydrophobicContact CG-CD2 4.39Å; F710-L713 WeakPolarHBondContact O-CB 3.38Å; F710-L713 PolarHBondContact O-N 3.07Å; L711-L713 VanDerWaalsContact C-N 3.33Å; L713-T715 VanDerWaalsContact C-N 3.32Å; L713-T715 PolarHBondContact O-N 2.84Å; L713-H716 WeakPolarHBondContact O-CB 3.24Å; L713-H716 PolarHBondContact O-N 3.3Å; L713-L717 HydrophobicContact CD1-CD1 3.87Å; L713-L717 HydrophobicContact CD1-CD2 4.44Å; L713-L717 HydrophobicContact CD1-CG 3.88Å; L713-L717 HydrophobicContact CG-CD1 4.19Å; L713-L717 WeakPolarHBondContact O-CG 3.18Å; L713-L717 PolarHBondContact O-N 3.27Å; L713-I745 HydrophobicContact CD2-CD1 3.63Å; L713-L942 HydrophobicContact CD2-CB 4.37Å; L713-L942 HydrophobicContact CD2-CD1 4.27Å; L713-F952 HydrophobicContact CB-CD1 4.46Å; L713-F952 HydrophobicContact CB-CE1 3.86Å; L713-F952 HydrophobicContact CB-CZ 4.47Å; L713-F952 HydrophobicContact CD1-CD1 4.36Å; L713-L955 HydrophobicContact CD1-CD2 3.15Å; L713-L955 HydrophobicContact CG-CD2 4.43Å
714	Y	95.1	Very high	93.1	Very high	9 Å²	9	30.6 Å²	30.6	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-56.3	-48	177	175.8	-97.4	0	0	0	112.2	W543 S547 I706 H707 F710 L711 H716 L717 R718 I724	W543-Y714 HydrophobicContact CZ2-CD1 4.44Å; W543-Y714 HydrophobicContact CZ2-CE1 4.47Å; S547-Y714 PolarHBondContact OG-OH 2.84Å; I706-Y714 HydrophobicContact CG1-CD2 4.04Å; I706-Y714 WeakPolarHBondContact O-CB 3.5Å; H707-Y714 AromaticContact CD2-CD2 3.79Å; H707-Y714 AromaticContact CD2-CE2 3.94Å; H707-Y714 AromaticContact CD2-CG 3.85Å; H707-Y714 AromaticContact NE2-CD2 3.57Å; H707-Y714 AromaticContact NE2-CE2 3.31Å; H707-Y714 VanDerWaalsContact NE2-CE2 3.31Å; H707-Y714 WeakPolarHBondContact NE2-CE2 2.78Å; H707-Y714 AromaticContact NE2-CZ 3.66Å; F710-Y714 PolarHBondContact O-N 2.82Å; L711-Y714 WeakPolarHBondContact O-CB 3.31Å; L711-Y714 PolarHBondContact O-N 2.76Å; Y714-H716 VanDerWaalsContact C-N 3.29Å; Y714-H716 PolarHBondContact O-N 3.44Å; Y714-L717 PolarHBondContact O-N 3.24Å; Y714-R718 HydrophobicContact CD1-CG 4.12Å; Y714-R718 HydrophobicContact CD2-CG 4.44Å; Y714-R718 HydrophobicContact CE1-CG 3.7Å; Y714-R718 HydrophobicContact CE2-CG 4.06Å; Y714-R718 HydrophobicContact CG-CG 4.48Å; Y714-R718 WeakPolarHBondContact O-CB 3.19Å; Y714-R718 WeakPolarHBondContact O-CG 3.27Å; Y714-R718 PolarHBondContact O-N 2.65Å; Y714-I724 HydrophobicContact CD2-CB 4.28Å; Y714-I724 HydrophobicContact CD2-CD1 4.13Å; Y714-I724 HydrophobicContact CD2-CG1 4.42Å; Y714-I724 HydrophobicContact CD2-CG2 4.48Å; Y714-I724 HydrophobicContact CE2-CB 4.09Å; Y714-I724 HydrophobicContact CE2-CD1 4.06Å
715	T	93.5	Very high	93.6	Very high	36 Å²	36	30.8 Å²	30.8	22%	0.221	14%	0.144	C	C	.	.	H	α-helix	trans	-59.8	-42	178.8	-61.2	0	0	0	0	111.2	L711 D712 L713 R719	L711-T715 WeakPolarHBondContact O-CB 3.38Å; L711-T715 PolarHBondContact O-N 3.03Å; L711-T715 PolarHBondContact O-OG1 2.56Å; D712-T715 PolarHBondContact O-N 2.76Å; L713-T715 VanDerWaalsContact C-N 3.32Å; L713-T715 PolarHBondContact O-N 2.84Å; T715-R719 WeakPolarHBondContact O-CB 3.24Å; T715-R719 VanDerWaalsContact O-CG 3.28Å; T715-R719 WeakPolarHBondContact O-CG 3.38Å; T715-R719 PolarHBondContact O-N 3.21Å
716	H	95.8	Very high	93.8	Very high	31 Å²	31	32.1 Å²	32.1	14%	0.144	15%	0.152	C	C	.	.	H	α-helix	trans	-62.2	-48.8	174.8	173.8	82.1	0	0	0	112.1	D712 L713 Y714 R718 R719 K720 F952 D956	D712-H716 VanDerWaalsContact O-CB 3.32Å; D712-H716 WeakPolarHBondContact O-CB 3.12Å; D712-H716 PolarHBondContact O-N 2.93Å; L713-H716 WeakPolarHBondContact O-CB 3.24Å; L713-H716 PolarHBondContact O-N 3.3Å; Y714-H716 VanDerWaalsContact C-N 3.29Å; Y714-H716 PolarHBondContact O-N 3.44Å; H716-R718 VanDerWaalsContact C-N 3.35Å; H716-R718 PolarHBondContact O-N 3.1Å; H716-R719 WeakPolarHBondContact O-CB 3.37Å; H716-R719 PolarHBondContact O-N 2.79Å; H716-K720 WeakPolarHBondContact O-CG 3.2Å; H716-K720 PolarHBondContact O-N 2.84Å; H716-K720 VanDerWaalsContact O-N 3.1Å; H716-F952 HydrophobicContact CB-CD2 3.93Å; H716-F952 HydrophobicContact CB-CE2 4.35Å; H716-F952 HydrophobicContact CB-CG 4.24Å; H716-F952 AromaticContact CG-CD2 3.99Å; H716-D956 IonicContact CD2-OD1 3.82Å; H716-D956 IonicContact CE1-OD1 3.64Å; H716-D956 IonicContact CE1-OD2 3.27Å; H716-D956 PolarHBondContact CE1-OD2 3.35Å; H716-D956 VanDerWaalsContact NE2-CG 3.26Å; H716-D956 IonicContact NE2-OD1 3.48Å; H716-D956 PolarHBondContact NE2-OD1 2.78Å; H716-D956 IonicContact NE2-OD2 3.55Å; H716-D956 PolarHBondContact NE2-OD2 3.48Å
717	L	97.5	Very high	93.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-41.5	178.4	-68.2	177.1	0	0	0	112.2	I672 L713 Y714 K720 S721 Y722 I724 L743 L955 L959	I672-L717 HydrophobicContact CD1-CD1 4.24Å; I672-L717 HydrophobicContact CD1-CD2 4.1Å; L713-L717 HydrophobicContact CD1-CD1 3.87Å; L713-L717 HydrophobicContact CD1-CD2 4.44Å; L713-L717 HydrophobicContact CD1-CG 3.88Å; L713-L717 HydrophobicContact CG-CD1 4.19Å; L713-L717 WeakPolarHBondContact O-CG 3.18Å; L713-L717 PolarHBondContact O-N 3.27Å; Y714-L717 PolarHBondContact O-N 3.24Å; L717-K720 CarbonylContact O-C 3.54Å; L717-K720 WeakPolarHBondContact O-CA 3.47Å; L717-K720 WeakPolarHBondContact O-CB 3.39Å; L717-K720 PolarHBondContact O-N 2.86Å; L717-K720 VanDerWaalsContact O-N 3.11Å; L717-S721 PolarHBondContact O-N 3.1Å; L717-Y722 HydrophobicContact CD2-CD2 4.1Å; L717-Y722 PolarHBondContact O-N 2.8Å; L717-Y722 VanDerWaalsContact O-N 3.07Å; L717-I724 HydrophobicContact CB-CD1 3.74Å; L717-I724 HydrophobicContact CB-CG1 4.14Å; L717-I724 HydrophobicContact CD1-CG1 4.04Å; L717-L743 HydrophobicContact CD1-CD1 4.41Å; L717-L955 HydrophobicContact CD2-CD2 4.06Å; L717-L959 HydrophobicContact CD2-CD1 3.47Å; L717-L959 VanDerWaalsContact CD2-CD1 3.47Å
718	R	96.3	Very high	93.9	Very high	49 Å²	49	33.6 Å²	33.6	19%	0.185	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-41.4	174.5	-71.8	-56.2	-56.1	140.2	-1.8	112.3	S547 Q548 Y714 H716 K720 S721 Y722 I724	S547-R718 PolarHBondContact O-NE 2.56Å; S547-R718 VanDerWaalsContact O-NE 3.1Å; S547-R718 PolarHBondContact O-NH2 3.03Å; Q548-R718 VanDerWaalsContact CB-CZ 3.48Å; Y714-R718 HydrophobicContact CD1-CG 4.12Å; Y714-R718 HydrophobicContact CD2-CG 4.44Å; Y714-R718 HydrophobicContact CE1-CG 3.7Å; Y714-R718 HydrophobicContact CE2-CG 4.06Å; Y714-R718 HydrophobicContact CG-CG 4.48Å; Y714-R718 WeakPolarHBondContact O-CB 3.19Å; Y714-R718 WeakPolarHBondContact O-CG 3.27Å; Y714-R718 PolarHBondContact O-N 2.65Å; H716-R718 VanDerWaalsContact C-N 3.35Å; H716-R718 PolarHBondContact O-N 3.1Å; R718-K720 PolarHBondContact O-N 2.78Å; R718-S721 WeakPolarHBondContact O-CA 3.47Å; R718-S721 PolarHBondContact O-N 3.19Å; R718-Y722 WeakPolarHBondContact CD-O 3.32Å; R718-Y722 PolarHBondContact NH1-O 2.89Å; R718-I724 VanDerWaalsContact CD-CD1 3.4Å; R718-I724 HydrophobicContact CG-CD1 3.83Å
719	R	96.2	Very high	94	Very high	203 Å²	203	34.8 Å²	34.8	77%	0.766	17%	0.17	S	C	*	.	H	α-helix	trans	-60.9	-28	173.2	-75	171.4	178.4	163.6	2.9	112.6	T715 H716 S721	T715-R719 WeakPolarHBondContact O-CB 3.24Å; T715-R719 VanDerWaalsContact O-CG 3.28Å; T715-R719 WeakPolarHBondContact O-CG 3.38Å; T715-R719 PolarHBondContact O-N 3.21Å; H716-R719 WeakPolarHBondContact O-CB 3.37Å; H716-R719 PolarHBondContact O-N 2.79Å; R719-S721 VanDerWaalsContact C-N 3.26Å
720	K	95.8	Very high	94.4	Very high	91 Å²	91	35.2 Å²	35.2	40%	0.396	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	7.9	173.8	-63	-73.9	177	144.3	0	113.9	K670 H716 L717 R718 Y722 D956	K670-K720 PolarHBondContact NZ-O 2.79Å; H716-K720 WeakPolarHBondContact O-CG 3.2Å; H716-K720 PolarHBondContact O-N 2.84Å; H716-K720 VanDerWaalsContact O-N 3.1Å; L717-K720 CarbonylContact O-C 3.54Å; L717-K720 WeakPolarHBondContact O-CA 3.47Å; L717-K720 WeakPolarHBondContact O-CB 3.39Å; L717-K720 PolarHBondContact O-N 2.86Å; L717-K720 VanDerWaalsContact O-N 3.11Å; R718-K720 PolarHBondContact O-N 2.78Å; K720-Y722 VanDerWaalsContact C-N 3.27Å; K720-Y722 HydrophobicContact CB-CD2 3.61Å; K720-Y722 HydrophobicContact CB-CE2 3.71Å; K720-Y722 PolarHBondContact O-N 2.73Å; K720-D956 WeakPolarHBondContact CE-OD2 3.39Å; K720-D956 IonicContact NZ-OD2 3.37Å; K720-D956 PolarHBondContact NZ-OD2 3.11Å
721	S	95.6	Very high	94.6	Very high	75 Å²	75	35.2 Å²	35.2	52%	0.524	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	28.4	179.4	-43.4	0	0	0	0	114	L717 R718 R719	L717-S721 PolarHBondContact O-N 3.1Å; R718-S721 WeakPolarHBondContact O-CA 3.47Å; R718-S721 PolarHBondContact O-N 3.19Å; R719-S721 VanDerWaalsContact C-N 3.26Å
722	Y	97.8	Very high	94.7	Very high	16 Å²	16	36.6 Å²	36.6	6%	0.063	18%	0.18	C	C	.	.			trans	-81.6	137	167.6	-69.8	-78	0	0	0	110.2	K670 I672 L717 R718 K720 I724 L959	K670-Y722 HydrophobicContact CD-CD1 3.97Å; K670-Y722 HydrophobicContact CD-CE1 3.96Å; K670-Y722 CarbonylContact O-C 3.58Å; K670-Y722 WeakPolarHBondContact O-CA 3.22Å; I672-Y722 HydrophobicContact CD1-CD1 3.61Å; I672-Y722 HydrophobicContact CD1-CD2 4.33Å; I672-Y722 HydrophobicContact CD1-CE1 4.29Å; I672-Y722 HydrophobicContact CD1-CG 3.65Å; I672-Y722 HydrophobicContact CG1-CD1 3.96Å; I672-Y722 HydrophobicContact CG1-CG 4.36Å; L717-Y722 HydrophobicContact CD2-CD2 4.1Å; L717-Y722 PolarHBondContact O-N 2.8Å; L717-Y722 VanDerWaalsContact O-N 3.07Å; R718-Y722 WeakPolarHBondContact CD-O 3.32Å; R718-Y722 PolarHBondContact NH1-O 2.89Å; K720-Y722 VanDerWaalsContact C-N 3.27Å; K720-Y722 HydrophobicContact CB-CD2 3.61Å; K720-Y722 HydrophobicContact CB-CE2 3.71Å; K720-Y722 PolarHBondContact O-N 2.73Å; Y722-I724 WeakPolarHBondContact O-CD1 3.4Å; Y722-L959 HydrophobicContact CD2-CD1 4.4Å; Y722-L959 HydrophobicContact CE2-CD1 3.96Å
723	F	97.8	Very high	94.7	Very high	32 Å²	32	35.3 Å²	35.3	14%	0.14	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.9	168.5	-68.5	-96.3	0	0	0	108.3	Q548 P549 Y551 V663 P666 K670 I672	Q548-F723 HydrophobicContact CB-CD1 4.33Å; P549-F723 HydrophobicContact CG-CE1 3.92Å; P549-F723 HydrophobicContact CG-CZ 4.47Å; Y551-F723 HydrophobicContact CD1-CD1 4.1Å; Y551-F723 HydrophobicContact CD1-CE1 4.22Å; Y551-F723 HydrophobicContact CE1-CB 4.16Å; Y551-F723 AromaticContact CE1-CD1 3.47Å; Y551-F723 HydrophobicContact CE1-CD1 3.47Å; Y551-F723 VanDerWaalsContact CE1-CD1 3.47Å; Y551-F723 HydrophobicContact CE1-CE1 4.04Å; Y551-F723 AromaticContact CE1-CG 3.99Å; Y551-F723 HydrophobicContact CE1-CG 3.99Å; V663-F723 HydrophobicContact CG2-CE1 4.49Å; P666-F723 HydrophobicContact CB-CD2 3.55Å; P666-F723 HydrophobicContact CB-CE2 3.54Å; P666-F723 HydrophobicContact CB-CG 4.26Å; P666-F723 HydrophobicContact CB-CZ 4.21Å; P666-F723 HydrophobicContact CG-CD1 4Å; P666-F723 HydrophobicContact CG-CD2 3.5Å; P666-F723 VanDerWaalsContact CG-CD2 3.5Å; P666-F723 HydrophobicContact CG-CE1 3.83Å; P666-F723 HydrophobicContact CG-CE2 3.36Å; P666-F723 HydrophobicContact CG-CG 3.81Å; P666-F723 HydrophobicContact CG-CZ 3.52Å; K670-F723 PolarHBondContact O-N 3.42Å; I672-F723 PolarHBondContact N-O 2.89Å
724	I	96.7	Very high	94.7	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.1	-177.6	-54.1	93.9	0	0	0	107.5	Q548 I672 F674 I706 Y714 L717 R718 Y722	Q548-I724 PolarHBondContact NE2-O 2.91Å; Q548-I724 VanDerWaalsContact OE1-N 3.15Å; Q548-I724 PolarHBondContact OE1-O 2.63Å; I672-I724 HydrophobicContact CB-CG1 4.48Å; I672-I724 WeakPolarHBondContact O-CA 3.46Å; F674-I724 HydrophobicContact CB-CG2 4.29Å; I706-I724 HydrophobicContact CG1-CG2 4.3Å; Y714-I724 HydrophobicContact CD2-CB 4.28Å; Y714-I724 HydrophobicContact CD2-CD1 4.13Å; Y714-I724 HydrophobicContact CD2-CG1 4.42Å; Y714-I724 HydrophobicContact CD2-CG2 4.48Å; Y714-I724 HydrophobicContact CE2-CB 4.09Å; Y714-I724 HydrophobicContact CE2-CD1 4.06Å; L717-I724 HydrophobicContact CB-CD1 3.74Å; L717-I724 HydrophobicContact CB-CG1 4.14Å; L717-I724 HydrophobicContact CD1-CG1 4.04Å; R718-I724 VanDerWaalsContact CD-CD1 3.4Å; R718-I724 HydrophobicContact CG-CD1 3.83Å; Y722-I724 WeakPolarHBondContact O-CD1 3.4Å
725	E	95.2	Very high	94.8	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.023	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.7	176.7	-59.9	-179.6	-134.2	0	0	108.2	Y551 M554 Q555 R671 I672 L673 F674 Y739	Y551-E725 VanDerWaalsContact OH-CD 3.27Å; Y551-E725 PolarHBondContact OH-OE1 2.93Å; M554-E725 VanDerWaalsContact CA-OE2 3.25Å; M554-E725 WeakPolarHBondContact CA-OE2 3.42Å; Q555-E725 HydrophobicContact CB-CB 4.35Å; Q555-E725 HydrophobicContact CG-CB 4.25Å; Q555-E725 PolarHBondContact N-OE2 3.38Å; R671-E725 IonicContact CZ-OE1 2.68Å; R671-E725 IonicContact NE-OE1 3.76Å; R671-E725 PolarHBondContact NE-OE1 2.95Å; R671-E725 IonicContact NH2-OE1 2.67Å; R671-E725 PolarHBondContact NH2-OE1 3.34Å; R671-E725 IonicContact NH2-OE2 3.36Å; I672-E725 PolarHBondContact O-N 3.07Å; L673-E725 HydrophobicContact CD1-CB 3.92Å; F674-E725 PolarHBondContact N-O 3.22Å; E725-Y739 HydrophobicContact CB-CE1 4.13Å; E725-Y739 HydrophobicContact CG-CE1 4.13Å; E725-Y739 WeakPolarHBondContact OE1-CE1 3.01Å; E725-Y739 WeakPolarHBondContact OE2-CE1 3.35Å; E725-Y739 PolarHBondContact OE2-OH 3.31Å
726	V	93.9	Very high	94.9	Very high	27 Å²	27	37.7 Å²	37.7	16%	0.164	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.8	-176.1	-174.2	0	0	0	0	108.9	Q676 I706 T728	Q676-V726 HydrophobicContact CB-CG1 3.53Å; Q676-V726 HydrophobicContact CG-CG1 4.02Å; I706-V726 HydrophobicContact CG2-CG2 3.58Å; V726-T728 HydrophobicContact CG1-CG2 3.95Å
727	L	93.9	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	108.3	177.4	-175.2	67.9	0	0	0	109.6	L673 F674 Q676 F677 S729 F731 F734 F742	L673-L727 HydrophobicContact CD1-CB 3.93Å; L673-L727 HydrophobicContact CD2-CB 4.37Å; L673-L727 HydrophobicContact CD2-CD2 4.22Å; L673-L727 HydrophobicContact CG-CB 4.09Å; F674-L727 WeakPolarHBondContact O-CB 3.47Å; F674-L727 PolarHBondContact O-N 2.62Å; Q676-L727 WeakPolarHBondContact CB-O 3.3Å; Q676-L727 PolarHBondContact N-O 3.05Å; F677-L727 PolarHBondContact N-O 3.48Å; L727-S729 WeakPolarHBondContact CG-O 3.44Å; L727-F731 HydrophobicContact CD2-CD1 3.75Å; L727-F731 HydrophobicContact CD2-CE1 4.25Å; L727-F734 HydrophobicContact CD1-CB 4.33Å; L727-F734 HydrophobicContact CD1-CD1 3.96Å; L727-F734 HydrophobicContact CD2-CD1 3.66Å; L727-F734 HydrophobicContact CD2-CE1 3.8Å; L727-F734 HydrophobicContact CG-CD1 4.47Å; L727-F742 HydrophobicContact CD2-CE2 4.1Å; L727-F742 HydrophobicContact CD2-CZ 4.09Å
728	T	90.1	Very high	94.8	Very high	44 Å²	44	40.8 Å²	40.8	27%	0.27	21%	0.209	S	C	.	.			trans	-104.5	23.5	-176.8	70.5	0	0	0	0	112.2	P387 V726	P387-T728 WeakPolarHBondContact O-CG2 3.26Å; V726-T728 HydrophobicContact CG1-CG2 3.95Å
729	S	91.3	Very high	94.8	Very high	25 Å²	25	38.5 Å²	38.5	18%	0.175	20%	0.2	C	C	.	.	S	Bend	trans	-149.8	173.2	-173.4	58	0	0	0	0	109.8	F677 L727 C733	F677-S729 WeakPolarHBondContact CB-O 3.09Å; L727-S729 WeakPolarHBondContact CG-O 3.44Å; S729-C733 WeakPolarHBondContact OG-CB 3.48Å
730	T	93.5	Very high	94.8	Very high	9 Å²	9	29 Å²	29	6%	0.055	17%	0.165	C	C	.	.			trans	-61.7	159.6	174.8	46.3	0	0	0	0	112.7	F677 D732 C733 F752 E755 V1030	F677-T730 HydrophobicContact CD1-CG2 4.18Å; F677-T730 HydrophobicContact CE1-CG2 3.57Å; F677-T730 HydrophobicContact CZ-CG2 3.9Å; T730-D732 WeakPolarHBondContact CB-OD1 3.4Å; T730-D732 PolarHBondContact O-N 2.92Å; T730-D732 VanDerWaalsContact O-N 3.15Å; T730-D732 PolarHBondContact OG1-OD1 3.48Å; T730-C733 WeakPolarHBondContact O-CB 3Å; T730-C733 PolarHBondContact O-N 3.33Å; T730-C733 VanDerWaalsContact O-N 3.13Å; T730-F752 HydrophobicContact CG2-CD2 3.5Å; T730-F752 HydrophobicContact CG2-CE2 3.5Å; T730-F752 VanDerWaalsContact CG2-CE2 3.5Å; T730-E755 WeakPolarHBondContact CA-OE1 3.46Å; T730-E755 VanDerWaalsContact CB-OE1 3.28Å; T730-E755 WeakPolarHBondContact CB-OE1 3.43Å; T730-V1030 HydrophobicContact CG2-CG1 4.42Å
731	F	95.2	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-63.8	-23.4	-170.4	-63.1	-8.6	0	0	0	113.7	D675 H678 L727 C733 F734 F742 I744 F751 E755 K758 L759 L811	D675-F731 WeakPolarHBondContact OD2-CE1 3.02Å; H678-F731 AromaticContact CE1-CD1 3.92Å; H678-F731 AromaticContact CE1-CE1 3.28Å; H678-F731 WeakPolarHBondContact CE1-CE1 3.01Å; H678-F731 AromaticContact CE1-CZ 3.65Å; H678-F731 AromaticContact ND1-CE1 3.48Å; H678-F731 WeakPolarHBondContact ND1-CE1 3.27Å; H678-F731 AromaticContact ND1-CZ 3.8Å; L727-F731 HydrophobicContact CD2-CD1 3.75Å; L727-F731 HydrophobicContact CD2-CE1 4.25Å; F731-C733 PolarHBondContact O-N 3.43Å; F731-C733 VanDerWaalsContact O-N 3.11Å; F731-F734 HydrophobicContact CB-CE1 3.8Å; F731-F734 HydrophobicContact CD1-CE1 4.34Å; F731-F734 HydrophobicContact CG-CE1 4.23Å; F731-F734 WeakPolarHBondContact O-CD1 3.42Å; F731-F734 VanDerWaalsContact O-CE1 3.23Å; F731-F734 WeakPolarHBondContact O-CE1 2.98Å; F731-F734 PolarHBondContact O-N 2.9Å; F731-F742 HydrophobicContact CD1-CE1 4.21Å; F731-F742 AromaticContact CD1-CZ 3.87Å; F731-F742 HydrophobicContact CD1-CZ 3.87Å; F731-F742 HydrophobicContact CD2-CE1 4.35Å; F731-F742 AromaticContact CE1-CE1 3.76Å; F731-F742 HydrophobicContact CE1-CE1 3.76Å; F731-F742 AromaticContact CE1-CZ 3.41Å; F731-F742 HydrophobicContact CE1-CZ 3.41Å; F731-F742 VanDerWaalsContact CE1-CZ 3.41Å; F731-F742 AromaticContact CE2-CE1 3.92Å; F731-F742 HydrophobicContact CE2-CE1 3.92Å; F731-F742 HydrophobicContact CE2-CZ 4.42Å; F731-F742 AromaticContact CZ-CE1 3.6Å; F731-F742 HydrophobicContact CZ-CE1 3.6Å; F731-F742 AromaticContact CZ-CZ 3.73Å; F731-F742 HydrophobicContact CZ-CZ 3.73Å; F731-I744 HydrophobicContact CZ-CD1 4.23Å; F731-F751 HydrophobicContact CE2-CD1 4.27Å; F731-F751 HydrophobicContact CE2-CE1 4.5Å; F731-F751 AromaticContact CZ-CD1 3.98Å; F731-F751 HydrophobicContact CZ-CD1 3.98Å; F731-F751 AromaticContact CZ-CE1 3.88Å; F731-F751 HydrophobicContact CZ-CE1 3.88Å; F731-E755 HydrophobicContact CB-CB 4.3Å; F731-E755 HydrophobicContact CB-CG 4.01Å; F731-E755 WeakPolarHBondContact CD1-OE1 3.4Å; F731-E755 HydrophobicContact CD2-CB 3.63Å; F731-E755 HydrophobicContact CD2-CG 4.14Å; F731-E755 HydrophobicContact CE2-CB 4.17Å; F731-E755 HydrophobicContact CG-CB 4.07Å; F731-E755 HydrophobicContact CG-CG 4.05Å; F731-E755 PolarHBondContact N-OE1 2.83Å; F731-K758 VanDerWaalsContact C-CD 3.4Å; F731-K758 HydrophobicContact CB-CD 3.28Å; F731-K758 WeakPolarHBondContact O-CD 3.3Å; F731-K758 WeakPolarHBondContact O-CE 3.26Å; F731-K758 PolarHBondContact O-NZ 2.99Å; F731-L759 HydrophobicContact CD2-CB 4.19Å; F731-L759 HydrophobicContact CE2-CB 4.39Å; F731-L759 HydrophobicContact CE2-CD2 4.25Å; F731-L811 HydrophobicContact CE2-CD1 4.1Å
732	D	91	Very high	95	Very high	57 Å²	57	21.1 Å²	21.1	31%	0.305	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-61.6	-17.9	176.4	62.8	-49.2	0	0	0	113.6	T730 F734 Y754 C1033	T730-D732 WeakPolarHBondContact CB-OD1 3.4Å; T730-D732 PolarHBondContact O-N 2.92Å; T730-D732 VanDerWaalsContact O-N 3.15Å; T730-D732 PolarHBondContact OG1-OD1 3.48Å; D732-F734 VanDerWaalsContact C-N 3.3Å; D732-F734 PolarHBondContact O-N 2.91Å; D732-Y754 HydrophobicContact CB-CE1 4.18Å; D732-C1033 PolarHBondContact OD2-SG 2.83Å
733	C	92.7	Very high	95	Very high	26 Å²	26	20.4 Å²	20.4	18%	0.176	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-85.5	6	-176.3	-57.1	0	0	0	0	115.4	S729 T730 F731 C1033	S729-C733 WeakPolarHBondContact OG-CB 3.48Å; T730-C733 WeakPolarHBondContact O-CB 3Å; T730-C733 PolarHBondContact O-N 3.33Å; T730-C733 VanDerWaalsContact O-N 3.13Å; F731-C733 PolarHBondContact O-N 3.43Å; F731-C733 VanDerWaalsContact O-N 3.11Å; C733-C1033 WeakPolarHBondContact CA-SG 3.29Å; C733-C1033 HydrophobicContact CB-CB 3.78Å; C733-C1033 WeakPolarHBondContact CB-SG 3.47Å; C733-C1033 WeakPolarHBondContact SG-CA 3.32Å; C733-C1033 WeakPolarHBondContact SG-CB 2.96Å; C733-C1033 CovalentContact SG-SG 2.05Å; C733-C1033 PolarHBondContact SG-SG 2.77Å
734	F	94.8	Very high	95	Very high	11 Å²	11	19 Å²	19	5%	0.048	11%	0.113	C	C	.	.	S	Bend	trans	-132.1	153	171.8	78	-90.4	0	0	0	112.7	L673 L727 F731 D732 A736 Y739 K758 L768	L673-F734 HydrophobicContact CD2-CB 4.11Å; L673-F734 HydrophobicContact CD2-CD1 3.63Å; L673-F734 HydrophobicContact CD2-CD2 3.54Å; L673-F734 HydrophobicContact CD2-CE1 3.84Å; L673-F734 HydrophobicContact CD2-CE2 3.77Å; L673-F734 HydrophobicContact CD2-CG 3.48Å; L673-F734 VanDerWaalsContact CD2-CG 3.48Å; L673-F734 HydrophobicContact CD2-CZ 3.92Å; L727-F734 HydrophobicContact CD1-CB 4.33Å; L727-F734 HydrophobicContact CD1-CD1 3.96Å; L727-F734 HydrophobicContact CD2-CD1 3.66Å; L727-F734 HydrophobicContact CD2-CE1 3.8Å; L727-F734 HydrophobicContact CG-CD1 4.47Å; F731-F734 HydrophobicContact CB-CE1 3.8Å; F731-F734 HydrophobicContact CD1-CE1 4.34Å; F731-F734 HydrophobicContact CG-CE1 4.23Å; F731-F734 WeakPolarHBondContact O-CD1 3.42Å; F731-F734 VanDerWaalsContact O-CE1 3.23Å; F731-F734 WeakPolarHBondContact O-CE1 2.98Å; F731-F734 PolarHBondContact O-N 2.9Å; D732-F734 VanDerWaalsContact C-N 3.3Å; D732-F734 PolarHBondContact O-N 2.91Å; F734-A736 HydrophobicContact CE2-CB 4Å; F734-Y739 HydrophobicContact CB-CE2 4.19Å; F734-Y739 AromaticContact CD2-CD2 3.95Å; F734-Y739 HydrophobicContact CD2-CD2 3.95Å; F734-Y739 AromaticContact CD2-CE2 3.99Å; F734-Y739 HydrophobicContact CD2-CE2 3.99Å; F734-Y739 HydrophobicContact CG-CE2 4.49Å; F734-K758 PolarHBondContact O-NZ 3.46Å; F734-L768 HydrophobicContact CE2-CD2 4.02Å; F734-L768 HydrophobicContact CZ-CD2 4.13Å
735	N	95.3	Very high	94.9	Very high	83 Å²	83	18.7 Å²	18.7	44%	0.444	11%	0.111	S	C	.	.			trans	-95.7	110.1	171.5	180	-5.4	0	0	0	109.7	S737 N738 Y739	N735-S737 PolarHBondContact O-N 3.32Å; N735-S737 VanDerWaalsContact O-N 3.14Å; N735-S737 VanDerWaalsContact OD1-CB 3.25Å; N735-S737 WeakPolarHBondContact OD1-CB 3.33Å; N735-S737 PolarHBondContact OD1-N 2.98Å; N735-S737 PolarHBondContact OD1-OG 2.73Å; N735-N738 VanDerWaalsContact O-CB 3.31Å; N735-N738 WeakPolarHBondContact O-CB 2.84Å; N735-N738 PolarHBondContact O-N 3.22Å; N735-N738 VanDerWaalsContact O-N 3.09Å; N735-Y739 WeakPolarHBondContact O-CD2 2.91Å
736	A	96.4	Very high	94.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-56.9	-27.1	179.5	0	0	0	0	0	115.2	F734 N738 Y739 D762 K766 L768	F734-A736 HydrophobicContact CE2-CB 4Å; A736-N738 PolarHBondContact O-N 2.93Å; A736-Y739 PolarHBondContact O-N 2.97Å; A736-Y739 VanDerWaalsContact O-N 3.07Å; A736-Y739 VanDerWaalsContact O-O 3.13Å; A736-D762 HydrophobicContact CB-CB 3.5Å; A736-D762 WeakPolarHBondContact CB-OD2 2.99Å; A736-K766 HydrophobicContact CB-CB 3.85Å; A736-K766 HydrophobicContact CB-CG 4.31Å; A736-L768 HydrophobicContact CB-CB 4.09Å; A736-L768 HydrophobicContact CB-CD1 4.48Å; A736-L768 HydrophobicContact CB-CD2 4.03Å; A736-L768 HydrophobicContact CB-CG 4.45Å
737	S	95	Very high	94.8	Very high	55 Å²	55	17.2 Å²	17.2	39%	0.385	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-59.2	-24.2	178.4	-43.9	0	0	0	0	112.2	N735	N735-S737 PolarHBondContact O-N 3.32Å; N735-S737 VanDerWaalsContact O-N 3.14Å; N735-S737 VanDerWaalsContact OD1-CB 3.25Å; N735-S737 WeakPolarHBondContact OD1-CB 3.33Å; N735-S737 PolarHBondContact OD1-N 2.98Å; N735-S737 PolarHBondContact OD1-OG 2.73Å
738	N	95.7	Very high	94.7	Very high	41 Å²	41	17.2 Å²	17.2	22%	0.219	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-77.6	-23.2	-179.1	-67.7	-10.3	0	0	0	113.5	R671 N735 A736	R671-N738 VanDerWaalsContact CD-O 3.27Å; R671-N738 WeakPolarHBondContact CD-O 3.37Å; R671-N738 VanDerWaalsContact CZ-O 3.23Å; R671-N738 PolarHBondContact NE-O 2.89Å; R671-N738 PolarHBondContact NH1-O 2.83Å; N735-N738 VanDerWaalsContact O-CB 3.31Å; N735-N738 WeakPolarHBondContact O-CB 2.84Å; N735-N738 PolarHBondContact O-N 3.22Å; N735-N738 VanDerWaalsContact O-N 3.09Å; A736-N738 PolarHBondContact O-N 2.93Å
739	Y	97	Very high	94.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.			trans	-115.4	141	-167.9	-59	-84.6	0	0	0	111.2	Q555 R668 R671 L673 E725 F734 N735 A736	Q555-Y739 WeakPolarHBondContact CG-OH 3.39Å; Q555-Y739 PolarHBondContact NE2-OH 2.64Å; Q555-Y739 VanDerWaalsContact NE2-OH 3.15Å; R668-Y739 PolarHBondContact NE-O 3.36Å; R668-Y739 PolarHBondContact NH2-O 3.49Å; R671-Y739 HydrophobicContact CB-CD1 4.22Å; L673-Y739 HydrophobicContact CB-CD1 3.69Å; L673-Y739 HydrophobicContact CB-CE1 3.94Å; L673-Y739 HydrophobicContact CB-CG 4.04Å; L673-Y739 HydrophobicContact CD1-CE1 3.89Å; L673-Y739 HydrophobicContact CD2-CD2 4.33Å; L673-Y739 HydrophobicContact CD2-CE2 4.27Å; L673-Y739 HydrophobicContact CG-CE1 4.38Å; E725-Y739 HydrophobicContact CB-CE1 4.13Å; E725-Y739 HydrophobicContact CG-CE1 4.13Å; E725-Y739 WeakPolarHBondContact OE1-CE1 3.01Å; E725-Y739 WeakPolarHBondContact OE2-CE1 3.35Å; E725-Y739 PolarHBondContact OE2-OH 3.31Å; F734-Y739 HydrophobicContact CB-CE2 4.19Å; F734-Y739 AromaticContact CD2-CD2 3.95Å; F734-Y739 HydrophobicContact CD2-CD2 3.95Å; F734-Y739 AromaticContact CD2-CE2 3.99Å; F734-Y739 HydrophobicContact CD2-CE2 3.99Å; F734-Y739 HydrophobicContact CG-CE2 4.49Å; N735-Y739 WeakPolarHBondContact O-CD2 2.91Å; A736-Y739 PolarHBondContact O-N 2.97Å; A736-Y739 VanDerWaalsContact O-N 3.07Å; A736-Y739 VanDerWaalsContact O-O 3.13Å
740	G	95.3	Very high	94.8	Very high	4 Å²	4	14.3 Å²	14.3	4%	0.041	8%	0.083	C	C	.	.	S	Bend	trans	-85.9	-30.8	174.8	0	0	0	0	0	112.6	R668 R671 S769	R668-G740 VanDerWaalsContact O-CA 3.23Å; R668-G740 WeakPolarHBondContact O-CA 3.33Å; R668-G740 PolarHBondContact O-N 3.49Å; R671-G740 PolarHBondContact O-N 2.98Å; R671-G740 VanDerWaalsContact O-N 3.09Å; G740-S769 WeakPolarHBondContact O-CB 3.41Å; G740-S769 PolarHBondContact O-N 3.2Å
741	T	97.8	Very high	94.9	Very high	1 Å²	1	14 Å²	14	1%	0.006	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	137.2	-177.4	-60.4	0	0	0	0	111	R671 I672 L673 L743 S769 I771 L959 S962	R671-T741 PolarHBondContact O-N 2.74Å; I672-T741 WeakPolarHBondContact CA-O 3.06Å; L673-T741 PolarHBondContact N-O 3.05Å; T741-L743 HydrophobicContact CG2-CD2 3.76Å; T741-L743 HydrophobicContact CG2-CG 4.45Å; T741-S769 CarbonylContact C-O 3.57Å; T741-S769 VanDerWaalsContact CA-O 3.28Å; T741-S769 WeakPolarHBondContact CA-O 3.08Å; T741-I771 HydrophobicContact CG2-CB 4.48Å; T741-I771 HydrophobicContact CG2-CD1 3.67Å; T741-I771 HydrophobicContact CG2-CG1 3.81Å; T741-L959 HydrophobicContact CG2-CD2 3.93Å; T741-S962 PolarHBondContact OG1-OG 2.98Å
742	F	98.5	Very high	94.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.5	168.9	-172.4	-142.1	0	0	0	109	L673 D675 L727 F731 I744 L759 L768 S769 L770 I771	L673-F742 HydrophobicContact CB-CD2 3.81Å; L673-F742 HydrophobicContact CB-CE2 4.41Å; L673-F742 HydrophobicContact CD2-CD2 3.85Å; L673-F742 HydrophobicContact CD2-CE2 3.9Å; L673-F742 HydrophobicContact CG-CD2 3.84Å; L673-F742 HydrophobicContact CG-CE2 3.95Å; L673-F742 CarbonylContact O-C 3.57Å; L673-F742 WeakPolarHBondContact O-CA 3.48Å; L673-F742 WeakPolarHBondContact O-CD2 3.33Å; D675-F742 HydrophobicContact CB-CE2 3.85Å; D675-F742 HydrophobicContact CB-CZ 3.78Å; L727-F742 HydrophobicContact CD2-CE2 4.1Å; L727-F742 HydrophobicContact CD2-CZ 4.09Å; F731-F742 HydrophobicContact CD1-CE1 4.21Å; F731-F742 AromaticContact CD1-CZ 3.87Å; F731-F742 HydrophobicContact CD1-CZ 3.87Å; F731-F742 HydrophobicContact CD2-CE1 4.35Å; F731-F742 AromaticContact CE1-CE1 3.76Å; F731-F742 HydrophobicContact CE1-CE1 3.76Å; F731-F742 AromaticContact CE1-CZ 3.41Å; F731-F742 HydrophobicContact CE1-CZ 3.41Å; F731-F742 VanDerWaalsContact CE1-CZ 3.41Å; F731-F742 AromaticContact CE2-CE1 3.92Å; F731-F742 HydrophobicContact CE2-CE1 3.92Å; F731-F742 HydrophobicContact CE2-CZ 4.42Å; F731-F742 AromaticContact CZ-CE1 3.6Å; F731-F742 HydrophobicContact CZ-CE1 3.6Å; F731-F742 AromaticContact CZ-CZ 3.73Å; F731-F742 HydrophobicContact CZ-CZ 3.73Å; F742-I744 HydrophobicContact CD1-CD1 4.37Å; F742-I744 HydrophobicContact CD1-CG1 4.27Å; F742-I744 HydrophobicContact CE1-CD1 3.94Å; F742-I744 HydrophobicContact CE1-CG1 3.96Å; F742-I744 HydrophobicContact CZ-CG1 4.29Å; F742-L759 HydrophobicContact CD1-CD1 3.86Å; F742-L759 HydrophobicContact CE1-CD1 4.19Å; F742-L768 HydrophobicContact CB-CD1 4.04Å; F742-L768 HydrophobicContact CB-CD2 3.8Å; F742-L768 HydrophobicContact CB-CG 3.96Å; F742-L768 HydrophobicContact CD1-CD2 4.35Å; F742-L768 HydrophobicContact CG-CD2 4.32Å; F742-S769 PolarHBondContact N-O 3.47Å; F742-L770 HydrophobicContact CB-CD1 4.49Å; F742-L770 HydrophobicContact CD1-CD1 3.96Å; F742-I771 PolarHBondContact O-N 2.87Å
743	L	98	Very high	95	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.7	178.9	-60.9	-175	0	0	0	109.1	I672 L673 F674 D675 L717 T741 I745 I771 L955	I672-L743 HydrophobicContact CG2-CD1 3.45Å; I672-L743 VanDerWaalsContact CG2-CD1 3.45Å; I672-L743 HydrophobicContact CG2-CG 3.54Å; L673-L743 PolarHBondContact O-N 2.78Å; F674-L743 HydrophobicContact CD2-CB 4.33Å; D675-L743 PolarHBondContact N-O 3.44Å; L717-L743 HydrophobicContact CD1-CD1 4.41Å; T741-L743 HydrophobicContact CG2-CD2 3.76Å; T741-L743 HydrophobicContact CG2-CG 4.45Å; L743-I745 HydrophobicContact CB-CD1 4.37Å; L743-I745 HydrophobicContact CB-CG1 4.43Å; L743-I745 HydrophobicContact CD1-CD1 4.3Å; L743-I771 WeakPolarHBondContact CA-O 3.09Å; L743-I771 HydrophobicContact CD2-CB 3.62Å; L743-I771 HydrophobicContact CD2-CD1 3.95Å; L743-I771 HydrophobicContact CD2-CG1 4.17Å; L743-I771 HydrophobicContact CD2-CG2 4.11Å; L743-L955 HydrophobicContact CD2-CD1 4.38Å
744	I	97.7	Very high	94.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112	166.2	-56.6	-179.3	0	0	0	105.3	D675 F731 F742 P747 L770 I771 V772 F773 L811	D675-I744 HydrophobicContact CB-CG1 4.25Å; F731-I744 HydrophobicContact CZ-CD1 4.23Å; F742-I744 HydrophobicContact CD1-CD1 4.37Å; F742-I744 HydrophobicContact CD1-CG1 4.27Å; F742-I744 HydrophobicContact CE1-CD1 3.94Å; F742-I744 HydrophobicContact CE1-CG1 3.96Å; F742-I744 HydrophobicContact CZ-CG1 4.29Å; I744-P747 HydrophobicContact CG2-CB 3.82Å; I744-P747 HydrophobicContact CG2-CG 3.64Å; I744-L770 HydrophobicContact CD1-CD1 3.83Å; I744-L770 HydrophobicContact CG1-CD1 4.06Å; I744-I771 PolarHBondContact N-O 3.27Å; I744-V772 HydrophobicContact CB-CG2 4.36Å; I744-V772 CarbonylContact O-C 3.5Å; I744-V772 VanDerWaalsContact O-CA 3.26Å; I744-V772 WeakPolarHBondContact O-CA 3.35Å; I744-F773 PolarHBondContact O-N 3.41Å; I744-L811 HydrophobicContact CD1-CD2 3.57Å
745	I	95.5	Very high	95	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.7	-178.8	-61	171.6	0	0	0	105.4	F674 F710 L713 L743 F773 L942	F674-I745 HydrophobicContact CD2-CD1 4.24Å; F674-I745 HydrophobicContact CE2-CB 4.04Å; F674-I745 HydrophobicContact CE2-CD1 3.82Å; F674-I745 HydrophobicContact CE2-CG1 4.22Å; F710-I745 HydrophobicContact CD1-CG2 4.48Å; F710-I745 HydrophobicContact CE1-CG2 3.74Å; F710-I745 HydrophobicContact CE2-CG2 3.91Å; F710-I745 HydrophobicContact CZ-CG2 3.42Å; F710-I745 VanDerWaalsContact CZ-CG2 3.42Å; L713-I745 HydrophobicContact CD2-CD1 3.63Å; L743-I745 HydrophobicContact CB-CD1 4.37Å; L743-I745 HydrophobicContact CB-CG1 4.43Å; L743-I745 HydrophobicContact CD1-CD1 4.3Å; I745-F773 WeakPolarHBondContact CA-O 3.42Å; I745-F773 HydrophobicContact CB-CB 4.44Å; I745-F773 HydrophobicContact CG1-CB 4.2Å; I745-F773 HydrophobicContact CG1-CD2 4.43Å; I745-F773 HydrophobicContact CG2-CB 4.11Å; I745-L942 HydrophobicContact CD1-CD1 3.92Å; I745-L942 HydrophobicContact CG1-CD1 4.42Å; I745-L942 HydrophobicContact CG2-CD1 4.34Å
746	D	92.4	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	48	62.3	178.5	-152.8	-1.1	0	0	0	115.1	D690 F710 E748 F773 G802 S803	D690-D746 VanDerWaalsContact OD1-OD2 3.07Å; F710-D746 HydrophobicContact CZ-CB 4.44Å; D746-E748 PolarHBondContact O-N 3.01Å; D746-F773 PolarHBondContact N-O 2.82Å; D746-G802 VanDerWaalsContact OD1-C 3.3Å; D746-S803 WeakPolarHBondContact OD1-CB 3.49Å
747	P	94.3	Very high	95	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.111	C	C	.	.			trans	-78.3	120.7	176.4	31.1	-33.3	0	0	0	109.9	H678 I744 F751 S803 N804 L808	H678-P747 HydrophobicContact CB-CB 4.46Å; I744-P747 HydrophobicContact CG2-CB 3.82Å; I744-P747 HydrophobicContact CG2-CG 3.64Å; P747-F751 HydrophobicContact CB-CE2 4.35Å; P747-F751 HydrophobicContact CB-CZ 3.75Å; P747-F751 HydrophobicContact CG-CZ 4.38Å; P747-S803 WeakPolarHBondContact CD-OG 3.27Å; P747-S803 CarbonylContact O-C 3.23Å; P747-S803 WeakPolarHBondContact O-CA 3.31Å; P747-S803 PolarHBondContact O-OG 2.96Å; P747-N804 PolarHBondContact O-N 2.89Å; P747-L808 HydrophobicContact CG-CD1 4.09Å; P747-L808 HydrophobicContact CG-CD2 4.06Å; P747-L808 HydrophobicContact CG-CG 4.48Å
748	E	91.5	Very high	95	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.098	C	C	.	.			trans	-106.9	-12.9	-179.8	-63.6	176.3	119.6	0	0	112.9	H678 I680 I687 D746 T800 G802 N804	H678-E748 PolarHBondContact O-N 3.45Å; I680-E748 WeakPolarHBondContact CA-OE2 3.5Å; I680-E748 WeakPolarHBondContact CB-OE2 3.37Å; I680-E748 HydrophobicContact CD1-CB 3.63Å; I680-E748 HydrophobicContact CD1-CG 4.45Å; I680-E748 HydrophobicContact CG1-CB 3.74Å; I680-E748 VanDerWaalsContact CG1-OE2 3.25Å; I680-E748 WeakPolarHBondContact CG1-OE2 3.25Å; I680-E748 PolarHBondContact N-OE2 2.7Å; I687-E748 WeakPolarHBondContact CG2-OE1 3.32Å; D746-E748 PolarHBondContact O-N 3.01Å; E748-T800 HydrophobicContact CB-CG2 4.12Å; E748-T800 HydrophobicContact CG-CG2 4.4Å; E748-G802 WeakPolarHBondContact CG-O 3.46Å; E748-N804 WeakPolarHBondContact O-CB 3.45Å
749	E	91.1	Very high	95.1	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.033	9%	0.088	C	C	.	.	S	Bend	trans	-94.7	161.2	-178.8	-175.1	55.2	-80.9	0	0	112.3	H678 S1005 N1006 V1007	H678-E749 HydrophobicContact CB-CB 4.05Å; H678-E749 WeakPolarHBondContact O-CB 3.2Å; H678-E749 PolarHBondContact O-N 3.17Å; E749-S1005 WeakPolarHBondContact OE1-CB 3.47Å; E749-S1005 PolarHBondContact OE1-OG 3.18Å; E749-S1005 WeakPolarHBondContact OE2-CA 3.43Å; E749-S1005 WeakPolarHBondContact OE2-CB 3.38Å; E749-S1005 PolarHBondContact OE2-OG 2.95Å; E749-N1006 PolarHBondContact OE2-N 3.21Å; E749-V1007 HydrophobicContact CG-CB 4.37Å; E749-V1007 HydrophobicContact CG-CG2 3.78Å
750	E	92.8	Very high	95.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.098	C	C	.	.			trans	-72.8	157.3	168.2	-66.4	-64.6	163.7	0	0	112.6	H678 N804 A807 R995 V1007 I1008 L1022	H678-E750 PolarHBondContact CD2-O 3.08Å; H678-E750 VanDerWaalsContact CD2-O 3.23Å; E750-N804 PolarHBondContact OE1-ND2 3.44Å; E750-N804 VanDerWaalsContact OE1-ND2 3.14Å; E750-A807 WeakPolarHBondContact OE2-CB 3.39Å; E750-R995 IonicContact OE1-CZ 3.96Å; E750-R995 IonicContact OE1-NE 3.91Å; E750-R995 PolarHBondContact OE1-NE 2.91Å; E750-R995 IonicContact OE1-NH2 3.86Å; E750-R995 IonicContact OE2-CZ 3.35Å; E750-R995 IonicContact OE2-NE 3.2Å; E750-R995 PolarHBondContact OE2-NE 2.77Å; E750-R995 IonicContact OE2-NH2 3.72Å; E750-R995 PolarHBondContact OE2-NH2 3.05Å; E750-V1007 HydrophobicContact CB-CB 4.26Å; E750-V1007 HydrophobicContact CB-CG1 3.92Å; E750-V1007 VanDerWaalsContact O-CG2 3.3Å; E750-V1007 WeakPolarHBondContact O-CG2 3.43Å; E750-I1008 HydrophobicContact CB-CD1 4.45Å; E750-I1008 HydrophobicContact CB-CG1 4.2Å; E750-I1008 HydrophobicContact CG-CD1 3.52Å; E750-I1008 HydrophobicContact CG-CG1 3.8Å; E750-L1022 HydrophobicContact CG-CD1 3.87Å
751	F	94.8	Very high	95.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	11%	0.111	C	C	.	.			trans	-104.8	142.2	173.8	-60.7	-85.8	0	0	0	110.6	H678 F731 P747 I756 A807 L811 Y1027	H678-F751 HydrophobicContact CB-CE1 3.79Å; H678-F751 HydrophobicContact CB-CZ 4.12Å; H678-F751 AromaticContact CD2-CD1 3.44Å; H678-F751 VanDerWaalsContact CD2-CD1 3.44Å; H678-F751 WeakPolarHBondContact CD2-CD1 3.31Å; H678-F751 AromaticContact CD2-CE1 3.59Å; H678-F751 AromaticContact CE1-CD1 3.56Å; H678-F751 AromaticContact CE1-CE1 3.77Å; H678-F751 AromaticContact CG-CD1 3.69Å; H678-F751 AromaticContact CG-CE1 3.33Å; H678-F751 AromaticContact ND1-CD1 3.77Å; H678-F751 AromaticContact ND1-CE1 3.47Å; H678-F751 WeakPolarHBondContact ND1-CE1 3.27Å; H678-F751 AromaticContact NE2-CD1 3.38Å; H678-F751 WeakPolarHBondContact NE2-CD1 3.36Å; H678-F751 AromaticContact NE2-CE1 3.87Å; F731-F751 HydrophobicContact CE2-CD1 4.27Å; F731-F751 HydrophobicContact CE2-CE1 4.5Å; F731-F751 AromaticContact CZ-CD1 3.98Å; F731-F751 HydrophobicContact CZ-CD1 3.98Å; F731-F751 AromaticContact CZ-CE1 3.88Å; F731-F751 HydrophobicContact CZ-CE1 3.88Å; P747-F751 HydrophobicContact CB-CE2 4.35Å; P747-F751 HydrophobicContact CB-CZ 3.75Å; P747-F751 HydrophobicContact CG-CZ 4.38Å; F751-I756 HydrophobicContact CB-CG1 4.47Å; F751-A807 HydrophobicContact CD2-CB 4.07Å; F751-A807 HydrophobicContact CE2-CB 4.27Å; F751-L811 HydrophobicContact CB-CD1 4.36Å; F751-L811 HydrophobicContact CD1-CD1 4.13Å; F751-L811 HydrophobicContact CD1-CD2 4.06Å; F751-L811 HydrophobicContact CD2-CB 3.91Å; F751-L811 HydrophobicContact CD2-CD2 4.23Å; F751-L811 HydrophobicContact CD2-CG 4.46Å; F751-L811 HydrophobicContact CE1-CD2 3.77Å; F751-L811 HydrophobicContact CE2-CB 4.2Å; F751-L811 HydrophobicContact CE2-CD2 3.96Å; F751-L811 HydrophobicContact CG-CB 4.27Å; F751-L811 HydrophobicContact CG-CD1 4.08Å; F751-L811 HydrophobicContact CG-CD2 4.29Å; F751-L811 HydrophobicContact CG-CG 4.44Å; F751-L811 HydrophobicContact CZ-CD2 3.72Å; F751-Y1027 WeakPolarHBondContact O-CE1 3.36Å
752	F	94.7	Very high	95.2	Very high	10 Å²	10	23.9 Å²	23.9	4%	0.044	11%	0.114	C	C	.	.			trans	-66	143.5	171.6	-71	-77.7	0	0	0	110.1	F677 T730 Y754 E755 I756 V1007 Y1027 Y1028 V1030	F677-F752 HydrophobicContact CE1-CE2 4.13Å; F677-F752 HydrophobicContact CZ-CE2 4.37Å; T730-F752 HydrophobicContact CG2-CD2 3.5Å; T730-F752 HydrophobicContact CG2-CE2 3.5Å; T730-F752 VanDerWaalsContact CG2-CE2 3.5Å; F752-Y754 PolarHBondContact O-N 3.32Å; F752-E755 HydrophobicContact CB-CG 4.06Å; F752-E755 WeakPolarHBondContact CB-OE2 3.21Å; F752-E755 VanDerWaalsContact CD2-OE2 3.29Å; F752-E755 WeakPolarHBondContact CD2-OE2 3.24Å; F752-E755 PolarHBondContact N-OE2 2.66Å; F752-E755 WeakPolarHBondContact O-CB 3.13Å; F752-E755 PolarHBondContact O-N 2.85Å; F752-I756 PolarHBondContact O-N 2.91Å; F752-V1007 HydrophobicContact CD1-CG1 3.93Å; F752-V1007 HydrophobicContact CD2-CG1 4.13Å; F752-V1007 HydrophobicContact CD2-CG2 4.1Å; F752-V1007 HydrophobicContact CE1-CB 4.43Å; F752-V1007 HydrophobicContact CE1-CG1 3.86Å; F752-V1007 HydrophobicContact CE2-CB 4.2Å; F752-V1007 HydrophobicContact CE2-CG1 4.1Å; F752-V1007 HydrophobicContact CE2-CG2 3.66Å; F752-V1007 HydrophobicContact CG-CG1 4.06Å; F752-V1007 HydrophobicContact CZ-CB 4.09Å; F752-V1007 HydrophobicContact CZ-CG1 3.97Å; F752-V1007 HydrophobicContact CZ-CG2 4.02Å; F752-Y1027 AromaticContact CD1-CD1 3.93Å; F752-Y1027 HydrophobicContact CD1-CD1 3.93Å; F752-Y1027 HydrophobicContact CD1-CG 4.34Å; F752-Y1027 HydrophobicContact CE1-CD1 4.37Å; F752-Y1028 VanDerWaalsContact CE1-O 3.23Å; F752-Y1028 WeakPolarHBondContact CE1-O 3.5Å; F752-V1030 HydrophobicContact CB-CG2 4.35Å; F752-V1030 HydrophobicContact CD1-CG2 3.93Å; F752-V1030 HydrophobicContact CD2-CG2 4.33Å; F752-V1030 HydrophobicContact CE1-CG2 4.3Å; F752-V1030 HydrophobicContact CG-CG2 3.95Å
753	P	92.9	Very high	95.1	Very high	47 Å²	47	23.9 Å²	23.9	31%	0.305	11%	0.114	S	C	.	.	H	α-helix	trans	-54.3	-33.6	178.2	-28.7	35.4	0	0	0	113.7	E755 I756 E757 Y1027	P753-E755 VanDerWaalsContact C-N 3.34Å; P753-E755 PolarHBondContact O-N 3.13Å; P753-I756 WeakPolarHBondContact O-CB 3.3Å; P753-I756 PolarHBondContact O-N 2.64Å; P753-E757 PolarHBondContact O-N 2.03Å; P753-Y1027 HydrophobicContact CG-CD2 4.15Å; P753-Y1027 HydrophobicContact CG-CE1 4.38Å; P753-Y1027 HydrophobicContact CG-CE2 3.76Å
754	Y	92.1	Very high	94.9	Very high	132 Å²	132	24.1 Å²	24.1	52%	0.518	12%	0.116	S	C	.	.	H	α-helix	trans	-68	-31.4	176.8	-170.8	-100	0	0	0	113.3	D732 F752 I756 E757 K758	D732-Y754 HydrophobicContact CB-CE1 4.18Å; F752-Y754 PolarHBondContact O-N 3.32Å; Y754-I756 VanDerWaalsContact C-N 3.3Å; Y754-E757 PolarHBondContact O-N 3.42Å; Y754-K758 HydrophobicContact CD1-CB 4.5Å; Y754-K758 HydrophobicContact CE1-CB 4.33Å; Y754-K758 WeakPolarHBondContact O-CB 3.23Å; Y754-K758 PolarHBondContact O-N 3.2Å
755	E	96.1	Very high	94.7	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-33.8	177.4	-69.1	179.9	117.1	0	0	111.6	H678 T730 F731 F752 P753 K758 L759	H678-E755 IonicContact CE1-OE1 2.82Å; H678-E755 PolarHBondContact CE1-OE1 3.02Å; H678-E755 VanDerWaalsContact CE1-OE1 3.27Å; H678-E755 IonicContact CE1-OE2 3.6Å; H678-E755 IonicContact NE2-OE1 3.82Å; H678-E755 IonicContact NE2-OE2 2.74Å; H678-E755 PolarHBondContact NE2-OE2 3.06Å; T730-E755 WeakPolarHBondContact CA-OE1 3.46Å; T730-E755 VanDerWaalsContact CB-OE1 3.28Å; T730-E755 WeakPolarHBondContact CB-OE1 3.43Å; F731-E755 HydrophobicContact CB-CB 4.3Å; F731-E755 HydrophobicContact CB-CG 4.01Å; F731-E755 WeakPolarHBondContact CD1-OE1 3.4Å; F731-E755 HydrophobicContact CD2-CB 3.63Å; F731-E755 HydrophobicContact CD2-CG 4.14Å; F731-E755 HydrophobicContact CE2-CB 4.17Å; F731-E755 HydrophobicContact CG-CB 4.07Å; F731-E755 HydrophobicContact CG-CG 4.05Å; F731-E755 PolarHBondContact N-OE1 2.83Å; F752-E755 HydrophobicContact CB-CG 4.06Å; F752-E755 WeakPolarHBondContact CB-OE2 3.21Å; F752-E755 VanDerWaalsContact CD2-OE2 3.29Å; F752-E755 WeakPolarHBondContact CD2-OE2 3.24Å; F752-E755 PolarHBondContact N-OE2 2.66Å; F752-E755 WeakPolarHBondContact O-CB 3.13Å; F752-E755 PolarHBondContact O-N 2.85Å; P753-E755 VanDerWaalsContact C-N 3.34Å; P753-E755 PolarHBondContact O-N 3.13Å; E755-K758 PolarHBondContact O-N 2.89Å; E755-L759 WeakPolarHBondContact O-CB 3.21Å; E755-L759 PolarHBondContact O-N 2.85Å
756	I	95.9	Very high	94.6	Very high	25 Å²	25	34.1 Å²	34.1	13%	0.128	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-50.6	174.7	-53	178.3	0	0	0	110.1	F751 F752 P753 Y754 F760 E810 L811 P814	F751-I756 HydrophobicContact CB-CG1 4.47Å; F752-I756 PolarHBondContact O-N 2.91Å; P753-I756 WeakPolarHBondContact O-CB 3.3Å; P753-I756 PolarHBondContact O-N 2.64Å; Y754-I756 VanDerWaalsContact C-N 3.3Å; I756-F760 WeakPolarHBondContact O-CB 3.45Å; I756-F760 PolarHBondContact O-N 2.94Å; I756-F760 VanDerWaalsContact O-N 3.08Å; I756-E810 HydrophobicContact CD1-CB 4.22Å; I756-L811 HydrophobicContact CG1-CD1 4.06Å; I756-P814 HydrophobicContact CG2-CG 3.53Å
757	E	95.2	Very high	94.6	Very high	127 Å²	127	34.3 Å²	34.3	59%	0.593	16%	0.163	S	C	*	.	H	α-helix	trans	-61.2	-47	177	-66.7	-179.5	178.5	0	0	111.5	P753 Y754 F760 V761	P753-E757 PolarHBondContact O-N 2.03Å; Y754-E757 PolarHBondContact O-N 3.42Å; E757-F760 WeakPolarHBondContact O-CB 3.32Å; E757-F760 PolarHBondContact O-N 2.57Å; E757-V761 WeakPolarHBondContact O-CG2 3.24Å; E757-V761 PolarHBondContact O-N 2.85Å
758	K	96.3	Very high	94.7	Very high	26 Å²	26	34.3 Å²	34.3	11%	0.113	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-39.8	-177.8	174.8	-111.1	150.2	58.6	0	112.2	F731 F734 Y754 E755 F760 V761 D762	F731-K758 VanDerWaalsContact C-CD 3.4Å; F731-K758 HydrophobicContact CB-CD 3.28Å; F731-K758 WeakPolarHBondContact O-CD 3.3Å; F731-K758 WeakPolarHBondContact O-CE 3.26Å; F731-K758 PolarHBondContact O-NZ 2.99Å; F734-K758 PolarHBondContact O-NZ 3.46Å; Y754-K758 HydrophobicContact CD1-CB 4.5Å; Y754-K758 HydrophobicContact CE1-CB 4.33Å; Y754-K758 WeakPolarHBondContact O-CB 3.23Å; Y754-K758 PolarHBondContact O-N 3.2Å; E755-K758 PolarHBondContact O-N 2.89Å; K758-F760 VanDerWaalsContact C-N 3.34Å; K758-V761 PolarHBondContact O-N 2.86Å; K758-D762 WeakPolarHBondContact CE-OD2 3.09Å; K758-D762 IonicContact NZ-OD2 3.32Å; K758-D762 PolarHBondContact NZ-OD2 2.77Å; K758-D762 WeakPolarHBondContact O-CB 3.35Å; K758-D762 PolarHBondContact O-N 2.72Å
759	L	97.9	Very high	95	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-42.1	174.3	-179.6	63.1	0	0	0	111.1	F731 F742 E755 V761 D762 V763 L768 L770 L811	F731-L759 HydrophobicContact CD2-CB 4.19Å; F731-L759 HydrophobicContact CE2-CB 4.39Å; F731-L759 HydrophobicContact CE2-CD2 4.25Å; F742-L759 HydrophobicContact CD1-CD1 3.86Å; F742-L759 HydrophobicContact CE1-CD1 4.19Å; E755-L759 WeakPolarHBondContact O-CB 3.21Å; E755-L759 PolarHBondContact O-N 2.85Å; L759-V761 PolarHBondContact O-N 3.43Å; L759-D762 PolarHBondContact O-N 3.21Å; L759-V763 HydrophobicContact CD1-CG2 4.09Å; L759-V763 HydrophobicContact CG-CG2 4.38Å; L759-V763 VanDerWaalsContact O-CG2 3.32Å; L759-V763 WeakPolarHBondContact O-CG2 3.32Å; L759-V763 PolarHBondContact O-N 2.87Å; L759-L768 HydrophobicContact CD1-CD2 4.39Å; L759-L770 HydrophobicContact CD1-CD1 4.44Å; L759-L770 HydrophobicContact CD2-CD1 4.49Å; L759-L770 HydrophobicContact CD2-CD2 4.05Å; L759-L811 HydrophobicContact CD2-CD1 3.66Å; L759-L811 HydrophobicContact CD2-CD2 3.92Å; L759-L811 HydrophobicContact CD2-CG 3.78Å
760	F	97.2	Very high	95.3	Very high	50 Å²	50	34 Å²	34	22%	0.219	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-46.5	176.8	-176.3	-103.8	0	0	0	112	I756 E757 K758 V763 T764 P814 F815 I851 A852	I756-F760 WeakPolarHBondContact O-CB 3.45Å; I756-F760 PolarHBondContact O-N 2.94Å; I756-F760 VanDerWaalsContact O-N 3.08Å; E757-F760 WeakPolarHBondContact O-CB 3.32Å; E757-F760 PolarHBondContact O-N 2.57Å; K758-F760 VanDerWaalsContact C-N 3.34Å; F760-V763 PolarHBondContact O-N 3.19Å; F760-T764 HydrophobicContact CD1-CG2 4.5Å; F760-T764 HydrophobicContact CD2-CG2 4.21Å; F760-T764 HydrophobicContact CE1-CG2 4.2Å; F760-T764 HydrophobicContact CE2-CG2 3.92Å; F760-T764 HydrophobicContact CZ-CG2 3.92Å; F760-T764 WeakPolarHBondContact O-CB 3.42Å; F760-T764 WeakPolarHBondContact O-CG2 3.32Å; F760-T764 PolarHBondContact O-N 3.23Å; F760-T764 PolarHBondContact O-OG1 2.92Å; F760-P814 HydrophobicContact CB-CB 4.16Å; F760-P814 HydrophobicContact CD2-CB 3.36Å; F760-P814 HydrophobicContact CE2-CB 3.83Å; F760-P814 WeakPolarHBondContact CE2-O 3.41Å; F760-P814 HydrophobicContact CG-CB 3.86Å; F760-F815 HydrophobicContact CB-CZ 4.39Å; F760-F815 AromaticContact CD2-CD1 3.95Å; F760-F815 HydrophobicContact CD2-CD1 3.95Å; F760-F815 AromaticContact CD2-CE1 3.58Å; F760-F815 HydrophobicContact CD2-CE1 3.58Å; F760-F815 HydrophobicContact CD2-CE2 4.47Å; F760-F815 AromaticContact CD2-CZ 3.89Å; F760-F815 HydrophobicContact CD2-CZ 3.89Å; F760-F815 HydrophobicContact CE2-CD1 4.15Å; F760-F815 HydrophobicContact CE2-CE1 4.11Å; F760-I851 HydrophobicContact CE2-CG2 3.81Å; F760-I851 HydrophobicContact CZ-CG2 4.3Å; F760-A852 HydrophobicContact CE1-CB 4.42Å; F760-A852 HydrophobicContact CZ-CB 3.97Å
761	V	96.4	Very high	95.6	Very high	51 Å²	51	34 Å²	34	31%	0.309	16%	0.162	S	C	.	.	H	α-helix	trans	-62.4	-44.8	175	171.3	0	0	0	0	111.3	E757 K758 L759 V763 T764 E765 K766	E757-V761 WeakPolarHBondContact O-CG2 3.24Å; E757-V761 PolarHBondContact O-N 2.85Å; K758-V761 PolarHBondContact O-N 2.86Å; L759-V761 PolarHBondContact O-N 3.43Å; V761-V763 VanDerWaalsContact C-N 3.31Å; V761-V763 PolarHBondContact O-N 2.94Å; V761-T764 PolarHBondContact O-N 3.21Å; V761-E765 HydrophobicContact CG1-CB 4.33Å; V761-E765 HydrophobicContact CG1-CG 4.31Å; V761-E765 WeakPolarHBondContact O-CA 3.48Å; V761-E765 WeakPolarHBondContact O-CB 3.45Å; V761-E765 PolarHBondContact O-N 3.2Å; V761-K766 PolarHBondContact O-N 2.69Å
762	D	97.4	Very high	95.8	Very high	14 Å²	14	33.9 Å²	33.9	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-34.9	-178.4	-82.1	-3.4	0	0	0	112.6	A736 K758 L759 K766 G767 L768	A736-D762 HydrophobicContact CB-CB 3.5Å; A736-D762 WeakPolarHBondContact CB-OD2 2.99Å; K758-D762 WeakPolarHBondContact CE-OD2 3.09Å; K758-D762 IonicContact NZ-OD2 3.32Å; K758-D762 PolarHBondContact NZ-OD2 2.77Å; K758-D762 WeakPolarHBondContact O-CB 3.35Å; K758-D762 PolarHBondContact O-N 2.72Å; L759-D762 PolarHBondContact O-N 3.21Å; D762-K766 CarbonylContact O-C 3.44Å; D762-K766 WeakPolarHBondContact O-CA 3.32Å; D762-K766 VanDerWaalsContact O-CB 3.32Å; D762-K766 WeakPolarHBondContact O-CB 3.09Å; D762-K766 PolarHBondContact O-N 3.35Å; D762-G767 PolarHBondContact O-N 3.25Å; D762-L768 HydrophobicContact CB-CB 4.37Å; D762-L768 HydrophobicContact CB-CD2 4.03Å; D762-L768 VanDerWaalsContact O-CB 3.28Å; D762-L768 WeakPolarHBondContact O-CB 3.46Å; D762-L768 PolarHBondContact O-N 3.39Å
763	V	96.4	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-73.3	-49.1	174	174.4	0	0	0	0	111.2	L759 F760 V761 L768 L770 F815 M930 G931 L933	L759-V763 HydrophobicContact CD1-CG2 4.09Å; L759-V763 HydrophobicContact CG-CG2 4.38Å; L759-V763 VanDerWaalsContact O-CG2 3.32Å; L759-V763 WeakPolarHBondContact O-CG2 3.32Å; L759-V763 PolarHBondContact O-N 2.87Å; F760-V763 PolarHBondContact O-N 3.19Å; V761-V763 VanDerWaalsContact C-N 3.31Å; V761-V763 PolarHBondContact O-N 2.94Å; V763-L768 WeakPolarHBondContact CA-O 3.48Å; V763-L768 WeakPolarHBondContact CG2-O 3.37Å; V763-L770 HydrophobicContact CG2-CB 4.28Å; V763-F815 HydrophobicContact CB-CE1 3.88Å; V763-F815 HydrophobicContact CB-CZ 3.86Å; V763-F815 HydrophobicContact CG1-CE1 3.76Å; V763-F815 HydrophobicContact CG1-CZ 4.15Å; V763-F815 HydrophobicContact CG2-CE1 4.3Å; V763-F815 HydrophobicContact CG2-CZ 3.83Å; V763-M930 HydrophobicContact CG1-CE 3.93Å; V763-M930 WeakPolarHBondContact O-CA 3.31Å; V763-G931 PolarHBondContact O-N 3.39Å; V763-L933 HydrophobicContact CG1-CD2 3.87Å
764	T	94.3	Very high	96	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-76.6	-40.3	-172.3	54.8	0	0	0	0	113.3	F760 V761 I851 A852 M930	F760-T764 HydrophobicContact CD1-CG2 4.5Å; F760-T764 HydrophobicContact CD2-CG2 4.21Å; F760-T764 HydrophobicContact CE1-CG2 4.2Å; F760-T764 HydrophobicContact CE2-CG2 3.92Å; F760-T764 HydrophobicContact CZ-CG2 3.92Å; F760-T764 WeakPolarHBondContact O-CB 3.42Å; F760-T764 WeakPolarHBondContact O-CG2 3.32Å; F760-T764 PolarHBondContact O-N 3.23Å; F760-T764 PolarHBondContact O-OG1 2.92Å; V761-T764 PolarHBondContact O-N 3.21Å; T764-I851 HydrophobicContact CG2-CG2 4.09Å; T764-A852 HydrophobicContact CG2-CB 4.26Å; T764-M930 HydrophobicContact CG2-CE 3.98Å; T764-M930 HydrophobicContact CG2-SD 4.05Å
765	E	93.1	Very high	96.2	Very high	116 Å²	116	24.9 Å²	24.9	54%	0.542	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-27.6	-172.5	-55.8	-175.5	-176.5	0	0	114	V761	V761-E765 HydrophobicContact CG1-CB 4.33Å; V761-E765 HydrophobicContact CG1-CG 4.31Å; V761-E765 WeakPolarHBondContact O-CA 3.48Å; V761-E765 WeakPolarHBondContact O-CB 3.45Å; V761-E765 PolarHBondContact O-N 3.2Å
766	K	93.7	Very high	96.1	Very high	97 Å²	97	24.8 Å²	24.8	42%	0.422	12%	0.119	S	C	.	.	S	Bend	trans	-103.3	-2	-179.7	-52.2	-59	-177.8	-166.9	0	113.7	R668 A736 V761 D762 L768	R668-K766 PolarHBondContact NH2-O 3.09Å; A736-K766 HydrophobicContact CB-CB 3.85Å; A736-K766 HydrophobicContact CB-CG 4.31Å; V761-K766 PolarHBondContact O-N 2.69Å; D762-K766 CarbonylContact O-C 3.44Å; D762-K766 WeakPolarHBondContact O-CA 3.32Å; D762-K766 VanDerWaalsContact O-CB 3.32Å; D762-K766 WeakPolarHBondContact O-CB 3.09Å; D762-K766 PolarHBondContact O-N 3.35Å; K766-L768 VanDerWaalsContact C-N 3.28Å; K766-L768 PolarHBondContact O-N 3.41Å
767	G	92.7	Very high	96.1	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	11%	0.114	C	C	.	.			trans	67.4	25.1	176.9	0	0	0	0	0	115.4	R668 D762 S769 E929	R668-G767 PolarHBondContact NH1-O 3.12Å; R668-G767 PolarHBondContact NH2-O 3.12Å; D762-G767 PolarHBondContact O-N 3.25Å; G767-S769 PolarHBondContact O-N 3.44Å; G767-E929 WeakPolarHBondContact CA-O 3.27Å; G767-E929 PolarHBondContact N-O 2.93Å
768	L	96.3	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.			trans	-70.1	121	173.6	-173.9	65.3	0	0	0	109.1	F734 A736 F742 L759 D762 V763 K766 G931	F734-L768 HydrophobicContact CE2-CD2 4.02Å; F734-L768 HydrophobicContact CZ-CD2 4.13Å; A736-L768 HydrophobicContact CB-CB 4.09Å; A736-L768 HydrophobicContact CB-CD1 4.48Å; A736-L768 HydrophobicContact CB-CD2 4.03Å; A736-L768 HydrophobicContact CB-CG 4.45Å; F742-L768 HydrophobicContact CB-CD1 4.04Å; F742-L768 HydrophobicContact CB-CD2 3.8Å; F742-L768 HydrophobicContact CB-CG 3.96Å; F742-L768 HydrophobicContact CD1-CD2 4.35Å; F742-L768 HydrophobicContact CG-CD2 4.32Å; L759-L768 HydrophobicContact CD1-CD2 4.39Å; D762-L768 HydrophobicContact CB-CB 4.37Å; D762-L768 HydrophobicContact CB-CD2 4.03Å; D762-L768 VanDerWaalsContact O-CB 3.28Å; D762-L768 WeakPolarHBondContact O-CB 3.46Å; D762-L768 PolarHBondContact O-N 3.39Å; V763-L768 WeakPolarHBondContact CA-O 3.48Å; V763-L768 WeakPolarHBondContact CG2-O 3.37Å; K766-L768 VanDerWaalsContact C-N 3.28Å; K766-L768 PolarHBondContact O-N 3.41Å; L768-G931 WeakPolarHBondContact O-CA 3.24Å
769	S	97.3	Very high	95.7	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139.6	171.9	-59.1	0	0	0	0	110.4	G740 T741 F742 G767 R932 S962	G740-S769 WeakPolarHBondContact O-CB 3.41Å; G740-S769 PolarHBondContact O-N 3.2Å; T741-S769 CarbonylContact C-O 3.57Å; T741-S769 VanDerWaalsContact CA-O 3.28Å; T741-S769 WeakPolarHBondContact CA-O 3.08Å; F742-S769 PolarHBondContact N-O 3.47Å; G767-S769 PolarHBondContact O-N 3.44Å; S769-R932 CarbonylContact C-O 3.39Å; S769-R932 VanDerWaalsContact CA-O 3.29Å; S769-R932 WeakPolarHBondContact CA-O 3.4Å; S769-R932 WeakPolarHBondContact CB-O 3.41Å; S769-R932 PolarHBondContact OG-N 2.86Å; S769-R932 VanDerWaalsContact OG-N 3.12Å; S769-S962 PolarHBondContact OG-O 3.35Å; S769-S962 VanDerWaalsContact OG-O 3.12Å
770	L	98.1	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.3	-178.2	179.2	65.7	0	0	0	109.5	F742 I744 L759 V763 V772 L812 R932 L933 S934	F742-L770 HydrophobicContact CB-CD1 4.49Å; F742-L770 HydrophobicContact CD1-CD1 3.96Å; I744-L770 HydrophobicContact CD1-CD1 3.83Å; I744-L770 HydrophobicContact CG1-CD1 4.06Å; L759-L770 HydrophobicContact CD1-CD1 4.44Å; L759-L770 HydrophobicContact CD2-CD1 4.49Å; L759-L770 HydrophobicContact CD2-CD2 4.05Å; V763-L770 HydrophobicContact CG2-CB 4.28Å; L770-V772 HydrophobicContact CD1-CG2 4.1Å; L770-V772 HydrophobicContact CD2-CG2 4.03Å; L770-V772 HydrophobicContact CG-CG2 3.85Å; L770-L812 HydrophobicContact CD2-CD2 3.95Å; L770-R932 PolarHBondContact N-O 2.98Å; L770-L933 HydrophobicContact CB-CD2 3.82Å; L770-L933 HydrophobicContact CD2-CD2 4.21Å; L770-L933 WeakPolarHBondContact O-CA 3.48Å; L770-S934 PolarHBondContact O-N 3.21Å
771	I	98.4	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125	169.7	-55.9	179.2	0	0	0	107.7	T741 F742 L743 I744 F773 S934 L955 L958 L959	T741-I771 HydrophobicContact CG2-CB 4.48Å; T741-I771 HydrophobicContact CG2-CD1 3.67Å; T741-I771 HydrophobicContact CG2-CG1 3.81Å; F742-I771 PolarHBondContact O-N 2.87Å; L743-I771 WeakPolarHBondContact CA-O 3.09Å; L743-I771 HydrophobicContact CD2-CB 3.62Å; L743-I771 HydrophobicContact CD2-CD1 3.95Å; L743-I771 HydrophobicContact CD2-CG1 4.17Å; L743-I771 HydrophobicContact CD2-CG2 4.11Å; I744-I771 PolarHBondContact N-O 3.27Å; I771-F773 HydrophobicContact CG2-CD2 3.86Å; I771-F773 HydrophobicContact CG2-CE2 3.53Å; I771-S934 CarbonylContact C-O 3.51Å; I771-S934 VanDerWaalsContact CA-O 3.28Å; I771-S934 WeakPolarHBondContact CA-O 3.05Å; I771-L955 HydrophobicContact CD1-CD1 4.36Å; I771-L955 HydrophobicContact CG2-CD1 4.28Å; I771-L958 HydrophobicContact CD1-CB 3.9Å; I771-L958 HydrophobicContact CG2-CD1 4.03Å; I771-L959 HydrophobicContact CD1-CD2 3.83Å; I771-L959 HydrophobicContact CD1-CG 4.17Å
772	V	98.5	Very high	94.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.4	-179.7	-178.8	0	0	0	0	109.2	I744 L770 L808 L812 S934 I935 Y936	I744-V772 HydrophobicContact CB-CG2 4.36Å; I744-V772 CarbonylContact O-C 3.5Å; I744-V772 VanDerWaalsContact O-CA 3.26Å; I744-V772 WeakPolarHBondContact O-CA 3.35Å; L770-V772 HydrophobicContact CD1-CG2 4.1Å; L770-V772 HydrophobicContact CD2-CG2 4.03Å; L770-V772 HydrophobicContact CG-CG2 3.85Å; V772-L808 HydrophobicContact CG1-CD1 3.93Å; V772-L808 HydrophobicContact CG1-CD2 3.78Å; V772-L808 HydrophobicContact CG1-CG 4.34Å; V772-L812 HydrophobicContact CG2-CD2 4.43Å; V772-S934 PolarHBondContact N-O 3.35Å; V772-I935 HydrophobicContact CB-CD1 3.69Å; V772-I935 HydrophobicContact CB-CG2 4.4Å; V772-I935 HydrophobicContact CG2-CD1 3.54Å; V772-Y936 PolarHBondContact O-N 3.47Å
773	F	97.6	Very high	94.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.9	164.3	-76.7	-112.1	0	0	0	106.4	I744 I745 D746 I771 Y936 D938 L942 L955 L958	I744-F773 PolarHBondContact O-N 3.41Å; I745-F773 WeakPolarHBondContact CA-O 3.42Å; I745-F773 HydrophobicContact CB-CB 4.44Å; I745-F773 HydrophobicContact CG1-CB 4.2Å; I745-F773 HydrophobicContact CG1-CD2 4.43Å; I745-F773 HydrophobicContact CG2-CB 4.11Å; D746-F773 PolarHBondContact N-O 2.82Å; I771-F773 HydrophobicContact CG2-CD2 3.86Å; I771-F773 HydrophobicContact CG2-CE2 3.53Å; F773-Y936 WeakPolarHBondContact CA-O 3.2Å; F773-Y936 AromaticContact CD1-CD1 3.42Å; F773-Y936 HydrophobicContact CD1-CD1 3.42Å; F773-Y936 VanDerWaalsContact CD1-CD1 3.42Å; F773-Y936 HydrophobicContact CD1-CE1 4.15Å; F773-Y936 HydrophobicContact CD1-CG 4.31Å; F773-Y936 AromaticContact CE1-CD1 3.38Å; F773-Y936 HydrophobicContact CE1-CD1 3.38Å; F773-Y936 AromaticContact CE1-CE1 3.97Å; F773-Y936 HydrophobicContact CE1-CE1 3.97Å; F773-Y936 HydrophobicContact CE1-CG 4.13Å; F773-Y936 HydrophobicContact CG-CD1 4.3Å; F773-Y936 HydrophobicContact CZ-CD1 4.29Å; F773-D938 VanDerWaalsContact CD1-O 3.3Å; F773-D938 WeakPolarHBondContact CD1-O 3.28Å; F773-L942 HydrophobicContact CB-CD1 4.33Å; F773-L942 HydrophobicContact CD1-CD1 3.37Å; F773-L942 HydrophobicContact CD1-CG 3.94Å; F773-L942 HydrophobicContact CD2-CD1 3.97Å; F773-L942 HydrophobicContact CE1-CD1 3.56Å; F773-L942 HydrophobicContact CE1-CD2 4.22Å; F773-L942 HydrophobicContact CE1-CG 3.9Å; F773-L942 HydrophobicContact CE2-CD1 4.1Å; F773-L942 HydrophobicContact CG-CD1 3.63Å; F773-L942 HydrophobicContact CZ-CD1 3.93Å; F773-L955 HydrophobicContact CE2-CD1 3.82Å; F773-L955 HydrophobicContact CZ-CB 4.4Å; F773-L955 HydrophobicContact CZ-CD1 4.22Å; F773-L958 HydrophobicContact CE2-CD1 3.82Å; F773-L958 HydrophobicContact CZ-CD1 3.78Å
774	A	96	Very high	93.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.			trans	-97.6	-179.3	176.3	0	0	0	0	0	110	L805 L808 F819 Y936 G937 D938 S939	A774-L805 HydrophobicContact CB-CD2 3.73Å; A774-L808 HydrophobicContact CB-CD2 3.7Å; A774-F819 HydrophobicContact CB-CD1 4.46Å; A774-F819 HydrophobicContact CB-CD2 4.49Å; A774-F819 HydrophobicContact CB-CE1 3.82Å; A774-F819 HydrophobicContact CB-CE2 3.84Å; A774-F819 HydrophobicContact CB-CZ 3.43Å; A774-F819 VanDerWaalsContact CB-CZ 3.43Å; A774-Y936 PolarHBondContact N-O 2.81Å; A774-G937 CarbonylContact C-O 3.49Å; A774-G937 CarbonylContact O-C 3.52Å; A774-D938 CarbonylContact O-C 3.54Å; A774-D938 WeakPolarHBondContact O-CA 3.29Å; A774-D938 PolarHBondContact O-N 3.43Å; A774-S939 PolarHBondContact O-N 2.96Å
775	D	94.6	Very high	92.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.			trans	-135.2	-149.1	168.9	-76.5	-65.4	0	0	0	109.5	S841 S939	D775-S841 WeakPolarHBondContact O-CB 3.33Å; D775-S841 PolarHBondContact O-N 2.98Å; D775-S841 PolarHBondContact O-OG 3.12Å; D775-S939 PolarHBondContact OD1-N 2.99Å; D775-S939 WeakPolarHBondContact OD2-CB 3.38Å; D775-S939 PolarHBondContact OD2-N 2.98Å; D775-S939 PolarHBondContact OD2-OG 3.16Å
776	W	94.9	Very high	92.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.			trans	-90.9	152.2	179.4	58.9	-78.2	0	0	0	113.6	P688 R689 D690 L692 V781 M782 L785 G801 G802 S803 V823 S839	P688-W776 HydrophobicContact CB-CH2 4.06Å; P688-W776 HydrophobicContact CB-CZ2 3.74Å; P688-W776 HydrophobicContact CG-CH2 3.53Å; P688-W776 HydrophobicContact CG-CZ2 3.38Å; R689-W776 PolarHBondContact O-NE1 3.01Å; R689-W776 VanDerWaalsContact O-NE1 3.09Å; D690-W776 PolarHBondContact O-NE1 2.88Å; L692-W776 HydrophobicContact CD1-CD2 3.87Å; L692-W776 HydrophobicContact CD1-CE3 4.16Å; L692-W776 HydrophobicContact CD1-CG 4.3Å; L692-W776 HydrophobicContact CD1-CH2 4.49Å; L692-W776 HydrophobicContact CD1-CZ2 4.22Å; L692-W776 HydrophobicContact CD1-CZ3 4.45Å; L692-W776 HydrophobicContact CD2-CD2 4.47Å; L692-W776 HydrophobicContact CD2-CH2 4.01Å; L692-W776 HydrophobicContact CD2-CZ2 3.4Å; L692-W776 HydrophobicContact CG-CD2 4.21Å; L692-W776 HydrophobicContact CG-CZ2 4.02Å; W776-V781 HydrophobicContact CE3-CG1 4.5Å; W776-V781 HydrophobicContact CZ3-CB 4.48Å; W776-V781 HydrophobicContact CZ3-CG1 4.15Å; W776-M782 HydrophobicContact CH2-CG 4.2Å; W776-M782 HydrophobicContact CZ3-CG 3.76Å; W776-L785 HydrophobicContact CH2-CD1 3.51Å; W776-L785 HydrophobicContact CZ2-CD1 4.11Å; W776-L785 HydrophobicContact CZ3-CD1 4.2Å; W776-G801 CarbonylContact O-C 3.54Å; W776-G801 WeakPolarHBondContact O-CA 3.3Å; W776-G802 VanDerWaalsContact CE2-N 3.3Å; W776-G802 PolarHBondContact O-N 2.98Å; W776-S803 PolarHBondContact O-N 2.99Å; W776-V823 HydrophobicContact CB-CB 4.3Å; W776-V823 HydrophobicContact CB-CG1 3.73Å; W776-V823 HydrophobicContact CB-CG2 3.74Å; W776-V823 HydrophobicContact CE3-CG2 4.45Å; W776-V823 HydrophobicContact CG-CG1 4.18Å; W776-V823 HydrophobicContact CG-CG2 4.5Å; W776-S839 WeakPolarHBondContact CB-O 3.45Å
777	Y	95	Very high	91	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.02	10%	0.103	C	C	.	.			trans	-149.5	114.8	163.2	-167.2	-77.8	0	0	0	109.4	T779 M782 S803 L805 P806 D821 P993 L994 A996	Y777-T779 HydrophobicContact CE1-CG2 4.04Å; Y777-M782 HydrophobicContact CD1-SD 4.46Å; Y777-M782 HydrophobicContact CE1-SD 4.12Å; Y777-M782 HydrophobicContact CE2-SD 4.28Å; Y777-S803 WeakPolarHBondContact CB-O 3.47Å; Y777-S803 VanDerWaalsContact CD2-O 3.26Å; Y777-S803 WeakPolarHBondContact CD2-O 3.39Å; Y777-L805 HydrophobicContact CG-CB 4.4Å; Y777-P806 HydrophobicContact CD1-CG 3.9Å; Y777-P806 HydrophobicContact CE1-CG 3.62Å; Y777-P806 HydrophobicContact CE2-CG 4.28Å; Y777-P806 HydrophobicContact CG-CG 4.36Å; Y777-D821 WeakPolarHBondContact O-CA 3.29Å; Y777-P993 HydrophobicContact CD1-CB 3.9Å; Y777-L994 VanDerWaalsContact CE1-O 3.29Å; Y777-L994 WeakPolarHBondContact CE1-O 3.36Å; Y777-A996 PolarHBondContact OH-N 3.02Å; Y777-A996 VanDerWaalsContact OH-N 3.07Å
778	N	93.8	Very high	89.3	Confident	12 Å²	12	22.8 Å²	22.8	6%	0.064	12%	0.115	C	C	.	.			trans	-145.9	116.3	176.2	-174	-62.8	0	0	0	110.1	S780 V781 M782 D821 V823	N778-S780 VanDerWaalsContact C-N 3.26Å; N778-S780 PolarHBondContact O-N 3.33Å; N778-S780 WeakPolarHBondContact OD1-CA 3.34Å; N778-S780 WeakPolarHBondContact OD1-CB 3.26Å; N778-S780 PolarHBondContact OD1-N 2.88Å; N778-V781 HydrophobicContact CB-CB 3.91Å; N778-V781 HydrophobicContact CB-CG2 3.77Å; N778-V781 PolarHBondContact O-N 3Å; N778-V781 VanDerWaalsContact O-N 3.12Å; N778-V781 PolarHBondContact OD1-N 3.48Å; N778-M782 VanDerWaalsContact O-CG 3.23Å; N778-M782 WeakPolarHBondContact O-CG 3.44Å; N778-M782 PolarHBondContact O-N 2.97Å; N778-D821 VanDerWaalsContact CB-O 3.29Å; N778-D821 WeakPolarHBondContact CB-O 3.48Å; N778-D821 PolarHBondContact ND2-O 3Å; N778-V823 HydrophobicContact CB-CG2 3.89Å
779	T	91.1	Very high	86.9	Confident	57 Å²	57	23.3 Å²	23.3	35%	0.35	12%	0.118	S	C	.	.	H	α-helix	trans	-62.5	-30.6	-175.9	60.1	0	0	0	0	113.7	Y777 Q783 L994 A996	Y777-T779 HydrophobicContact CE1-CG2 4.04Å; T779-Q783 WeakPolarHBondContact O-CB 3.47Å; T779-Q783 PolarHBondContact O-N 2.76Å; T779-L994 WeakPolarHBondContact CG2-O 3.48Å; T779-A996 HydrophobicContact CG2-CB 4.22Å
780	S	90.9	Very high	84.1	Confident	62 Å²	62	27.8 Å²	27.8	43%	0.434	15%	0.146	S	C	.	.	H	α-helix	trans	-74.7	-38	175.6	-58.5	0	0	0	0	111.8	N778 Q783 S784	N778-S780 VanDerWaalsContact C-N 3.26Å; N778-S780 PolarHBondContact O-N 3.33Å; N778-S780 WeakPolarHBondContact OD1-CA 3.34Å; N778-S780 WeakPolarHBondContact OD1-CB 3.26Å; N778-S780 PolarHBondContact OD1-N 2.88Å; S780-Q783 WeakPolarHBondContact O-CB 3.31Å; S780-Q783 PolarHBondContact O-N 3.44Å; S780-S784 PolarHBondContact O-N 3.05Å
781	V	89.7	Confident	81.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-46.3	172.2	178.3	0	0	0	0	110.2	L692 W776 N778 Q783 S784 L785 V823	L692-V781 HydrophobicContact CD1-CG1 3.67Å; W776-V781 HydrophobicContact CE3-CG1 4.5Å; W776-V781 HydrophobicContact CZ3-CB 4.48Å; W776-V781 HydrophobicContact CZ3-CG1 4.15Å; N778-V781 HydrophobicContact CB-CB 3.91Å; N778-V781 HydrophobicContact CB-CG2 3.77Å; N778-V781 PolarHBondContact O-N 3Å; N778-V781 VanDerWaalsContact O-N 3.12Å; N778-V781 PolarHBondContact OD1-N 3.48Å; V781-Q783 PolarHBondContact O-N 2.54Å; V781-S784 WeakPolarHBondContact CA-OG 3.08Å; V781-S784 CarbonylContact O-C 3.59Å; V781-S784 WeakPolarHBondContact O-CA 3.16Å; V781-S784 PolarHBondContact O-N 3.34Å; V781-S784 PolarHBondContact O-OG 3Å; V781-L785 HydrophobicContact CG1-CD1 3.94Å; V781-L785 HydrophobicContact CG1-CG 4.22Å; V781-L785 WeakPolarHBondContact O-CG 3.36Å; V781-L785 PolarHBondContact O-N 2.83Å; V781-V823 HydrophobicContact CG2-CG2 4.31Å
782	M	89.3	Confident	78.5	Confident	6 Å²	6	29 Å²	29	3%	0.03	15%	0.152	C	C	.	.	H	α-helix	trans	-55.3	-38.4	173.5	-65.9	165.6	71.3	0	0	111.6	W776 Y777 N778 L785 P798 A996	W776-M782 HydrophobicContact CH2-CG 4.2Å; W776-M782 HydrophobicContact CZ3-CG 3.76Å; Y777-M782 HydrophobicContact CD1-SD 4.46Å; Y777-M782 HydrophobicContact CE1-SD 4.12Å; Y777-M782 HydrophobicContact CE2-SD 4.28Å; N778-M782 VanDerWaalsContact O-CG 3.23Å; N778-M782 WeakPolarHBondContact O-CG 3.44Å; N778-M782 PolarHBondContact O-N 2.97Å; M782-L785 PolarHBondContact O-N 3.22Å; M782-P798 HydrophobicContact CB-CB 4.06Å; M782-P798 HydrophobicContact CB-CG 4.11Å; M782-P798 HydrophobicContact CE-CB 3.94Å; M782-P798 WeakPolarHBondContact CE-O 3.35Å; M782-P798 HydrophobicContact CG-CB 4.03Å; M782-P798 HydrophobicContact CG-CG 4.46Å; M782-P798 WeakPolarHBondContact O-CD 3.2Å; M782-A996 HydrophobicContact CE-CB 4.01Å
783	Q	85.6	Confident	75.6	Confident	88 Å²	88	33.3 Å²	33.3	41%	0.411	17%	0.168	S	C	.	.	H	α-helix	trans	-64	-40.6	173.6	-179.1	76	36.9	0	0	112.4	T779 S780 V781 R786	T779-Q783 WeakPolarHBondContact O-CB 3.47Å; T779-Q783 PolarHBondContact O-N 2.76Å; S780-Q783 WeakPolarHBondContact O-CB 3.31Å; S780-Q783 PolarHBondContact O-N 3.44Å; V781-Q783 PolarHBondContact O-N 2.54Å; Q783-R786 VanDerWaalsContact O-CB 3.31Å; Q783-R786 WeakPolarHBondContact O-CB 3.41Å; Q783-R786 VanDerWaalsContact O-CD 3.32Å; Q783-R786 WeakPolarHBondContact O-CD 3.35Å; Q783-R786 WeakPolarHBondContact O-CG 3.39Å; Q783-R786 PolarHBondContact O-N 2.98Å
784	S	83.2	Confident	73.2	Confident	22 Å²	22	38.8 Å²	38.8	15%	0.154	19%	0.189	C	C	.	.	H	α-helix	trans	-73.6	-25.6	177.9	69.3	0	0	0	0	113.8	S780 V781 R786	S780-S784 PolarHBondContact O-N 3.05Å; V781-S784 WeakPolarHBondContact CA-OG 3.08Å; V781-S784 CarbonylContact O-C 3.59Å; V781-S784 WeakPolarHBondContact O-CA 3.16Å; V781-S784 PolarHBondContact O-N 3.34Å; V781-S784 PolarHBondContact O-OG 3Å; S784-R786 PolarHBondContact O-N 2.92Å
785	L	81.8	Confident	71.7	Confident	38 Å²	38	41.6 Å²	41.6	20%	0.199	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2	175.8	-67.2	171.8	0	0	0	112.8	F686 L692 W776 V781 M782 F787 P798 F872	F686-L785 WeakPolarHBondContact CE1-O 3.18Å; L692-L785 HydrophobicContact CD2-CD1 3.55Å; L692-L785 HydrophobicContact CD2-CD2 4.28Å; W776-L785 HydrophobicContact CH2-CD1 3.51Å; W776-L785 HydrophobicContact CZ2-CD1 4.11Å; W776-L785 HydrophobicContact CZ3-CD1 4.2Å; V781-L785 HydrophobicContact CG1-CD1 3.94Å; V781-L785 HydrophobicContact CG1-CG 4.22Å; V781-L785 WeakPolarHBondContact O-CG 3.36Å; V781-L785 PolarHBondContact O-N 2.83Å; M782-L785 PolarHBondContact O-N 3.22Å; L785-F787 PolarHBondContact O-N 3.12Å; L785-P798 HydrophobicContact CB-CG 4.12Å; L785-F872 HydrophobicContact CD2-CD1 4.45Å; L785-F872 HydrophobicContact CD2-CE1 4.13Å
786	R	78.5	Confident	70.5	Confident	63 Å²	63	44.1 Å²	44.1	24%	0.238	21%	0.214	C	C	.	.			trans	-62.1	115.5	177	-68	179.9	175.3	-166.5	2.4	109	Q783 S784 L795 W796 T797	Q783-R786 VanDerWaalsContact O-CB 3.31Å; Q783-R786 WeakPolarHBondContact O-CB 3.41Å; Q783-R786 VanDerWaalsContact O-CD 3.32Å; Q783-R786 WeakPolarHBondContact O-CD 3.35Å; Q783-R786 WeakPolarHBondContact O-CG 3.39Å; Q783-R786 PolarHBondContact O-N 2.98Å; S784-R786 PolarHBondContact O-N 2.92Å; R786-L795 HydrophobicContact CB-CD1 3.89Å; R786-L795 HydrophobicContact CB-CG 4.12Å; R786-W796 VanDerWaalsContact CA-O 3.29Å; R786-W796 WeakPolarHBondContact CA-O 3.35Å; R786-T797 HydrophobicContact CG-CG2 3.75Å; R786-T797 VanDerWaalsContact CZ-CG2 3.43Å
787	F	67.3	Low	69.8	Low	47 Å²	47	45.3 Å²	45.3	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.5	167.4	67.9	-81.4	0	0	0	108.3	F686 L785 D789 W796	F686-F787 HydrophobicContact CD1-CD1 4.24Å; F686-F787 AromaticContact CD1-CE1 3.79Å; F686-F787 HydrophobicContact CD1-CE1 3.79Å; F686-F787 HydrophobicContact CD2-CE1 4.33Å; F686-F787 AromaticContact CE1-CD1 3.58Å; F686-F787 HydrophobicContact CE1-CD1 3.58Å; F686-F787 AromaticContact CE1-CE1 3.47Å; F686-F787 HydrophobicContact CE1-CE1 3.47Å; F686-F787 VanDerWaalsContact CE1-CE1 3.47Å; F686-F787 HydrophobicContact CE2-CE1 4.04Å; F686-F787 HydrophobicContact CG-CE1 4.22Å; F686-F787 AromaticContact CZ-CD1 3.85Å; F686-F787 HydrophobicContact CZ-CD1 3.85Å; F686-F787 AromaticContact CZ-CE1 3.6Å; F686-F787 HydrophobicContact CZ-CE1 3.6Å; L785-F787 PolarHBondContact O-N 3.12Å; F787-D789 VanDerWaalsContact C-N 3.34Å; F787-D789 HydrophobicContact CD2-CB 3.83Å; F787-D789 HydrophobicContact CE2-CB 3.51Å; F787-D789 HydrophobicContact CZ-CB 4.49Å; F787-D789 PolarHBondContact O-N 3.48Å; F787-D789 VanDerWaalsContact O-N 3.12Å; F787-W796 HydrophobicContact CD1-CB 4.36Å; F787-W796 HydrophobicContact CE1-CB 3.92Å; F787-W796 HydrophobicContact CE1-CG 4.49Å; F787-W796 HydrophobicContact CE2-CG 4.49Å; F787-W796 HydrophobicContact CZ-CB 4.01Å; F787-W796 HydrophobicContact CZ-CG 4.1Å; F787-W796 PolarHBondContact O-N 2.98Å
788	Y	57.1	Low	69.4	Low	76 Å²	76	45.3 Å²	45.3	30%	0.298	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	104.2	160.6	-174.5	-105	0	0	0	105.6	E32 T790 R793	E32-Y788 PolarHBondContact OE1-OH 2.97Å; Y788-T790 HydrophobicContact CD1-CG2 4.13Å; Y788-T790 PolarHBondContact O-N 3.31Å; Y788-R793 HydrophobicContact CE1-CG 4.25Å; Y788-R793 HydrophobicContact CE2-CB 4.35Å; Y788-R793 WeakPolarHBondContact CE2-O 3.41Å; Y788-R793 VanDerWaalsContact OH-CB 3.25Å; Y788-R793 WeakPolarHBondContact OH-CB 3.5Å; Y788-R793 VanDerWaalsContact OH-CD 3.3Å; Y788-R793 WeakPolarHBondContact OH-CD 3.36Å; Y788-R793 VanDerWaalsContact OH-CG 3.28Å; Y788-R793 WeakPolarHBondContact OH-CG 3.28Å
789	D	47.2	Very low	69	Low	10 Å²	10	45 Å²	45	5%	0.053	22%	0.22	C	C	.	.			trans	-68.7	92.1	169.9	-172.5	36	0	0	0	105.4	F787 N791 T792 R793 R794 W796	F787-D789 VanDerWaalsContact C-N 3.34Å; F787-D789 HydrophobicContact CD2-CB 3.83Å; F787-D789 HydrophobicContact CE2-CB 3.51Å; F787-D789 HydrophobicContact CZ-CB 4.49Å; F787-D789 PolarHBondContact O-N 3.48Å; F787-D789 VanDerWaalsContact O-N 3.12Å; D789-N791 HydrophobicContact CB-CB 4.41Å; D789-N791 CarbonylContact O-C 3.56Å; D789-N791 VanDerWaalsContact O-C 3.23Å; D789-N791 PolarHBondContact O-N 3.46Å; D789-N791 WeakPolarHBondContact OD1-CB 3.38Å; D789-T792 PolarHBondContact O-N 3.31Å; D789-T792 WeakPolarHBondContact OD2-CA 3.41Å; D789-T792 WeakPolarHBondContact OD2-CB 3.25Å; D789-T792 WeakPolarHBondContact OD2-CG2 3.49Å; D789-T792 PolarHBondContact OD2-N 2.83Å; D789-T792 PolarHBondContact OD2-OG1 3.1Å; D789-R793 WeakPolarHBondContact O-CA 3.2Å; D789-R793 PolarHBondContact O-N 3.45Å; D789-R794 PolarHBondContact N-O 3.32Å; D789-W796 HydrophobicContact CB-CG 4.32Å; D789-W796 VanDerWaalsContact CG-NE1 3.33Å; D789-W796 PolarHBondContact OD2-NE1 2.85Å
790	T	38.4	Very low	68.9	Low	98 Å²	98	42.3 Å²	42.3	60%	0.601	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.5	-32.4	174.2	52.4	0	0	0	0	112	Y788 R793	Y788-T790 HydrophobicContact CD1-CG2 4.13Å; Y788-T790 PolarHBondContact O-N 3.31Å; T790-R793 WeakPolarHBondContact O-CG 3.42Å
791	N	36.4	Very low	68.9	Low	12 Å²	12	39.4 Å²	39.4	6%	0.064	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-90.6	165.8	-95.9	22.4	0	0	0	110.7	V27 S28 S29 V30 D789 R793	V27-N791 WeakPolarHBondContact CB-ND2 3.42Å; V27-N791 WeakPolarHBondContact CG1-ND2 3.49Å; V27-N791 PolarHBondContact O-ND2 3.33Å; S28-N791 WeakPolarHBondContact CA-ND2 3.13Å; S28-N791 PolarHBondContact N-ND2 2.94Å; S28-N791 WeakPolarHBondContact O-CB 3.49Å; S28-N791 PolarHBondContact O-ND2 3.39Å; S29-N791 CarbonylContact C-O 3.35Å; S29-N791 VanDerWaalsContact CA-CG 3.41Å; S29-N791 WeakPolarHBondContact CA-O 3.45Å; S29-N791 WeakPolarHBondContact CB-O 3.26Å; S29-N791 WeakPolarHBondContact CB-OD1 3.25Å; S29-N791 VanDerWaalsContact N-CG 3.34Å; S29-N791 PolarHBondContact N-ND2 3.37Å; S29-N791 VanDerWaalsContact N-ND2 3.11Å; S29-N791 WeakPolarHBondContact OG-CA 3.1Å; S29-N791 WeakPolarHBondContact OG-CB 3.4Å; S29-N791 PolarHBondContact OG-ND2 2.57Å; S29-N791 PolarHBondContact OG-OD1 3Å; V30-N791 CarbonylContact C-O 3.55Å; V30-N791 WeakPolarHBondContact CA-O 3.19Å; V30-N791 PolarHBondContact N-O 2.58Å; D789-N791 HydrophobicContact CB-CB 4.41Å; D789-N791 CarbonylContact O-C 3.56Å; D789-N791 VanDerWaalsContact O-C 3.23Å; D789-N791 PolarHBondContact O-N 3.46Å; D789-N791 WeakPolarHBondContact OD1-CB 3.38Å; N791-R793 PolarHBondContact O-N 3.04Å; N791-R793 VanDerWaalsContact O-N 3.11Å
792	T	41	Very low	68.9	Low	12 Å²	12	39.4 Å²	39.4	7%	0.074	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9	-178.7	68.3	0	0	0	0	117.4	V30 D789 R794 W796	V30-T792 HydrophobicContact CB-CG2 3.74Å; V30-T792 HydrophobicContact CG2-CG2 3.3Å; V30-T792 VanDerWaalsContact N-N 3.13Å; V30-T792 CarbonylContact O-C 3.53Å; V30-T792 VanDerWaalsContact O-CA 3.28Å; V30-T792 WeakPolarHBondContact O-CA 2.92Å; V30-T792 VanDerWaalsContact O-O 3.12Å; D789-T792 PolarHBondContact O-N 3.31Å; D789-T792 WeakPolarHBondContact OD2-CA 3.41Å; D789-T792 WeakPolarHBondContact OD2-CB 3.25Å; D789-T792 WeakPolarHBondContact OD2-CG2 3.49Å; D789-T792 PolarHBondContact OD2-N 2.83Å; D789-T792 PolarHBondContact OD2-OG1 3.1Å; T792-R794 PolarHBondContact O-N 3.13Å; T792-R794 WeakPolarHBondContact OG1-CB 3.35Å; T792-R794 PolarHBondContact OG1-N 3Å; T792-W796 HydrophobicContact CG2-CZ2 3.74Å; T792-W796 PolarHBondContact OG1-NE1 2.78Å
793	R	38.3	Very low	69.1	Low	91 Å²	91	39.1 Å²	39.1	34%	0.343	18%	0.181	S	C	.	.			trans	44.6	26.9	-169.4	-73.8	-154.5	-162.6	179.1	-1.9	111.4	E32 Y788 D789 T790 N791	E32-R793 HydrophobicContact CB-CB 3.93Å; E32-R793 VanDerWaalsContact CB-CD 3.47Å; E32-R793 HydrophobicContact CB-CG 4.31Å; E32-R793 HydrophobicContact CG-CB 3.21Å; E32-R793 VanDerWaalsContact CG-CD 3.46Å; E32-R793 HydrophobicContact CG-CG 4.02Å; E32-R793 VanDerWaalsContact OE1-CB 3.25Å; E32-R793 WeakPolarHBondContact OE1-CB 2.91Å; E32-R793 WeakPolarHBondContact OE2-CD 3.36Å; E32-R793 IonicContact OE2-CZ 3.45Å; E32-R793 IonicContact OE2-NE 3.65Å; E32-R793 IonicContact OE2-NH1 2.65Å; E32-R793 PolarHBondContact OE2-NH1 3.16Å; Y788-R793 HydrophobicContact CE1-CG 4.25Å; Y788-R793 HydrophobicContact CE2-CB 4.35Å; Y788-R793 WeakPolarHBondContact CE2-O 3.41Å; Y788-R793 VanDerWaalsContact OH-CB 3.25Å; Y788-R793 WeakPolarHBondContact OH-CB 3.5Å; Y788-R793 VanDerWaalsContact OH-CD 3.3Å; Y788-R793 WeakPolarHBondContact OH-CD 3.36Å; Y788-R793 VanDerWaalsContact OH-CG 3.28Å; Y788-R793 WeakPolarHBondContact OH-CG 3.28Å; D789-R793 WeakPolarHBondContact O-CA 3.2Å; D789-R793 PolarHBondContact O-N 3.45Å; T790-R793 WeakPolarHBondContact O-CG 3.42Å; N791-R793 PolarHBondContact O-N 3.04Å; N791-R793 VanDerWaalsContact O-N 3.11Å
794	R	47.5	Very low	69.5	Low	116 Å²	116	35 Å²	35	44%	0.438	16%	0.162	S	C	.	.	S	Bend	trans	-93.5	134.5	162.1	-62.8	176.5	173.9	-170.4	-2.4	104.4	D789 T792 W796	D789-R794 PolarHBondContact N-O 3.32Å; T792-R794 PolarHBondContact O-N 3.13Å; T792-R794 WeakPolarHBondContact OG1-CB 3.35Å; T792-R794 PolarHBondContact OG1-N 3Å; R794-W796 VanDerWaalsContact C-N 3.28Å; R794-W796 PolarHBondContact O-N 2.82Å
795	L	64.2	Low	70.1	Confident	59 Å²	59	34 Å²	34	31%	0.309	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	104.3	152	-170	67.9	0	0	0	105.6	R786 T797	R786-L795 HydrophobicContact CB-CD1 3.89Å; R786-L795 HydrophobicContact CB-CG 4.12Å; L795-T797 HydrophobicContact CD2-CG2 4.46Å; L795-T797 HydrophobicContact CG-CG2 4.3Å
796	W	69.7	Low	70.7	Confident	53 Å²	53	32.6 Å²	32.6	20%	0.201	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131	171.1	-74.4	79.1	0	0	0	107	F686 R786 F787 D789 T792 R794	F686-W796 HydrophobicContact CB-CB 4.17Å; F686-W796 HydrophobicContact CB-CD2 4.35Å; F686-W796 HydrophobicContact CB-CE3 3.6Å; F686-W796 HydrophobicContact CB-CZ3 4.35Å; F686-W796 HydrophobicContact CD1-CB 3.76Å; F686-W796 HydrophobicContact CG-CB 4.3Å; R786-W796 VanDerWaalsContact CA-O 3.29Å; R786-W796 WeakPolarHBondContact CA-O 3.35Å; F787-W796 HydrophobicContact CD1-CB 4.36Å; F787-W796 HydrophobicContact CE1-CB 3.92Å; F787-W796 HydrophobicContact CE1-CG 4.49Å; F787-W796 HydrophobicContact CE2-CG 4.49Å; F787-W796 HydrophobicContact CZ-CB 4.01Å; F787-W796 HydrophobicContact CZ-CG 4.1Å; F787-W796 PolarHBondContact O-N 2.98Å; D789-W796 HydrophobicContact CB-CG 4.32Å; D789-W796 VanDerWaalsContact CG-NE1 3.33Å; D789-W796 PolarHBondContact OD2-NE1 2.85Å; T792-W796 HydrophobicContact CG2-CZ2 3.74Å; T792-W796 PolarHBondContact OG1-NE1 2.78Å; R794-W796 VanDerWaalsContact C-N 3.28Å; R794-W796 PolarHBondContact O-N 2.82Å
797	T	79.8	Confident	71.5	Confident	25 Å²	25	29.6 Å²	29.6	15%	0.153	14%	0.137	C	C	.	.			trans	-122.1	130.2	177	64.8	0	0	0	0	105.8	R786 L795 D799	R786-T797 HydrophobicContact CG-CG2 3.75Å; R786-T797 VanDerWaalsContact CZ-CG2 3.43Å; L795-T797 HydrophobicContact CD2-CG2 4.46Å; L795-T797 HydrophobicContact CG-CG2 4.3Å; T797-D799 PolarHBondContact O-N 2.93Å
798	P	86.3	Confident	72.9	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.026	13%	0.127	C	C	.	.			trans	-49.1	128.6	174.5	-29.4	36.7	0	0	0	110.5	F686 P688 M782 L785 T800	F686-P798 HydrophobicContact CD1-CB 4.38Å; F686-P798 VanDerWaalsContact CD1-CD 3.47Å; F686-P798 HydrophobicContact CD1-CG 3.72Å; F686-P798 VanDerWaalsContact CD1-N 3.33Å; F686-P798 HydrophobicContact CE1-CG 3.51Å; F686-P798 HydrophobicContact CG-CG 4.34Å; F686-P798 HydrophobicContact CZ-CG 3.99Å; F686-P798 CarbonylContact O-C 3.54Å; F686-P798 VanDerWaalsContact O-CA 3.25Å; F686-P798 WeakPolarHBondContact O-CA 3.48Å; P688-P798 HydrophobicContact CG-CB 4.02Å; P688-P798 HydrophobicContact CG-CG 4.46Å; M782-P798 HydrophobicContact CB-CB 4.06Å; M782-P798 HydrophobicContact CB-CG 4.11Å; M782-P798 HydrophobicContact CE-CB 3.94Å; M782-P798 WeakPolarHBondContact CE-O 3.35Å; M782-P798 HydrophobicContact CG-CB 4.03Å; M782-P798 HydrophobicContact CG-CG 4.46Å; M782-P798 WeakPolarHBondContact O-CD 3.2Å; L785-P798 HydrophobicContact CB-CG 4.12Å; P798-T800 VanDerWaalsContact CB-O 3.32Å; P798-T800 WeakPolarHBondContact CB-O 3.32Å
799	D	86.5	Confident	74.8	Confident	7 Å²	7	24.6 Å²	24.6	4%	0.037	12%	0.118	C	C	.	.	S	Bend	trans	-77.8	-29.6	178.3	-72.2	-56.1	0	0	0	110.8	G685 F686 I687 T797 S999 Q1000	G685-D799 WeakPolarHBondContact CA-OD2 3.3Å; F686-D799 PolarHBondContact N-OD2 3.01Å; F686-D799 PolarHBondContact O-N 3.4Å; I687-D799 HydrophobicContact CD1-CB 4.17Å; T797-D799 PolarHBondContact O-N 2.93Å; D799-S999 WeakPolarHBondContact O-CB 3.27Å; D799-S999 PolarHBondContact O-OG 3.01Å; D799-Q1000 WeakPolarHBondContact OD1-CA 3.41Å; D799-Q1000 WeakPolarHBondContact OD1-CB 3.32Å; D799-Q1000 PolarHBondContact OD1-N 3.25Å
800	T	89.2	Confident	77.1	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-140.4	174.6	170.7	-168.7	0	0	0	0	110.4	I680 I687 P688 E748 P798	I680-T800 HydrophobicContact CD1-CG2 4.24Å; I687-T800 HydrophobicContact CD1-CG2 3.88Å; I687-T800 HydrophobicContact CG2-CG2 4.47Å; P688-T800 VanDerWaalsContact CD-O 3.31Å; P688-T800 WeakPolarHBondContact CD-O 3.21Å; P688-T800 WeakPolarHBondContact CG-O 3.46Å; E748-T800 HydrophobicContact CB-CG2 4.12Å; E748-T800 HydrophobicContact CG-CG2 4.4Å; P798-T800 VanDerWaalsContact CB-O 3.32Å; P798-T800 WeakPolarHBondContact CB-O 3.32Å
801	G	90.2	Very high	79.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.091	C	C	.	.			trans	-77.6	-157.8	167.4	0	0	0	0	0	111.1	W776 S803	W776-G801 CarbonylContact O-C 3.54Å; W776-G801 WeakPolarHBondContact O-CA 3.3Å; G801-S803 VanDerWaalsContact C-N 3.32Å
802	G	90.2	Very high	82.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-58.8	-49.6	165.4	0	0	0	0	0	109.5	D746 E748 W776	D746-G802 VanDerWaalsContact OD1-C 3.3Å; E748-G802 WeakPolarHBondContact CG-O 3.46Å; W776-G802 VanDerWaalsContact CE2-N 3.3Å; W776-G802 PolarHBondContact O-N 2.98Å
803	S	93.1	Very high	85.3	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-123.4	148.2	171.4	173.3	0	0	0	0	111.3	D746 P747 W776 Y777 G801 L805	D746-S803 WeakPolarHBondContact OD1-CB 3.49Å; P747-S803 WeakPolarHBondContact CD-OG 3.27Å; P747-S803 CarbonylContact O-C 3.23Å; P747-S803 WeakPolarHBondContact O-CA 3.31Å; P747-S803 PolarHBondContact O-OG 2.96Å; W776-S803 PolarHBondContact O-N 2.99Å; Y777-S803 WeakPolarHBondContact CB-O 3.47Å; Y777-S803 VanDerWaalsContact CD2-O 3.26Å; Y777-S803 WeakPolarHBondContact CD2-O 3.39Å; G801-S803 VanDerWaalsContact C-N 3.32Å; S803-L805 VanDerWaalsContact C-N 3.28Å; S803-L805 PolarHBondContact O-N 3.13Å
804	N	94.2	Very high	88.1	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.016	10%	0.101	C	C	.	.			trans	-75.4	73.2	174.7	-170.8	-5.2	0	0	0	111.8	P747 E748 E750 P806 A807 L808	P747-N804 PolarHBondContact O-N 2.89Å; E748-N804 WeakPolarHBondContact O-CB 3.45Å; E750-N804 PolarHBondContact OE1-ND2 3.44Å; E750-N804 VanDerWaalsContact OE1-ND2 3.14Å; N804-P806 VanDerWaalsContact C-CD 3.48Å; N804-P806 WeakPolarHBondContact OD1-CD 3.35Å; N804-A807 HydrophobicContact CB-CB 4.16Å; N804-A807 WeakPolarHBondContact O-CB 3.42Å; N804-A807 PolarHBondContact O-N 3.37Å; N804-A807 VanDerWaalsContact O-N 3.08Å; N804-A807 PolarHBondContact OD1-N 2.81Å; N804-L808 PolarHBondContact O-N 2.96Å
805	L	95.9	Very high	90.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.1	-35.3	-178.2	-58	-177.7	0	0	0	115.2	A774 Y777 S803 A807 L808 N809 F819 S841 P993	A774-L805 HydrophobicContact CB-CD2 3.73Å; Y777-L805 HydrophobicContact CG-CB 4.4Å; S803-L805 VanDerWaalsContact C-N 3.28Å; S803-L805 PolarHBondContact O-N 3.13Å; L805-A807 VanDerWaalsContact C-N 3.33Å; L805-A807 PolarHBondContact O-N 3.33Å; L805-L808 HydrophobicContact CD2-CD2 4.13Å; L805-L808 PolarHBondContact O-N 2.84Å; L805-N809 VanDerWaalsContact O-CB 3.24Å; L805-N809 WeakPolarHBondContact O-CB 3.14Å; L805-N809 VanDerWaalsContact O-CG 3.23Å; L805-N809 PolarHBondContact O-N 2.76Å; L805-F819 HydrophobicContact CD1-CB 4.21Å; L805-F819 HydrophobicContact CD2-CB 4.35Å; L805-F819 HydrophobicContact CD2-CD2 4.26Å; L805-F819 HydrophobicContact CD2-CG 4.25Å; L805-S841 VanDerWaalsContact CD1-CB 3.45Å; L805-P993 HydrophobicContact CB-CB 4.2Å; L805-P993 HydrophobicContact CB-CG 3.67Å
806	P	94.6	Very high	91.8	Very high	8 Å²	8	15.2 Å²	15.2	5%	0.052	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-45.7	171.7	-26.5	34.5	0	0	0	112.7	Y777 N804 N809 E810 P993 R995	Y777-P806 HydrophobicContact CD1-CG 3.9Å; Y777-P806 HydrophobicContact CE1-CG 3.62Å; Y777-P806 HydrophobicContact CE2-CG 4.28Å; Y777-P806 HydrophobicContact CG-CG 4.36Å; N804-P806 VanDerWaalsContact C-CD 3.48Å; N804-P806 WeakPolarHBondContact OD1-CD 3.35Å; P806-N809 PolarHBondContact O-N 2.95Å; P806-E810 PolarHBondContact O-N 3.48Å; P806-E810 VanDerWaalsContact O-N 3.14Å; P806-P993 HydrophobicContact CG-CB 4.06Å; P806-P993 HydrophobicContact CG-CG 4.43Å; P806-R995 HydrophobicContact CB-CG 3.57Å; P806-R995 HydrophobicContact CG-CG 4.07Å
807	A	94.7	Very high	93.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-65.6	-43.6	176	0	0	0	0	0	111.8	E750 F751 N804 L805 N809 E810 L811	E750-A807 WeakPolarHBondContact OE2-CB 3.39Å; F751-A807 HydrophobicContact CD2-CB 4.07Å; F751-A807 HydrophobicContact CE2-CB 4.27Å; N804-A807 HydrophobicContact CB-CB 4.16Å; N804-A807 WeakPolarHBondContact O-CB 3.42Å; N804-A807 PolarHBondContact O-N 3.37Å; N804-A807 VanDerWaalsContact O-N 3.08Å; N804-A807 PolarHBondContact OD1-N 2.81Å; L805-A807 VanDerWaalsContact C-N 3.33Å; L805-A807 PolarHBondContact O-N 3.33Å; A807-N809 VanDerWaalsContact C-N 3.32Å; A807-N809 PolarHBondContact O-N 2.81Å; A807-E810 WeakPolarHBondContact O-CB 3.47Å; A807-E810 PolarHBondContact O-N 2.78Å; A807-E810 VanDerWaalsContact O-N 3.13Å; A807-L811 PolarHBondContact O-N 2.94Å
808	L	96.7	Very high	93.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.2	-36.3	178	-173.3	56	0	0	0	112.4	P747 V772 A774 N804 L805 E810 L811 L812 F819	P747-L808 HydrophobicContact CG-CD1 4.09Å; P747-L808 HydrophobicContact CG-CD2 4.06Å; P747-L808 HydrophobicContact CG-CG 4.48Å; V772-L808 HydrophobicContact CG1-CD1 3.93Å; V772-L808 HydrophobicContact CG1-CD2 3.78Å; V772-L808 HydrophobicContact CG1-CG 4.34Å; A774-L808 HydrophobicContact CB-CD2 3.7Å; N804-L808 PolarHBondContact O-N 2.96Å; L805-L808 HydrophobicContact CD2-CD2 4.13Å; L805-L808 PolarHBondContact O-N 2.84Å; L808-E810 VanDerWaalsContact C-N 3.34Å; L808-L811 HydrophobicContact CD1-CD2 4.11Å; L808-L811 WeakPolarHBondContact O-CB 3.25Å; L808-L811 PolarHBondContact O-N 3.36Å; L808-L812 HydrophobicContact CD1-CD1 4.21Å; L808-L812 HydrophobicContact CD1-CG 4.33Å; L808-L812 HydrophobicContact CG-CD1 4.1Å; L808-L812 WeakPolarHBondContact O-CB 3.34Å; L808-L812 VanDerWaalsContact O-CG 3.31Å; L808-L812 WeakPolarHBondContact O-CG 3.06Å; L808-L812 PolarHBondContact O-N 3.47Å; L808-F819 HydrophobicContact CD2-CD2 4.04Å; L808-F819 HydrophobicContact CD2-CE2 3.57Å; L808-F819 HydrophobicContact CD2-CZ 4.4Å; L808-F819 HydrophobicContact CG-CD2 4.37Å; L808-F819 HydrophobicContact CG-CE2 4.08Å
809	N	96.7	Very high	94.4	Very high	18 Å²	18	13 Å²	13	10%	0.096	7%	0.071	C	C	.	.	H	α-helix	trans	-65.2	-36.7	173	-80.2	-11.2	0	0	0	111.8	L805 P806 A807 L812 L813 E818 F819 P993	L805-N809 VanDerWaalsContact O-CB 3.24Å; L805-N809 WeakPolarHBondContact O-CB 3.14Å; L805-N809 VanDerWaalsContact O-CG 3.23Å; L805-N809 PolarHBondContact O-N 2.76Å; P806-N809 PolarHBondContact O-N 2.95Å; A807-N809 VanDerWaalsContact C-N 3.32Å; A807-N809 PolarHBondContact O-N 2.81Å; N809-L812 PolarHBondContact O-N 2.9Å; N809-L813 WeakPolarHBondContact O-CB 3.03Å; N809-L813 PolarHBondContact O-N 2.96Å; N809-E818 HydrophobicContact CB-CG 4.38Å; N809-E818 WeakPolarHBondContact ND2-CG 3.33Å; N809-E818 WeakPolarHBondContact OD1-CA 3.35Å; N809-F819 PolarHBondContact ND2-O 2.85Å; N809-F819 PolarHBondContact OD1-N 3.47Å; N809-P993 WeakPolarHBondContact ND2-CD 3.5Å; N809-P993 WeakPolarHBondContact ND2-CG 3.27Å
810	E	95.1	Very high	94.9	Very high	19 Å²	19	12.7 Å²	12.7	9%	0.089	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-42.7	172.3	-71.4	-174.6	-178.4	0	0	111.7	I756 P806 A807 L808 L812 L813 R995 Y1021	I756-E810 HydrophobicContact CD1-CB 4.22Å; P806-E810 PolarHBondContact O-N 3.48Å; P806-E810 VanDerWaalsContact O-N 3.14Å; A807-E810 WeakPolarHBondContact O-CB 3.47Å; A807-E810 PolarHBondContact O-N 2.78Å; A807-E810 VanDerWaalsContact O-N 3.13Å; L808-E810 VanDerWaalsContact C-N 3.34Å; E810-L812 VanDerWaalsContact C-N 3.29Å; E810-L812 PolarHBondContact O-N 2.93Å; E810-L813 WeakPolarHBondContact O-CB 3.48Å; E810-L813 PolarHBondContact O-N 2.92Å; E810-R995 IonicContact OE1-CZ 3.21Å; E810-R995 IonicContact OE1-NH1 3.66Å; E810-R995 PolarHBondContact OE1-NH1 2.89Å; E810-R995 IonicContact OE1-NH2 3.39Å; E810-R995 PolarHBondContact OE1-NH2 3.38Å; E810-R995 VanDerWaalsContact OE1-NH2 3.07Å; E810-R995 IonicContact OE2-CZ 3.62Å; E810-R995 IonicContact OE2-NH1 2.62Å; E810-R995 IonicContact OE2-NH2 3.39Å; E810-R995 PolarHBondContact OE2-NH2 3.13Å; E810-Y1021 VanDerWaalsContact CD-CD1 3.49Å; E810-Y1021 HydrophobicContact CG-CD1 3.9Å; E810-Y1021 HydrophobicContact CG-CE1 3.86Å; E810-Y1021 WeakPolarHBondContact OE1-CA 3.32Å; E810-Y1021 WeakPolarHBondContact OE1-CD1 3.28Å
811	L	97	Very high	95.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.9	-39.8	175.1	-175.8	69.6	0	0	0	112.3	F731 I744 F751 I756 L759 A807 L808 P814	F731-L811 HydrophobicContact CE2-CD1 4.1Å; I744-L811 HydrophobicContact CD1-CD2 3.57Å; F751-L811 HydrophobicContact CB-CD1 4.36Å; F751-L811 HydrophobicContact CD1-CD1 4.13Å; F751-L811 HydrophobicContact CD1-CD2 4.06Å; F751-L811 HydrophobicContact CD2-CB 3.91Å; F751-L811 HydrophobicContact CD2-CD2 4.23Å; F751-L811 HydrophobicContact CD2-CG 4.46Å; F751-L811 HydrophobicContact CE1-CD2 3.77Å; F751-L811 HydrophobicContact CE2-CB 4.2Å; F751-L811 HydrophobicContact CE2-CD2 3.96Å; F751-L811 HydrophobicContact CG-CB 4.27Å; F751-L811 HydrophobicContact CG-CD1 4.08Å; F751-L811 HydrophobicContact CG-CD2 4.29Å; F751-L811 HydrophobicContact CG-CG 4.44Å; F751-L811 HydrophobicContact CZ-CD2 3.72Å; I756-L811 HydrophobicContact CG1-CD1 4.06Å; L759-L811 HydrophobicContact CD2-CD1 3.66Å; L759-L811 HydrophobicContact CD2-CD2 3.92Å; L759-L811 HydrophobicContact CD2-CG 3.78Å; A807-L811 PolarHBondContact O-N 2.94Å; L808-L811 HydrophobicContact CD1-CD2 4.11Å; L808-L811 WeakPolarHBondContact O-CB 3.25Å; L808-L811 PolarHBondContact O-N 3.36Å; L811-P814 WeakPolarHBondContact O-CD 3.26Å
812	L	97.3	Very high	95.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-88.5	-8.6	-177	-67.5	178	0	0	0	114.1	L770 V772 L808 N809 E810 P814 F815 N816 I817 F819 I935	L770-L812 HydrophobicContact CD2-CD2 3.95Å; V772-L812 HydrophobicContact CG2-CD2 4.43Å; L808-L812 HydrophobicContact CD1-CD1 4.21Å; L808-L812 HydrophobicContact CD1-CG 4.33Å; L808-L812 HydrophobicContact CG-CD1 4.1Å; L808-L812 WeakPolarHBondContact O-CB 3.34Å; L808-L812 VanDerWaalsContact O-CG 3.31Å; L808-L812 WeakPolarHBondContact O-CG 3.06Å; L808-L812 PolarHBondContact O-N 3.47Å; N809-L812 PolarHBondContact O-N 2.9Å; E810-L812 VanDerWaalsContact C-N 3.29Å; E810-L812 PolarHBondContact O-N 2.93Å; L812-P814 VanDerWaalsContact C-CD 3.45Å; L812-F815 HydrophobicContact CD2-CD2 4.23Å; L812-F815 WeakPolarHBondContact O-CA 3.46Å; L812-F815 WeakPolarHBondContact O-CB 3.43Å; L812-F815 PolarHBondContact O-N 3.19Å; L812-N816 PolarHBondContact O-N 2.78Å; L812-I817 HydrophobicContact CB-CB 4.16Å; L812-I817 HydrophobicContact CB-CG2 4.49Å; L812-I817 HydrophobicContact CD1-CG2 4.07Å; L812-I817 PolarHBondContact O-N 2.84Å; L812-F819 HydrophobicContact CD1-CD2 4.37Å; L812-F819 HydrophobicContact CD1-CE2 3.87Å; L812-I935 HydrophobicContact CD1-CD1 4.22Å; L812-I935 HydrophobicContact CD1-CG2 4.28Å; L812-I935 HydrophobicContact CD2-CD1 4.02Å
813	L	95.2	Very high	95.6	Very high	74 Å²	74	14.8 Å²	14.8	39%	0.387	8%	0.081	S	C	.	.	G	3₁₀ helix	trans	-53.7	-43.5	-178.6	-177.9	66.1	0	0	0	113.5	N809 E810 F815 N816 Y1021	N809-L813 WeakPolarHBondContact O-CB 3.03Å; N809-L813 PolarHBondContact O-N 2.96Å; E810-L813 WeakPolarHBondContact O-CB 3.48Å; E810-L813 PolarHBondContact O-N 2.92Å; L813-F815 PolarHBondContact O-N 3.37Å; L813-F815 VanDerWaalsContact O-N 3.14Å; L813-N816 PolarHBondContact O-N 3.29Å; L813-Y1021 HydrophobicContact CD2-CE1 4.18Å
814	P	95.3	Very high	95.7	Very high	48 Å²	48	15 Å²	15	31%	0.312	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25	176.7	-24.8	35.8	0	0	0	114	I756 F760 L811 L812	I756-P814 HydrophobicContact CG2-CG 3.53Å; F760-P814 HydrophobicContact CB-CB 4.16Å; F760-P814 HydrophobicContact CD2-CB 3.36Å; F760-P814 HydrophobicContact CE2-CB 3.83Å; F760-P814 WeakPolarHBondContact CE2-O 3.41Å; F760-P814 HydrophobicContact CG-CB 3.86Å; L811-P814 WeakPolarHBondContact O-CD 3.26Å; L812-P814 VanDerWaalsContact C-CD 3.45Å
815	F	95.4	Very high	95.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-89.9	0.1	176.5	-53.3	-74	0	0	0	113.1	F760 V763 L812 L813 I817 I851 L933	F760-F815 HydrophobicContact CB-CZ 4.39Å; F760-F815 AromaticContact CD2-CD1 3.95Å; F760-F815 HydrophobicContact CD2-CD1 3.95Å; F760-F815 AromaticContact CD2-CE1 3.58Å; F760-F815 HydrophobicContact CD2-CE1 3.58Å; F760-F815 HydrophobicContact CD2-CE2 4.47Å; F760-F815 AromaticContact CD2-CZ 3.89Å; F760-F815 HydrophobicContact CD2-CZ 3.89Å; F760-F815 HydrophobicContact CE2-CD1 4.15Å; F760-F815 HydrophobicContact CE2-CE1 4.11Å; V763-F815 HydrophobicContact CB-CE1 3.88Å; V763-F815 HydrophobicContact CB-CZ 3.86Å; V763-F815 HydrophobicContact CG1-CE1 3.76Å; V763-F815 HydrophobicContact CG1-CZ 4.15Å; V763-F815 HydrophobicContact CG2-CE1 4.3Å; V763-F815 HydrophobicContact CG2-CZ 3.83Å; L812-F815 HydrophobicContact CD2-CD2 4.23Å; L812-F815 WeakPolarHBondContact O-CA 3.46Å; L812-F815 WeakPolarHBondContact O-CB 3.43Å; L812-F815 PolarHBondContact O-N 3.19Å; L813-F815 PolarHBondContact O-N 3.37Å; L813-F815 VanDerWaalsContact O-N 3.14Å; F815-I817 VanDerWaalsContact C-N 3.28Å; F815-I817 HydrophobicContact CB-CD1 3.94Å; F815-I817 HydrophobicContact CB-CG1 4.18Å; F815-I817 PolarHBondContact O-N 2.82Å; F815-I851 HydrophobicContact CB-CD1 4.43Å; F815-I851 HydrophobicContact CD1-CD1 4.23Å; F815-I851 HydrophobicContact CD1-CG2 3.99Å; F815-L933 HydrophobicContact CB-CD1 3.94Å; F815-L933 HydrophobicContact CD1-CD1 3.74Å; F815-L933 HydrophobicContact CD1-CD2 4.39Å; F815-L933 HydrophobicContact CE1-CD1 4.44Å; F815-L933 HydrophobicContact CE1-CD2 4.33Å; F815-L933 HydrophobicContact CG-CD1 3.91Å
816	N	94.5	Very high	95.4	Very high	60 Å²	60	15.1 Å²	15.1	32%	0.321	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	38.5	-173.3	-82.4	-56.3	0	0	0	113.3	L812 L813 K845 L847	L812-N816 PolarHBondContact O-N 2.78Å; L813-N816 PolarHBondContact O-N 3.29Å; N816-K845 PolarHBondContact OD1-NZ 3.47Å; N816-L847 HydrophobicContact CB-CB 3.9Å; N816-L847 HydrophobicContact CB-CD1 4.22Å; N816-L847 HydrophobicContact CB-CD2 4.18Å; N816-L847 HydrophobicContact CB-CG 4.33Å; N816-L847 PolarHBondContact O-N 3.08Å
817	I	96.5	Very high	95.3	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	11%	0.107	C	C	.	.			trans	-112.1	139.8	176.3	-61.2	168.5	0	0	0	108.9	L812 F815 L843 K845 F846 L933 I935	L812-I817 HydrophobicContact CB-CB 4.16Å; L812-I817 HydrophobicContact CB-CG2 4.49Å; L812-I817 HydrophobicContact CD1-CG2 4.07Å; L812-I817 PolarHBondContact O-N 2.84Å; F815-I817 VanDerWaalsContact C-N 3.28Å; F815-I817 HydrophobicContact CB-CD1 3.94Å; F815-I817 HydrophobicContact CB-CG1 4.18Å; F815-I817 PolarHBondContact O-N 2.82Å; I817-L843 HydrophobicContact CG2-CD2 4.14Å; I817-K845 WeakPolarHBondContact CA-O 3.31Å; I817-F846 HydrophobicContact CB-CD2 4.43Å; I817-F846 HydrophobicContact CD1-CD2 4.18Å; I817-F846 HydrophobicContact CD1-CE2 3.69Å; I817-F846 HydrophobicContact CD1-CZ 3.94Å; I817-F846 HydrophobicContact CG1-CD2 3.86Å; I817-F846 HydrophobicContact CG1-CE2 3.91Å; I817-F846 HydrophobicContact CG1-CG 4.29Å; I817-F846 HydrophobicContact CG1-CZ 4.4Å; I817-F846 HydrophobicContact CG2-CD2 3.87Å; I817-F846 HydrophobicContact CG2-CE2 4.12Å; I817-L933 HydrophobicContact CD1-CD1 3.78Å; I817-I935 HydrophobicContact CD1-CG1 4Å; I817-I935 HydrophobicContact CG2-CG1 4.24Å; I817-I935 HydrophobicContact CG2-CG2 4.3Å
818	E	96.8	Very high	95.1	Very high	32 Å²	32	20.1 Å²	20.1	15%	0.15	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	133.7	-177.8	-160.8	-172.2	137.8	0	0	110.4	N809 R844 K845 A992	N809-E818 HydrophobicContact CB-CG 4.38Å; N809-E818 WeakPolarHBondContact ND2-CG 3.33Å; N809-E818 WeakPolarHBondContact OD1-CA 3.35Å; E818-R844 PolarHBondContact O-N 2.89Å; E818-R844 WeakPolarHBondContact OE1-CD 3.24Å; E818-R844 IonicContact OE1-CZ 2.68Å; E818-R844 IonicContact OE1-NE 3.85Å; E818-R844 IonicContact OE1-NH1 3.41Å; E818-R844 PolarHBondContact OE1-NH1 3.41Å; E818-R844 IonicContact OE2-NH1 2.99Å; E818-R844 PolarHBondContact OE2-NH1 3.44Å; E818-K845 HydrophobicContact CB-CB 3.6Å; E818-K845 PolarHBondContact N-O 3.35Å; E818-K845 PolarHBondContact O-N 2.72Å; E818-A992 WeakPolarHBondContact OE1-CB 3.23Å
819	F	97.7	Very high	94.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	148	166.3	-69.6	-81.8	0	0	0	111.4	A774 L805 L808 N809 L812 S841 S842 L843 I935 P993	A774-F819 HydrophobicContact CB-CD1 4.46Å; A774-F819 HydrophobicContact CB-CD2 4.49Å; A774-F819 HydrophobicContact CB-CE1 3.82Å; A774-F819 HydrophobicContact CB-CE2 3.84Å; A774-F819 HydrophobicContact CB-CZ 3.43Å; A774-F819 VanDerWaalsContact CB-CZ 3.43Å; L805-F819 HydrophobicContact CD1-CB 4.21Å; L805-F819 HydrophobicContact CD2-CB 4.35Å; L805-F819 HydrophobicContact CD2-CD2 4.26Å; L805-F819 HydrophobicContact CD2-CG 4.25Å; L808-F819 HydrophobicContact CD2-CD2 4.04Å; L808-F819 HydrophobicContact CD2-CE2 3.57Å; L808-F819 HydrophobicContact CD2-CZ 4.4Å; L808-F819 HydrophobicContact CG-CD2 4.37Å; L808-F819 HydrophobicContact CG-CE2 4.08Å; N809-F819 PolarHBondContact ND2-O 2.85Å; N809-F819 PolarHBondContact OD1-N 3.47Å; L812-F819 HydrophobicContact CD1-CD2 4.37Å; L812-F819 HydrophobicContact CD1-CE2 3.87Å; F819-S841 WeakPolarHBondContact CD1-OG 3.27Å; F819-S842 CarbonylContact C-O 3.49Å; F819-S842 VanDerWaalsContact CA-O 3.31Å; F819-S842 WeakPolarHBondContact CA-O 3.39Å; F819-L843 HydrophobicContact CD1-CD2 3.97Å; F819-L843 HydrophobicContact CE1-CD2 3.82Å; F819-L843 HydrophobicContact CZ-CD2 4.27Å; F819-I935 HydrophobicContact CE1-CG2 3.95Å; F819-I935 HydrophobicContact CE2-CG2 3.63Å; F819-I935 HydrophobicContact CZ-CG2 3.17Å; F819-P993 WeakPolarHBondContact O-CD 3.2Å
820	G	96.4	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	167.1	167	0	0	0	0	0	112.3	S842 T991	G820-S842 PolarHBondContact N-O 2.91Å; G820-T991 CarbonylContact C-O 3.6Å; G820-T991 WeakPolarHBondContact CA-O 3.16Å
821	D	94.5	Very high	93.9	Very high	27 Å²	27	23.7 Å²	23.7	14%	0.144	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-4.4	-179.1	65.8	-4.5	0	0	0	114.6	Y777 N778 T991 P993	Y777-D821 WeakPolarHBondContact O-CA 3.29Å; N778-D821 VanDerWaalsContact CB-O 3.29Å; N778-D821 WeakPolarHBondContact CB-O 3.48Å; N778-D821 PolarHBondContact ND2-O 3Å; D821-T991 PolarHBondContact N-O 3.34Å; D821-T991 PolarHBondContact OD1-OG1 2.65Å; D821-T991 WeakPolarHBondContact OD2-CB 3.05Å; D821-T991 PolarHBondContact OD2-OG1 3.07Å; D821-P993 HydrophobicContact CB-CB 3.97Å
822	S	94.3	Very high	93.3	Very high	16 Å²	16	32.9 Å²	32.9	11%	0.112	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	140.9	-179.6	-57.9	0	0	0	0	110.6	F824 L990	S822-F824 VanDerWaalsContact CB-CE2 3.49Å; S822-L990 WeakPolarHBondContact OG-CD2 3.45Å
823	V	95.1	Very high	92.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.5	-174.3	-172.9	0	0	0	0	109.9	L692 W776 N778 V781 S839 D867 I868 S869	L692-V823 HydrophobicContact CD1-CG1 4.11Å; W776-V823 HydrophobicContact CB-CB 4.3Å; W776-V823 HydrophobicContact CB-CG1 3.73Å; W776-V823 HydrophobicContact CB-CG2 3.74Å; W776-V823 HydrophobicContact CE3-CG2 4.45Å; W776-V823 HydrophobicContact CG-CG1 4.18Å; W776-V823 HydrophobicContact CG-CG2 4.5Å; N778-V823 HydrophobicContact CB-CG2 3.89Å; V781-V823 HydrophobicContact CG2-CG2 4.31Å; V823-S839 WeakPolarHBondContact CG1-O 3.24Å; V823-D867 CarbonylContact O-C 3.55Å; V823-D867 WeakPolarHBondContact O-CA 3.13Å; V823-D867 VanDerWaalsContact O-OD1 3.13Å; V823-I868 HydrophobicContact CB-CG1 4.2Å; V823-I868 HydrophobicContact CG1-CD1 3.88Å; V823-I868 HydrophobicContact CG1-CG1 3.81Å; V823-I868 VanDerWaalsContact O-CG1 3.31Å; V823-I868 WeakPolarHBondContact O-CG1 3.28Å; V823-I868 PolarHBondContact O-N 2.86Å; V823-S869 PolarHBondContact O-N 2.81Å
824	F	95.4	Very high	92.5	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.4	-173.1	-61.3	-79.9	0	0	0	112	S822 Y837 S839 G840 S842 L865 V866 D867 P911 P913 L990	S822-F824 VanDerWaalsContact CB-CE2 3.49Å; F824-Y837 HydrophobicContact CB-CD1 4.24Å; F824-Y837 HydrophobicContact CB-CE1 4.14Å; F824-Y837 WeakPolarHBondContact O-CD1 3.3Å; F824-S839 CarbonylContact O-C 3.6Å; F824-S839 WeakPolarHBondContact O-CA 3.39Å; F824-S839 PolarHBondContact O-N 3.48Å; F824-S839 VanDerWaalsContact O-N 3.08Å; F824-G840 PolarHBondContact N-O 3.31Å; F824-G840 PolarHBondContact O-N 2.95Å; F824-S842 WeakPolarHBondContact CE2-OG 3.36Å; F824-L865 HydrophobicContact CB-CB 4.03Å; F824-L865 HydrophobicContact CB-CD1 3.9Å; F824-L865 HydrophobicContact CD1-CB 4.37Å; F824-V866 CarbonylContact C-O 3.2Å; F824-V866 VanDerWaalsContact CA-O 3.3Å; F824-V866 WeakPolarHBondContact CA-O 3.3Å; F824-D867 HydrophobicContact CD1-CB 4.06Å; F824-D867 HydrophobicContact CE1-CB 3.85Å; F824-P911 HydrophobicContact CD1-CG 4.29Å; F824-P911 HydrophobicContact CE1-CB 4.31Å; F824-P911 HydrophobicContact CE1-CG 3.62Å; F824-P913 HydrophobicContact CD1-CB 4.37Å; F824-P913 HydrophobicContact CD1-CG 3.7Å; F824-P913 HydrophobicContact CD2-CB 4.15Å; F824-P913 HydrophobicContact CD2-CG 4.06Å; F824-P913 HydrophobicContact CE1-CB 4.06Å; F824-P913 HydrophobicContact CE1-CG 3.8Å; F824-P913 HydrophobicContact CE2-CB 3.85Å; F824-P913 HydrophobicContact CE2-CG 4.17Å; F824-P913 HydrophobicContact CG-CB 4.39Å; F824-P913 HydrophobicContact CG-CG 3.82Å; F824-P913 HydrophobicContact CZ-CB 3.79Å; F824-P913 HydrophobicContact CZ-CG 4.04Å; F824-L990 HydrophobicContact CE2-CD2 4.49Å; F824-L990 HydrophobicContact CZ-CD2 4.15Å
825	S	93.7	Very high	92.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.6	172.8	-174.8	0	0	0	0	111.6	Y837 V866	S825-Y837 VanDerWaalsContact CA-O 3.27Å; S825-Y837 WeakPolarHBondContact CA-O 3.33Å; S825-Y837 PolarHBondContact OG-O 3.14Å; S825-V866 PolarHBondContact N-O 3.49Å; S825-V866 PolarHBondContact O-N 3.48Å
826	G	91.7	Very high	91.9	Very high	5 Å²	5	37.3 Å²	37.3	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.5	-177.8	177	0	0	0	0	0	112.6	Y837	G826-Y837 PolarHBondContact N-O 3.47Å; G826-Y837 WeakPolarHBondContact O-CB 3.36Å; G826-Y837 PolarHBondContact O-N 2.72Å
827	N	90.9	Very high	91.8	Very high	98 Å²	98	34.4 Å²	34.4	52%	0.524	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.6	177.6	-66.8	-24.5	0	0	0	109.9	T834 V835 A836	N827-T834 HydrophobicContact CB-CG2 3.8Å; N827-V835 WeakPolarHBondContact CA-O 3.4Å; N827-A836 VanDerWaalsContact OD1-CA 3.28Å; N827-A836 WeakPolarHBondContact OD1-CA 3.42Å; N827-A836 VanDerWaalsContact OD1-CB 3.29Å; N827-A836 WeakPolarHBondContact OD1-CB 3.03Å
828	Y	91.4	Very high	91.5	Very high	15 Å²	15	36 Å²	36	6%	0.059	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	159	173	70.5	-83.3	0	0	0	110.7	I830 T834 V835 Y837 L861 A863 I915 Y936	Y828-I830 HydrophobicContact CD2-CD1 4.27Å; Y828-I830 HydrophobicContact CD2-CG1 3.99Å; Y828-I830 HydrophobicContact CE2-CD1 3.52Å; Y828-I830 HydrophobicContact CE2-CG1 3.73Å; Y828-T834 WeakPolarHBondContact O-CA 3.48Å; Y828-V835 HydrophobicContact CD1-CB 4.21Å; Y828-V835 WeakPolarHBondContact CD1-O 3.43Å; Y828-V835 HydrophobicContact CE1-CB 3.61Å; Y828-V835 HydrophobicContact CE1-CG1 3.63Å; Y828-V835 HydrophobicContact CE2-CB 4.04Å; Y828-V835 HydrophobicContact CE2-CG2 4.36Å; Y828-V835 PolarHBondContact N-O 3.06Å; Y828-V835 PolarHBondContact O-N 3.5Å; Y828-V835 WeakPolarHBondContact OH-CG1 3.33Å; Y828-Y837 AromaticContact CE1-CD2 3.94Å; Y828-Y837 HydrophobicContact CE1-CD2 3.94Å; Y828-L861 HydrophobicContact CE2-CD2 4.27Å; Y828-A863 HydrophobicContact CD1-CB 4.37Å; Y828-A863 HydrophobicContact CD2-CB 4.42Å; Y828-A863 HydrophobicContact CG-CB 3.95Å; Y828-I915 HydrophobicContact CD1-CD1 4Å; Y828-I915 HydrophobicContact CD2-CD1 4.15Å; Y828-I915 HydrophobicContact CE1-CD1 3.69Å; Y828-I915 HydrophobicContact CE2-CD1 3.82Å; Y828-I915 HydrophobicContact CG-CD1 4.22Å; Y828-Y936 WeakPolarHBondContact CE1-OH 3.14Å; Y828-Y936 WeakPolarHBondContact OH-CE2 3.33Å; Y828-Y936 PolarHBondContact OH-OH 2.83Å
829	V	89.9	Confident	91.3	Very high	76 Å²	76	34.4 Å²	34.4	46%	0.461	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121	-172.1	-177.8	0	0	0	0	110.4	R833 T834 Q976	V829-R833 CarbonylContact C-O 3.57Å; V829-R833 WeakPolarHBondContact CA-O 3.45Å; V829-T834 HydrophobicContact CG2-CG2 4.47Å; V829-Q976 PolarHBondContact O-NE2 3.47Å; V829-Q976 PolarHBondContact O-OE1 2.76Å
830	I	87.9	Confident	91.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107.4	169.8	-58.3	176.4	0	0	0	109.7	Y828 H832 R833 L861 W953 I972 L973 Q976	Y828-I830 HydrophobicContact CD2-CD1 4.27Å; Y828-I830 HydrophobicContact CD2-CG1 3.99Å; Y828-I830 HydrophobicContact CE2-CD1 3.52Å; Y828-I830 HydrophobicContact CE2-CG1 3.73Å; I830-H832 PolarHBondContact O-N 2.77Å; I830-R833 PolarHBondContact N-O 3.23Å; I830-R833 PolarHBondContact O-N 2.63Å; I830-L861 HydrophobicContact CD1-CD2 3.9Å; I830-W953 HydrophobicContact CB-CH2 3.58Å; I830-W953 HydrophobicContact CB-CZ2 4.06Å; I830-W953 HydrophobicContact CD1-CH2 3.47Å; I830-W953 VanDerWaalsContact CD1-CH2 3.47Å; I830-W953 HydrophobicContact CD1-CZ2 4.03Å; I830-W953 HydrophobicContact CG1-CH2 4.05Å; I830-W953 HydrophobicContact CG1-CZ2 4.47Å; I830-W953 HydrophobicContact CG2-CH2 3.65Å; I830-W953 HydrophobicContact CG2-CZ3 4.27Å; I830-I972 HydrophobicContact CG2-CG2 3.85Å; I830-L973 HydrophobicContact CD1-CD1 3.74Å; I830-L973 HydrophobicContact CG2-CD1 4.45Å; I830-Q976 VanDerWaalsContact CA-OE1 3.25Å; I830-Q976 VanDerWaalsContact CG1-OE1 3.26Å
831	G	84.9	Confident	91.1	Very high	35 Å²	35	34.5 Å²	34.5	36%	0.361	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-101.4	-174.2	0	0	0	0	0	112.5
832	H	85.1	Confident	91.2	Very high	194 Å²	194	33.2 Å²	33.2	90%	0.898	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115	6.8	176	-63.5	-18.1	0	0	0	113	I830	I830-H832 PolarHBondContact O-N 2.77Å
833	R	87.3	Confident	91.3	Very high	132 Å²	132	32.4 Å²	32.4	50%	0.498	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.6	-177.4	-59.6	-178.2	-176.4	-136.4	0.2	109	V829 I830 W953	V829-R833 CarbonylContact C-O 3.57Å; V829-R833 WeakPolarHBondContact CA-O 3.45Å; I830-R833 PolarHBondContact N-O 3.23Å; I830-R833 PolarHBondContact O-N 2.63Å; R833-W953 HydrophobicContact CB-CZ2 4.06Å
834	T	88.2	Confident	91.4	Very high	78 Å²	78	35.4 Å²	35.4	48%	0.479	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.4	169.2	-54.7	0	0	0	0	108.4	N827 Y828 V829	N827-T834 HydrophobicContact CB-CG2 3.8Å; Y828-T834 WeakPolarHBondContact O-CA 3.48Å; V829-T834 HydrophobicContact CG2-CG2 4.47Å
835	V	89.5	Confident	91.4	Very high	2 Å²	2	37 Å²	37	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.1	173	-177.1	0	0	0	0	107.2	N827 Y828 C951 W953	N827-V835 WeakPolarHBondContact CA-O 3.4Å; Y828-V835 HydrophobicContact CD1-CB 4.21Å; Y828-V835 WeakPolarHBondContact CD1-O 3.43Å; Y828-V835 HydrophobicContact CE1-CB 3.61Å; Y828-V835 HydrophobicContact CE1-CG1 3.63Å; Y828-V835 HydrophobicContact CE2-CB 4.04Å; Y828-V835 HydrophobicContact CE2-CG2 4.36Å; Y828-V835 PolarHBondContact N-O 3.06Å; Y828-V835 PolarHBondContact O-N 3.5Å; Y828-V835 WeakPolarHBondContact OH-CG1 3.33Å; V835-C951 HydrophobicContact CG1-CB 3.95Å; V835-W953 HydrophobicContact CG2-CZ2 3.45Å; V835-W953 VanDerWaalsContact CG2-CZ2 3.45Å
836	A	89.3	Confident	91.5	Very high	2 Å²	2	37 Å²	37	2%	0.017	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	140.3	171.4	0	0	0	0	0	109.4	N827 H838	N827-A836 VanDerWaalsContact OD1-CA 3.28Å; N827-A836 WeakPolarHBondContact OD1-CA 3.42Å; N827-A836 VanDerWaalsContact OD1-CB 3.29Å; N827-A836 WeakPolarHBondContact OD1-CB 3.03Å; A836-H838 WeakPolarHBondContact CB-CE1 3.46Å; A836-H838 VanDerWaalsContact CB-NE2 3.3Å; A836-H838 WeakPolarHBondContact CB-NE2 3.27Å
837	Y	92.4	Very high	91.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.1	176.1	-156.2	-93.3	0	0	0	106.2	F824 S825 G826 Y828 G840 S841 L865 I915 Y936 G937 D938	F824-Y837 HydrophobicContact CB-CD1 4.24Å; F824-Y837 HydrophobicContact CB-CE1 4.14Å; F824-Y837 WeakPolarHBondContact O-CD1 3.3Å; S825-Y837 VanDerWaalsContact CA-O 3.27Å; S825-Y837 WeakPolarHBondContact CA-O 3.33Å; S825-Y837 PolarHBondContact OG-O 3.14Å; G826-Y837 PolarHBondContact N-O 3.47Å; G826-Y837 WeakPolarHBondContact O-CB 3.36Å; G826-Y837 PolarHBondContact O-N 2.72Å; Y828-Y837 AromaticContact CE1-CD2 3.94Å; Y828-Y837 HydrophobicContact CE1-CD2 3.94Å; Y837-G840 VanDerWaalsContact CE1-CA 3.43Å; Y837-S841 PolarHBondContact OH-O 2.8Å; Y837-L865 HydrophobicContact CD1-CD1 3.6Å; Y837-L865 HydrophobicContact CD2-CD1 4.36Å; Y837-L865 HydrophobicContact CE1-CD1 4Å; Y837-L865 HydrophobicContact CG-CD1 3.78Å; Y837-I915 HydrophobicContact CD2-CD1 4.31Å; Y837-I915 HydrophobicContact CE1-CG2 4.39Å; Y837-I915 HydrophobicContact CE2-CB 3.83Å; Y837-I915 HydrophobicContact CE2-CD1 4.21Å; Y837-I915 HydrophobicContact CE2-CG2 3.91Å; Y837-Y936 HydrophobicContact CD2-CE2 4.5Å; Y837-Y936 AromaticContact CD2-CZ 3.96Å; Y837-Y936 WeakPolarHBondContact CD2-OH 3.2Å; Y837-Y936 HydrophobicContact CE2-CE1 4.32Å; Y837-Y936 HydrophobicContact CE2-CE2 4Å; Y837-Y936 AromaticContact CE2-CZ 3.72Å; Y837-G937 WeakPolarHBondContact OH-CA 3.15Å; Y837-G937 PolarHBondContact OH-O 3.45Å; Y837-D938 HydrophobicContact CD1-CB 4.27Å; Y837-D938 HydrophobicContact CD2-CB 3.65Å; Y837-D938 HydrophobicContact CE1-CB 4.04Å; Y837-D938 HydrophobicContact CE2-CB 3.37Å; Y837-D938 HydrophobicContact CG-CB 4.1Å
838	H	89.2	Confident	91	Very high	36 Å²	36	33.6 Å²	33.6	17%	0.167	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	77.3	-166.3	-64.1	136.8	0	0	0	110.7	D691 A836 D938 D940	D691-H838 HydrophobicContact CB-CB 3.92Å; A836-H838 WeakPolarHBondContact CB-CE1 3.46Å; A836-H838 VanDerWaalsContact CB-NE2 3.3Å; A836-H838 WeakPolarHBondContact CB-NE2 3.27Å; H838-D938 PolarHBondContact N-OD1 3.31Å; H838-D938 PolarHBondContact N-OD2 2.81Å; H838-D940 HydrophobicContact CB-CB 3.95Å; H838-D940 IonicContact CE1-OD2 3.11Å; H838-D940 IonicContact CG-OD2 3.34Å; H838-D940 IonicContact ND1-OD2 2.75Å; H838-D940 PolarHBondContact ND1-OD2 3.17Å
839	S	92	Very high	90.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.9	31.7	178.1	-37.8	0	0	0	0	113.3	D690 L692 W776 V823 F824 I868	D690-S839 WeakPolarHBondContact O-CB 3.37Å; L692-S839 WeakPolarHBondContact CB-OG 3.34Å; L692-S839 PolarHBondContact N-OG 3.08Å; W776-S839 WeakPolarHBondContact CB-O 3.45Å; V823-S839 WeakPolarHBondContact CG1-O 3.24Å; F824-S839 CarbonylContact O-C 3.6Å; F824-S839 WeakPolarHBondContact O-CA 3.39Å; F824-S839 PolarHBondContact O-N 3.48Å; F824-S839 VanDerWaalsContact O-N 3.08Å; S839-I868 WeakPolarHBondContact OG-CD1 3.48Å
840	G	94.4	Very high	90.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	169.7	170.7	0	0	0	0	0	114.7	F824 Y837 G937 D938	F824-G840 PolarHBondContact N-O 3.31Å; F824-G840 PolarHBondContact O-N 2.95Å; Y837-G840 VanDerWaalsContact CE1-CA 3.43Å; G840-G937 CarbonylContact C-O 3.52Å; G840-G937 WeakPolarHBondContact CA-O 3.46Å; G840-D938 PolarHBondContact N-OD1 3.2Å
841	S	96.3	Very high	90.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-167.5	172.9	58.7	0	0	0	0	112.4	D775 L805 F819 Y837 G937	D775-S841 WeakPolarHBondContact O-CB 3.33Å; D775-S841 PolarHBondContact O-N 2.98Å; D775-S841 PolarHBondContact O-OG 3.12Å; L805-S841 VanDerWaalsContact CD1-CB 3.45Å; F819-S841 WeakPolarHBondContact CD1-OG 3.27Å; Y837-S841 PolarHBondContact OH-O 2.8Å; S841-G937 PolarHBondContact N-O 2.83Å; S841-G937 PolarHBondContact OG-O 3.28Å
842	S	96.5	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	160.7	172.9	65.5	0	0	0	0	111	F819 G820 F824 R844 T914 L990	F819-S842 CarbonylContact C-O 3.49Å; F819-S842 VanDerWaalsContact CA-O 3.31Å; F819-S842 WeakPolarHBondContact CA-O 3.39Å; G820-S842 PolarHBondContact N-O 2.91Å; F824-S842 WeakPolarHBondContact CE2-OG 3.36Å; S842-R844 PolarHBondContact O-N 3.35Å; S842-T914 WeakPolarHBondContact CB-O 3.48Å; S842-L990 WeakPolarHBondContact OG-CD1 3.49Å
843	L	97.4	Very high	90.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.1	176.5	-65.6	173.3	0	0	0	110.1	I817 F819 F846 T914 G917 I935 W985	I817-L843 HydrophobicContact CG2-CD2 4.14Å; F819-L843 HydrophobicContact CD1-CD2 3.97Å; F819-L843 HydrophobicContact CE1-CD2 3.82Å; F819-L843 HydrophobicContact CZ-CD2 4.27Å; L843-F846 HydrophobicContact CD1-CD2 3.77Å; L843-F846 HydrophobicContact CD1-CE2 4.18Å; L843-F846 HydrophobicContact CD2-CD2 4.32Å; L843-T914 HydrophobicContact CB-CG2 4.18Å; L843-T914 HydrophobicContact CD1-CG2 4.07Å; L843-T914 PolarHBondContact N-O 3.09Å; L843-G917 VanDerWaalsContact CD1-N 3.32Å; L843-I935 HydrophobicContact CD2-CB 4.35Å; L843-I935 HydrophobicContact CD2-CG2 3.76Å; L843-W985 HydrophobicContact CB-CZ3 4.01Å; L843-W985 WeakPolarHBondContact O-CH2 3.43Å; L843-W985 WeakPolarHBondContact O-CZ3 3.4Å
844	R	96	Very high	90	Very high	62 Å²	62	34.2 Å²	34.2	23%	0.234	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-38.9	171.8	176	176.4	178.6	-82.3	-9.5	111.8	E818 S842 I986 D987 L990	E818-R844 PolarHBondContact O-N 2.89Å; E818-R844 WeakPolarHBondContact OE1-CD 3.24Å; E818-R844 IonicContact OE1-CZ 2.68Å; E818-R844 IonicContact OE1-NE 3.85Å; E818-R844 IonicContact OE1-NH1 3.41Å; E818-R844 PolarHBondContact OE1-NH1 3.41Å; E818-R844 IonicContact OE2-NH1 2.99Å; E818-R844 PolarHBondContact OE2-NH1 3.44Å; S842-R844 PolarHBondContact O-N 3.35Å; R844-I986 CarbonylContact O-C 3.56Å; R844-I986 VanDerWaalsContact O-CA 3.31Å; R844-I986 WeakPolarHBondContact O-CA 3.48Å; R844-D987 PolarHBondContact O-N 3.3Å; R844-L990 HydrophobicContact CB-CB 4.2Å; R844-L990 HydrophobicContact CB-CD1 4.37Å; R844-L990 WeakPolarHBondContact CD-O 3.28Å; R844-L990 HydrophobicContact CG-CB 4.1Å; R844-L990 PolarHBondContact NE-O 3.06Å
845	K	95.4	Very high	90	Very high	39 Å²	39	34.6 Å²	34.6	17%	0.17	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.6	-178.4	-172.3	-178.7	168.5	-167.8	0	110.1	N816 I817 E818 V984 W985 I986	N816-K845 PolarHBondContact OD1-NZ 3.47Å; I817-K845 WeakPolarHBondContact CA-O 3.31Å; E818-K845 HydrophobicContact CB-CB 3.6Å; E818-K845 PolarHBondContact N-O 3.35Å; E818-K845 PolarHBondContact O-N 2.72Å; K845-V984 HydrophobicContact CD-CG1 4.21Å; K845-V984 HydrophobicContact CG-CG1 3.64Å; K845-W985 CarbonylContact C-O 3.39Å; K845-W985 WeakPolarHBondContact CA-O 3.22Å; K845-I986 HydrophobicContact CG-CG1 4.22Å
846	F	95.3	Very high	90	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	128.7	174.2	-153.1	-81.5	0	0	0	110.7	I817 L843 T858 L860 G917 W919 I935 W985	I817-F846 HydrophobicContact CB-CD2 4.43Å; I817-F846 HydrophobicContact CD1-CD2 4.18Å; I817-F846 HydrophobicContact CD1-CE2 3.69Å; I817-F846 HydrophobicContact CD1-CZ 3.94Å; I817-F846 HydrophobicContact CG1-CD2 3.86Å; I817-F846 HydrophobicContact CG1-CE2 3.91Å; I817-F846 HydrophobicContact CG1-CG 4.29Å; I817-F846 HydrophobicContact CG1-CZ 4.4Å; I817-F846 HydrophobicContact CG2-CD2 3.87Å; I817-F846 HydrophobicContact CG2-CE2 4.12Å; L843-F846 HydrophobicContact CD1-CD2 3.77Å; L843-F846 HydrophobicContact CD1-CE2 4.18Å; L843-F846 HydrophobicContact CD2-CD2 4.32Å; F846-T858 HydrophobicContact CD1-CG2 3.33Å; F846-T858 HydrophobicContact CE1-CG2 3.55Å; F846-T858 HydrophobicContact CG-CG2 4.38Å; F846-L860 HydrophobicContact CB-CD2 4.03Å; F846-L860 HydrophobicContact CD1-CD2 3.93Å; F846-L860 HydrophobicContact CD2-CD2 4.26Å; F846-L860 HydrophobicContact CE1-CD2 4.41Å; F846-L860 HydrophobicContact CG-CD2 3.81Å; F846-G917 VanDerWaalsContact CZ-C 3.41Å; F846-W919 HydrophobicContact CE1-CB 3.93Å; F846-W919 HydrophobicContact CZ-CB 4.16Å; F846-I935 HydrophobicContact CE2-CB 4.21Å; F846-I935 HydrophobicContact CE2-CG1 4.01Å; F846-W985 HydrophobicContact CB-CE3 4.05Å; F846-W985 PolarHBondContact N-O 3.13Å; F846-W985 PolarHBondContact O-N 3.19Å
847	L	89.6	Confident	90	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.073	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.9	-178.4	-170.8	64	0	0	0	111.9	N816 A850 I851 T858 V984	N816-L847 HydrophobicContact CB-CB 3.9Å; N816-L847 HydrophobicContact CB-CD1 4.22Å; N816-L847 HydrophobicContact CB-CD2 4.18Å; N816-L847 HydrophobicContact CB-CG 4.33Å; N816-L847 PolarHBondContact O-N 3.08Å; L847-A850 WeakPolarHBondContact CD2-O 3.35Å; L847-I851 HydrophobicContact CD2-CD1 4.49Å; L847-I851 HydrophobicContact CD2-CG1 3.54Å; L847-T858 WeakPolarHBondContact O-CB 3.36Å; L847-T858 PolarHBondContact O-OG1 3Å; L847-V984 HydrophobicContact CD1-CG2 3.72Å
848	N	82.3	Confident	90	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.102	21%	0.208	C	C	.	.			trans	-111.5	-29.5	-179.3	-170.9	31	0	0	0	114.7	T858 P980 T982 E983	N848-T858 WeakPolarHBondContact OD1-CB 3.39Å; N848-T858 PolarHBondContact OD1-N 3.33Å; N848-P980 HydrophobicContact CB-CG 4.03Å; N848-P980 PolarHBondContact ND2-O 3.21Å; N848-T982 WeakPolarHBondContact CB-O 3.31Å; N848-T982 PolarHBondContact ND2-O 3.45Å; N848-E983 WeakPolarHBondContact CA-O 3.41Å; N848-E983 VanDerWaalsContact CB-O 3.27Å; N848-E983 WeakPolarHBondContact CB-O 3.37Å; N848-E983 PolarHBondContact N-O 3.27Å
849	R	79.4	Confident	90.3	Very high	144 Å²	144	39.4 Å²	39.4	54%	0.543	20%	0.202	S	C	.	.	S	Bend	trans	-98.5	-68.7	-168.5	-77.8	-171.4	179	-172.4	-3.2	116	G856 E983	R849-G856 PolarHBondContact O-N 2.94Å; R849-E983 HydrophobicContact CG-CB 4.38Å; R849-E983 HydrophobicContact CG-CG 4.49Å; R849-E983 IonicContact CZ-OE1 3.2Å; R849-E983 IonicContact NE-OE1 4Å; R849-E983 IonicContact NH1-OE1 3.76Å; R849-E983 PolarHBondContact NH1-OE1 3.14Å
850	A	85.5	Confident	90.5	Very high	45 Å²	45	39.4 Å²	39.4	37%	0.372	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	133.2	-170	0	0	0	0	0	112.4	L847 H854	L847-A850 WeakPolarHBondContact CD2-O 3.35Å; A850-H854 CarbonylContact C-O 3.58Å; A850-H854 WeakPolarHBondContact CA-O 3.5Å
851	I	87.3	Confident	90.6	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.9	171.4	-61.2	176	0	0	0	106.8	F760 T764 F815 L847 N853 H854 W919 M930 L933	F760-I851 HydrophobicContact CE2-CG2 3.81Å; F760-I851 HydrophobicContact CZ-CG2 4.3Å; T764-I851 HydrophobicContact CG2-CG2 4.09Å; F815-I851 HydrophobicContact CB-CD1 4.43Å; F815-I851 HydrophobicContact CD1-CD1 4.23Å; F815-I851 HydrophobicContact CD1-CG2 3.99Å; L847-I851 HydrophobicContact CD2-CD1 4.49Å; L847-I851 HydrophobicContact CD2-CG1 3.54Å; I851-N853 PolarHBondContact O-N 2.92Å; I851-H854 PolarHBondContact N-O 3.44Å; I851-H854 PolarHBondContact O-N 2.94Å; I851-W919 HydrophobicContact CB-CH2 4.24Å; I851-W919 HydrophobicContact CB-CZ2 4.01Å; I851-W919 HydrophobicContact CD1-CD2 3.56Å; I851-W919 HydrophobicContact CD1-CE3 3.93Å; I851-W919 HydrophobicContact CD1-CG 3.95Å; I851-W919 HydrophobicContact CD1-CH2 4.24Å; I851-W919 HydrophobicContact CD1-CZ2 3.87Å; I851-W919 HydrophobicContact CD1-CZ3 4.26Å; I851-W919 HydrophobicContact CG1-CD2 4.35Å; I851-W919 HydrophobicContact CG1-CH2 4.37Å; I851-W919 HydrophobicContact CG1-CZ2 3.8Å; I851-M930 HydrophobicContact CB-CE 3.79Å; I851-M930 HydrophobicContact CB-SD 4.25Å; I851-M930 HydrophobicContact CD1-CE 3.87Å; I851-M930 HydrophobicContact CG1-CE 4.39Å; I851-M930 HydrophobicContact CG2-CE 3.64Å; I851-M930 HydrophobicContact CG2-SD 4.37Å; I851-L933 HydrophobicContact CD1-CD1 3.61Å
852	A	85.1	Confident	90.5	Very high	59 Å²	59	43.6 Å²	43.6	49%	0.488	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-122.1	-169.7	0	0	0	0	0	110.9	F760 T764	F760-A852 HydrophobicContact CE1-CB 4.42Å; F760-A852 HydrophobicContact CZ-CB 3.97Å; T764-A852 HydrophobicContact CG2-CB 4.26Å
853	N	83.3	Confident	90.4	Very high	163 Å²	163	43.9 Å²	43.9	87%	0.872	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	4.6	178.4	-64.2	-25.8	0	0	0	113.6	I851	I851-N853 PolarHBondContact O-N 2.92Å
854	H	86.1	Confident	90.2	Very high	51 Å²	51	46.1 Å²	46.1	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.9	-174.4	-58.8	-88	0	0	0	110.8	A850 I851 W919 S928 M930	A850-H854 CarbonylContact C-O 3.58Å; A850-H854 WeakPolarHBondContact CA-O 3.5Å; I851-H854 PolarHBondContact N-O 3.44Å; I851-H854 PolarHBondContact O-N 2.94Å; H854-W919 HydrophobicContact CB-CH2 4.13Å; H854-S928 PolarHBondContact ND1-OG 2.65Å; H854-S928 VanDerWaalsContact ND1-OG 3.1Å; H854-M930 HydrophobicContact CB-CB 4.49Å; H854-M930 HydrophobicContact CB-SD 3.72Å
855	T	87.9	Confident	90.1	Very high	86 Å²	86	43.1 Å²	43.1	53%	0.528	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143	167	55.1	0	0	0	0	109.7	P921 I922	T855-P921 CarbonylContact O-C 3.56Å; T855-P921 WeakPolarHBondContact O-CA 3.02Å; T855-I922 PolarHBondContact O-N 3.33Å
856	G	88.6	Confident	90.1	Very high	7 Å²	7	41.3 Å²	41.3	7%	0.072	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	178.5	-173.6	0	0	0	0	0	112.6	R849 T920 I922	R849-G856 PolarHBondContact O-N 2.94Å; G856-T920 CarbonylContact C-O 3.54Å; G856-T920 WeakPolarHBondContact CA-O 3.08Å; G856-I922 VanDerWaalsContact O-CD1 3.23Å; G856-I922 WeakPolarHBondContact O-CD1 3.25Å
857	R	89.4	Confident	90	Very high	128 Å²	128	42.5 Å²	42.5	48%	0.483	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.7	176	-177	176.8	177.7	179.4	-0.9	109.3	T920 I922 T979	R857-T920 HydrophobicContact CB-CG2 4.44Å; R857-T920 PolarHBondContact N-O 2.91Å; R857-T920 PolarHBondContact O-N 2.57Å; R857-T920 VanDerWaalsContact O-N 3.07Å; R857-I922 HydrophobicContact CB-CD1 4.06Å; R857-I922 HydrophobicContact CB-CG1 3.99Å; R857-T979 HydrophobicContact CG-CG2 4.47Å; R857-T979 PolarHBondContact NE-OG1 2.97Å; R857-T979 PolarHBondContact NH2-OG1 3.18Å
858	T	93.5	Very high	90	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	145.8	172.3	-73.1	0	0	0	0	112.7	F846 L847 N848 L860 L918 W919 T979 P980	F846-T858 HydrophobicContact CD1-CG2 3.33Å; F846-T858 HydrophobicContact CE1-CG2 3.55Å; F846-T858 HydrophobicContact CG-CG2 4.38Å; L847-T858 WeakPolarHBondContact O-CB 3.36Å; L847-T858 PolarHBondContact O-OG1 3Å; N848-T858 WeakPolarHBondContact OD1-CB 3.39Å; N848-T858 PolarHBondContact OD1-N 3.33Å; T858-L860 HydrophobicContact CG2-CD1 4.44Å; T858-L860 HydrophobicContact CG2-CD2 3.66Å; T858-L860 HydrophobicContact CG2-CG 3.77Å; T858-L918 WeakPolarHBondContact CA-O 3.27Å; T858-W919 VanDerWaalsContact OG1-CD1 3.26Å; T858-T979 WeakPolarHBondContact O-CG2 3.43Å; T858-T979 PolarHBondContact O-OG1 3.39Å; T858-T979 VanDerWaalsContact O-OG1 3.06Å; T858-P980 HydrophobicContact CG2-CG 4Å
859	V	94.6	Very high	90.3	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.7	174.7	-174.5	0	0	0	0	107.8	L918 I969 I974 M977 F978	V859-L918 PolarHBondContact N-O 2.69Å; V859-L918 PolarHBondContact O-N 3.09Å; V859-I969 HydrophobicContact CB-CD1 4.32Å; V859-I969 HydrophobicContact CG1-CD1 4.44Å; V859-I969 HydrophobicContact CG2-CD1 4.21Å; V859-I974 HydrophobicContact CG1-CD1 3.58Å; V859-I974 HydrophobicContact CG2-CD1 4.21Å; V859-M977 HydrophobicContact CB-CE 4.1Å; V859-M977 HydrophobicContact CG1-CB 3.24Å; V859-M977 HydrophobicContact CG1-CE 3.62Å; V859-M977 HydrophobicContact CG1-CG 3.98Å; V859-M977 HydrophobicContact CG1-SD 3.59Å; V859-M977 VanDerWaalsContact CG1-SD 3.59Å; V859-M977 VanDerWaalsContact O-CE 3.3Å; V859-M977 WeakPolarHBondContact O-CE 3.49Å; V859-F978 WeakPolarHBondContact CA-O 3.45Å
860	L	96.6	Very high	90.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.5	-173.6	-61.8	-178.8	0	0	0	110.7	F846 T858 T914 L916 M977 F978 P980 W985	F846-L860 HydrophobicContact CB-CD2 4.03Å; F846-L860 HydrophobicContact CD1-CD2 3.93Å; F846-L860 HydrophobicContact CD2-CD2 4.26Å; F846-L860 HydrophobicContact CE1-CD2 4.41Å; F846-L860 HydrophobicContact CG-CD2 3.81Å; T858-L860 HydrophobicContact CG2-CD1 4.44Å; T858-L860 HydrophobicContact CG2-CD2 3.66Å; T858-L860 HydrophobicContact CG2-CG 3.77Å; L860-T914 HydrophobicContact CB-CG2 3.84Å; L860-T914 HydrophobicContact CD1-CG2 4.28Å; L860-T914 HydrophobicContact CD2-CG2 4.12Å; L860-T914 HydrophobicContact CG-CG2 4.29Å; L860-L916 CarbonylContact C-O 3.38Å; L860-L916 WeakPolarHBondContact CA-O 3.47Å; L860-M977 CarbonylContact O-C 3.57Å; L860-M977 WeakPolarHBondContact O-CA 3.45Å; L860-M977 VanDerWaalsContact O-CB 3.3Å; L860-M977 WeakPolarHBondContact O-CB 3.37Å; L860-F978 HydrophobicContact CB-CD1 4.2Å; L860-F978 HydrophobicContact CB-CE1 3.58Å; L860-F978 HydrophobicContact CB-CE2 4.2Å; L860-F978 HydrophobicContact CB-CZ 3.58Å; L860-F978 HydrophobicContact CD1-CE2 4.09Å; L860-F978 HydrophobicContact CD1-CZ 3.81Å; L860-F978 HydrophobicContact CG-CZ 4.3Å; L860-F978 PolarHBondContact N-O 2.91Å; L860-F978 WeakPolarHBondContact O-CD1 3.29Å; L860-F978 WeakPolarHBondContact O-CE1 3.48Å; L860-F978 PolarHBondContact O-N 3.26Å; L860-P980 HydrophobicContact CD1-CG 4.12Å; L860-W985 HydrophobicContact CD1-CB 3.97Å; L860-W985 HydrophobicContact CD1-CD2 3.39Å; L860-W985 HydrophobicContact CD1-CE3 3.7Å; L860-W985 HydrophobicContact CD1-CG 3.49Å; L860-W985 VanDerWaalsContact CD1-CG 3.49Å; L860-W985 HydrophobicContact CD1-CZ3 4.44Å
861	L	96.1	Very high	90.5	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.2	173.3	-174.5	64.2	0	0	0	110	Y828 I830 T914 I915 L916 L973 Q976 M977	Y828-L861 HydrophobicContact CE2-CD2 4.27Å; I830-L861 HydrophobicContact CD1-CD2 3.9Å; L861-T914 CarbonylContact O-C 3.01Å; L861-T914 VanDerWaalsContact O-CA 3.32Å; L861-T914 WeakPolarHBondContact O-CA 3.32Å; L861-T914 WeakPolarHBondContact O-CG2 3.18Å; L861-I915 HydrophobicContact CD2-CD1 4.19Å; L861-I915 HydrophobicContact CD2-CG1 4.25Å; L861-I915 HydrophobicContact CG-CG1 4.34Å; L861-I915 PolarHBondContact O-N 2.79Å; L861-L916 HydrophobicContact CB-CB 3.79Å; L861-L916 HydrophobicContact CD2-CB 4.26Å; L861-L916 HydrophobicContact CD2-CD2 4.39Å; L861-L916 PolarHBondContact N-O 2.91Å; L861-L973 HydrophobicContact CD2-CD1 4.31Å; L861-Q976 HydrophobicContact CD1-CB 3.79Å; L861-Q976 WeakPolarHBondContact CD1-O 3.3Å; L861-M977 HydrophobicContact CB-CE 4.25Å; L861-M977 HydrophobicContact CB-CG 3.99Å; L861-M977 HydrophobicContact CD1-CG 3.98Å
862	K	95.3	Very high	90.2	Very high	85 Å²	85	38.4 Å²	38.4	37%	0.37	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.8	168.4	-79.7	173.5	176.8	-156.9	0	110.6	P913 T914 F978	K862-P913 VanDerWaalsContact CA-O 3.27Å; K862-P913 WeakPolarHBondContact CA-O 3.21Å; K862-T914 WeakPolarHBondContact CE-OG1 3.18Å; K862-T914 WeakPolarHBondContact CG-OG1 3.48Å; K862-F978 HydrophobicContact CD-CE1 3.77Å; K862-F978 HydrophobicContact CD-CZ 4.15Å; K862-F978 HydrophobicContact CG-CE1 3.79Å; K862-F978 HydrophobicContact CG-CZ 4.43Å
863	A	93.9	Very high	89.9	Confident	7 Å²	7	38.4 Å²	38.4	6%	0.058	19%	0.194	C	C	.	.			trans	-128.9	144	173.4	0	0	0	0	0	109.9	Y828 L865 T912 P913 I915	Y828-A863 HydrophobicContact CD1-CB 4.37Å; Y828-A863 HydrophobicContact CD2-CB 4.42Å; Y828-A863 HydrophobicContact CG-CB 3.95Å; A863-L865 HydrophobicContact CB-CD1 4.12Å; A863-L865 HydrophobicContact CB-CD2 4.42Å; A863-L865 HydrophobicContact CB-CG 3.94Å; A863-L865 PolarHBondContact O-N 2.78Å; A863-T912 CarbonylContact O-C 3.47Å; A863-T912 VanDerWaalsContact O-CA 3.24Å; A863-T912 WeakPolarHBondContact O-CA 3.35Å; A863-P913 PolarHBondContact N-O 3.07Å; A863-P913 VanDerWaalsContact N-O 3.09Å; A863-P913 WeakPolarHBondContact O-CD 3.14Å; A863-I915 HydrophobicContact CB-CD1 3.51Å; A863-I915 HydrophobicContact CB-CG1 4.05Å; A863-I915 HydrophobicContact CB-CG2 4.29Å
864	N	93.5	Very high	89.5	Confident	46 Å²	46	36.3 Å²	36.3	25%	0.246	18%	0.179	C	C	.	.			trans	-81.1	110.1	171.5	-172.1	6.1	0	0	0	108.3	P905 T912	N864-P905 WeakPolarHBondContact OD1-CB 3.2Å; N864-T912 HydrophobicContact CB-CG2 4.18Å
865	L	94.4	Very high	88.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.			trans	-135	162.1	-172.6	-64.9	176.5	0	0	0	109.8	F824 Y837 A863 P911 P913 I915	F824-L865 HydrophobicContact CB-CB 4.03Å; F824-L865 HydrophobicContact CB-CD1 3.9Å; F824-L865 HydrophobicContact CD1-CB 4.37Å; Y837-L865 HydrophobicContact CD1-CD1 3.6Å; Y837-L865 HydrophobicContact CD2-CD1 4.36Å; Y837-L865 HydrophobicContact CE1-CD1 4Å; Y837-L865 HydrophobicContact CG-CD1 3.78Å; A863-L865 HydrophobicContact CB-CD1 4.12Å; A863-L865 HydrophobicContact CB-CD2 4.42Å; A863-L865 HydrophobicContact CB-CG 3.94Å; A863-L865 PolarHBondContact O-N 2.78Å; L865-P911 PolarHBondContact N-O 2.88Å; L865-P913 HydrophobicContact CB-CG 4.26Å; L865-P913 HydrophobicContact CD1-CG 4.14Å; L865-I915 HydrophobicContact CD1-CG2 3.75Å
866	V	93.6	Very high	88	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.5	175.3	-169.7	0	0	0	0	109.5	F824 S825 I868 R902 P905	F824-V866 CarbonylContact C-O 3.2Å; F824-V866 VanDerWaalsContact CA-O 3.3Å; F824-V866 WeakPolarHBondContact CA-O 3.3Å; S825-V866 PolarHBondContact N-O 3.49Å; S825-V866 PolarHBondContact O-N 3.48Å; V866-I868 PolarHBondContact O-N 3.01Å; V866-R902 VanDerWaalsContact CG1-O 3.31Å; V866-R902 WeakPolarHBondContact CG1-O 3.47Å; V866-P905 HydrophobicContact CG2-CB 4.11Å
867	D	93.1	Very high	86.9	Confident	25 Å²	25	40.1 Å²	40.1	13%	0.134	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	108.7	165	178.8	7.5	0	0	0	109.3	V823 F824 S869 N870 Q871 P911	V823-D867 CarbonylContact O-C 3.55Å; V823-D867 WeakPolarHBondContact O-CA 3.13Å; V823-D867 VanDerWaalsContact O-OD1 3.13Å; F824-D867 HydrophobicContact CD1-CB 4.06Å; F824-D867 HydrophobicContact CE1-CB 3.85Å; D867-S869 VanDerWaalsContact OD1-CB 3.32Å; D867-S869 WeakPolarHBondContact OD1-CB 3.35Å; D867-S869 PolarHBondContact OD1-N 3.34Å; D867-S869 PolarHBondContact OD1-OG 3.32Å; D867-S869 PolarHBondContact OD2-OG 2.89Å; D867-N870 PolarHBondContact OD2-ND2 3.09Å; D867-Q871 PolarHBondContact O-NE2 3.1Å; D867-P911 HydrophobicContact CB-CG 4.19Å
868	I	91.3	Very high	85.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.			trans	-90.5	-16.2	178.5	55.2	165.2	0	0	0	111.9	L692 V823 S839 V866 N870 Q871 F872 L903	L692-I868 HydrophobicContact CB-CD1 4.33Å; V823-I868 HydrophobicContact CB-CG1 4.2Å; V823-I868 HydrophobicContact CG1-CD1 3.88Å; V823-I868 HydrophobicContact CG1-CG1 3.81Å; V823-I868 VanDerWaalsContact O-CG1 3.31Å; V823-I868 WeakPolarHBondContact O-CG1 3.28Å; V823-I868 PolarHBondContact O-N 2.86Å; S839-I868 WeakPolarHBondContact OG-CD1 3.48Å; V866-I868 PolarHBondContact O-N 3.01Å; I868-N870 VanDerWaalsContact C-N 3.32Å; I868-N870 PolarHBondContact O-N 2.88Å; I868-Q871 WeakPolarHBondContact O-CB 3.33Å; I868-Q871 PolarHBondContact O-N 3.43Å; I868-F872 HydrophobicContact CB-CD2 4.43Å; I868-F872 HydrophobicContact CB-CE2 4.5Å; I868-F872 HydrophobicContact CD1-CE2 4.16Å; I868-F872 WeakPolarHBondContact O-CD2 3.4Å; I868-F872 PolarHBondContact O-N 2.8Å; I868-L903 HydrophobicContact CG2-CD2 4.19Å
869	S	88.6	Confident	83.5	Confident	5 Å²	5	44.9 Å²	44.9	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-47	178.7	70.1	0	0	0	0	111.4	V823 D867 Q871 F872 I873	V823-S869 PolarHBondContact O-N 2.81Å; D867-S869 VanDerWaalsContact OD1-CB 3.32Å; D867-S869 WeakPolarHBondContact OD1-CB 3.35Å; D867-S869 PolarHBondContact OD1-N 3.34Å; D867-S869 PolarHBondContact OD1-OG 3.32Å; D867-S869 PolarHBondContact OD2-OG 2.89Å; S869-Q871 VanDerWaalsContact C-N 3.28Å; S869-Q871 PolarHBondContact O-N 2.78Å; S869-F872 PolarHBondContact O-N 2.89Å; S869-I873 WeakPolarHBondContact O-CD1 3.41Å; S869-I873 VanDerWaalsContact O-CG1 3.24Å; S869-I873 WeakPolarHBondContact O-CG1 3.42Å; S869-I873 PolarHBondContact O-N 2.54Å
870	N	82.1	Confident	81.7	Confident	84 Å²	84	49.6 Å²	49.6	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-32.7	175.7	-83.6	-49.8	0	0	0	113	D867 I868 Q874	D867-N870 PolarHBondContact OD2-ND2 3.09Å; I868-N870 VanDerWaalsContact C-N 3.32Å; I868-N870 PolarHBondContact O-N 2.88Å; N870-Q874 VanDerWaalsContact O-CB 3.29Å; N870-Q874 WeakPolarHBondContact O-CB 3.45Å; N870-Q874 WeakPolarHBondContact O-CG 3.49Å; N870-Q874 PolarHBondContact O-N 3.31Å
871	Q	86.2	Confident	79.5	Confident	38 Å²	38	55.2 Å²	55.2	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-71.2	-43.1	178.8	-63.9	-179.5	61.1	0	0	111.4	D867 I868 S869 Q874 H875 L901 R902	D867-Q871 PolarHBondContact O-NE2 3.1Å; I868-Q871 WeakPolarHBondContact O-CB 3.33Å; I868-Q871 PolarHBondContact O-N 3.43Å; S869-Q871 VanDerWaalsContact C-N 3.28Å; S869-Q871 PolarHBondContact O-N 2.78Å; Q871-Q874 PolarHBondContact O-N 3.25Å; Q871-H875 WeakPolarHBondContact O-CB 3.45Å; Q871-H875 PolarHBondContact O-N 2.94Å; Q871-L901 HydrophobicContact CB-CD2 3.89Å; Q871-R902 PolarHBondContact NE2-O 2.73Å
872	F	80.1	Confident	77.1	Confident	14 Å²	14	58.6 Å²	58.6	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-48.7	173.8	-86.3	-77.3	0	0	0	111.9	L692 L785 I868 S869 Q874 H875 D876 P899 L901	L692-F872 HydrophobicContact CB-CE2 3.89Å; L692-F872 HydrophobicContact CB-CZ 3.93Å; L692-F872 HydrophobicContact CD1-CE2 4.26Å; L692-F872 WeakPolarHBondContact O-CZ 3.49Å; L785-F872 HydrophobicContact CD2-CD1 4.45Å; L785-F872 HydrophobicContact CD2-CE1 4.13Å; I868-F872 HydrophobicContact CB-CD2 4.43Å; I868-F872 HydrophobicContact CB-CE2 4.5Å; I868-F872 HydrophobicContact CD1-CE2 4.16Å; I868-F872 WeakPolarHBondContact O-CD2 3.4Å; I868-F872 PolarHBondContact O-N 2.8Å; S869-F872 PolarHBondContact O-N 2.89Å; F872-Q874 VanDerWaalsContact C-N 3.35Å; F872-Q874 PolarHBondContact O-N 3.18Å; F872-H875 PolarHBondContact O-N 3.1Å; F872-D876 PolarHBondContact O-N 3.49Å; F872-P899 HydrophobicContact CD1-CG 4.25Å; F872-P899 HydrophobicContact CE1-CG 3.73Å; F872-P899 HydrophobicContact CZ-CG 4.28Å; F872-L901 HydrophobicContact CD2-CD2 4.1Å; F872-L901 HydrophobicContact CE2-CD1 3.64Å; F872-L901 HydrophobicContact CE2-CD2 3.88Å; F872-L901 HydrophobicContact CE2-CG 4.4Å; F872-L901 HydrophobicContact CZ-CD1 3.64Å; F872-L901 HydrophobicContact CZ-CD2 4.24Å; F872-L901 HydrophobicContact CZ-CG 4.46Å
873	I	78.9	Confident	74.4	Confident	58 Å²	58	61 Å²	61	30%	0.297	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-41.3	-179.5	-63.8	163.2	0	0	0	111.2	S869 F877	S869-I873 WeakPolarHBondContact O-CD1 3.41Å; S869-I873 VanDerWaalsContact O-CG1 3.24Å; S869-I873 WeakPolarHBondContact O-CG1 3.42Å; S869-I873 PolarHBondContact O-N 2.54Å; I873-F877 WeakPolarHBondContact O-CB 3.36Å; I873-F877 PolarHBondContact O-N 3.06Å
874	Q	76.4	Confident	71.7	Confident	120 Å²	120	65.1 Å²	65.1	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-66.7	-40.1	176.8	-76.6	175.2	14.6	0	0	112.6	N870 Q871 F872 F877 M878	N870-Q874 VanDerWaalsContact O-CB 3.29Å; N870-Q874 WeakPolarHBondContact O-CB 3.45Å; N870-Q874 WeakPolarHBondContact O-CG 3.49Å; N870-Q874 PolarHBondContact O-N 3.31Å; Q871-Q874 PolarHBondContact O-N 3.25Å; F872-Q874 VanDerWaalsContact C-N 3.35Å; F872-Q874 PolarHBondContact O-N 3.18Å; Q874-F877 PolarHBondContact O-N 2.82Å; Q874-M878 WeakPolarHBondContact O-CG 3.43Å; Q874-M878 PolarHBondContact O-N 2.69Å
875	H	73.6	Confident	69	Low	53 Å²	53	67.8 Å²	67.8	25%	0.245	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-50.2	177.2	-178.8	-89	0	0	0	111	Q871 F872 F877 M878 F879 S897 P899	Q871-H875 WeakPolarHBondContact O-CB 3.45Å; Q871-H875 PolarHBondContact O-N 2.94Å; F872-H875 PolarHBondContact O-N 3.1Å; H875-F877 VanDerWaalsContact C-N 3.34Å; H875-F877 PolarHBondContact O-N 3.32Å; H875-M878 PolarHBondContact O-N 2.89Å; H875-F879 AromaticContact CE1-CD2 3.4Å; H875-F879 VanDerWaalsContact CE1-CD2 3.4Å; H875-F879 WeakPolarHBondContact CE1-CD2 3.28Å; H875-F879 AromaticContact CE1-CE2 3.44Å; H875-F879 VanDerWaalsContact CE1-CE2 3.44Å; H875-F879 WeakPolarHBondContact CE1-CE2 3.28Å; H875-F879 AromaticContact ND1-CD2 3.8Å; H875-F879 AromaticContact NE2-CD2 3.67Å; H875-F879 AromaticContact NE2-CE2 3.32Å; H875-F879 VanDerWaalsContact NE2-CE2 3.32Å; H875-F879 WeakPolarHBondContact NE2-CE2 3.48Å; H875-F879 WeakPolarHBondContact O-CD2 3.34Å; H875-F879 PolarHBondContact O-N 3.43Å; H875-S897 PolarHBondContact CE1-O 2.87Å; H875-S897 PolarHBondContact CE1-OG 3.2Å; H875-P899 HydrophobicContact CB-CB 4.34Å
876	D	67.8	Low	66	Low	54 Å²	54	73.9 Å²	73.9	29%	0.289	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-44	177.2	-169.3	34.6	0	0	0	111.6	F872 M878 F879 L880	F872-D876 PolarHBondContact O-N 3.49Å; D876-M878 PolarHBondContact O-N 3.38Å; D876-F879 PolarHBondContact O-N 3.48Å; D876-L880 WeakPolarHBondContact O-CG 3.33Å; D876-L880 PolarHBondContact O-N 3.31Å
877	F	65.2	Low	63	Low	117 Å²	117	79 Å²	79	51%	0.513	42%	0.421	S	S	.	.	H	α-helix	trans	-65.2	-36.9	176.9	-172.8	-106.5	0	0	0	114	I873 Q874 H875 K881	I873-F877 WeakPolarHBondContact O-CB 3.36Å; I873-F877 PolarHBondContact O-N 3.06Å; Q874-F877 PolarHBondContact O-N 2.82Å; H875-F877 VanDerWaalsContact C-N 3.34Å; H875-F877 PolarHBondContact O-N 3.32Å; F877-K881 HydrophobicContact CD1-CD 4.18Å; F877-K881 HydrophobicContact CE1-CD 3.77Å; F877-K881 HydrophobicContact CE1-CG 4.48Å; F877-K881 VanDerWaalsContact CE1-NZ 3.25Å; F877-K881 HydrophobicContact CZ-CD 4.22Å; F877-K881 PolarHBondContact O-N 3.36Å; F877-K881 VanDerWaalsContact O-N 3.09Å
878	M	55.1	Low	59.9	Low	137 Å²	137	86 Å²	86	68%	0.675	46%	0.458	S	S	*	.	H	α-helix	trans	-67.4	-39.8	174	-77.8	-151.5	-173.5	0	0	111.7	Q874 H875 D876 K881 S882	Q874-M878 WeakPolarHBondContact O-CG 3.43Å; Q874-M878 PolarHBondContact O-N 2.69Å; H875-M878 PolarHBondContact O-N 2.89Å; D876-M878 PolarHBondContact O-N 3.38Å; M878-K881 PolarHBondContact O-N 2.96Å; M878-S882 PolarHBondContact O-N 3.5Å
879	F	56.3	Low	56.9	Low	91 Å²	91	94.5 Å²	94.5	40%	0.399	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-48.8	175.5	-98.3	-85.5	0	0	0	111.7	H875 D876 K881 S882 S897	H875-F879 AromaticContact CE1-CD2 3.4Å; H875-F879 VanDerWaalsContact CE1-CD2 3.4Å; H875-F879 WeakPolarHBondContact CE1-CD2 3.28Å; H875-F879 AromaticContact CE1-CE2 3.44Å; H875-F879 VanDerWaalsContact CE1-CE2 3.44Å; H875-F879 WeakPolarHBondContact CE1-CE2 3.28Å; H875-F879 AromaticContact ND1-CD2 3.8Å; H875-F879 AromaticContact NE2-CD2 3.67Å; H875-F879 AromaticContact NE2-CE2 3.32Å; H875-F879 VanDerWaalsContact NE2-CE2 3.32Å; H875-F879 WeakPolarHBondContact NE2-CE2 3.48Å; H875-F879 WeakPolarHBondContact O-CD2 3.34Å; H875-F879 PolarHBondContact O-N 3.43Å; D876-F879 PolarHBondContact O-N 3.48Å; F879-K881 PolarHBondContact O-N 2.91Å; F879-S882 PolarHBondContact O-N 3.24Å; F879-S882 VanDerWaalsContact O-N 3.09Å; F879-S882 PolarHBondContact O-OG 3.49Å; F879-S897 WeakPolarHBondContact CE1-OG 3.4Å; F879-S897 WeakPolarHBondContact CE2-OG 3.44Å; F879-S897 VanDerWaalsContact CZ-CB 3.46Å; F879-S897 WeakPolarHBondContact CZ-OG 3.26Å
880	L	57.4	Low	54.4	Low	104 Å²	104	99.4 Å²	99.4	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-59.3	-31.9	175.1	-70.3	167.5	0	0	0	113	D876	D876-L880 WeakPolarHBondContact O-CG 3.33Å; D876-L880 PolarHBondContact O-N 3.31Å
881	K	50.1	Low	52	Low	118 Å²	118	102.7 Å²	102.7	51%	0.513	55%	0.55	S	S	.	.	H	α-helix	trans	-75.1	-35.2	174.5	-85.6	-175.7	169.9	179.9	0	113.5	F877 M878 F879 E883 S884	F877-K881 HydrophobicContact CD1-CD 4.18Å; F877-K881 HydrophobicContact CE1-CD 3.77Å; F877-K881 HydrophobicContact CE1-CG 4.48Å; F877-K881 VanDerWaalsContact CE1-NZ 3.25Å; F877-K881 HydrophobicContact CZ-CD 4.22Å; F877-K881 PolarHBondContact O-N 3.36Å; F877-K881 VanDerWaalsContact O-N 3.09Å; M878-K881 PolarHBondContact O-N 2.96Å; F879-K881 PolarHBondContact O-N 2.91Å; K881-E883 PolarHBondContact O-N 3.25Å; K881-S884 WeakPolarHBondContact O-CB 3.48Å; K881-S884 PolarHBondContact O-N 3.25Å; K881-S884 PolarHBondContact O-OG 3.34Å
882	S	45.1	Very low	49.3	Very low	74 Å²	74	109.7 Å²	109.7	52%	0.517	58%	0.58	S	S	.	*	H	α-helix	trans	-63.4	-30.5	-178	72.1	0	0	0	0	112.8	M878 F879 S884	M878-S882 PolarHBondContact O-N 3.5Å; F879-S882 PolarHBondContact O-N 3.24Å; F879-S882 VanDerWaalsContact O-N 3.09Å; F879-S882 PolarHBondContact O-OG 3.49Å; S882-S884 VanDerWaalsContact C-N 3.29Å; S882-S884 PolarHBondContact O-N 3.43Å
883	E	39.8	Very low	47.2	Very low	136 Å²	136	115 Å²	115	64%	0.636	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-20.3	173.4	-70.5	-172.3	161.8	0	0	113.5	K881 V885	K881-E883 PolarHBondContact O-N 3.25Å; E883-V885 PolarHBondContact O-N 2.91Å
884	S	37.7	Very low	45.3	Very low	93 Å²	93	117 Å²	117	65%	0.65	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-2.7	-177.8	72	0	0	0	0	114.3	K881 S882	K881-S884 WeakPolarHBondContact O-CB 3.48Å; K881-S884 PolarHBondContact O-N 3.25Å; K881-S884 PolarHBondContact O-OG 3.34Å; S882-S884 VanDerWaalsContact C-N 3.29Å; S882-S884 PolarHBondContact O-N 3.43Å
885	V	36	Very low	43.3	Very low	102 Å²	102	114.6 Å²	114.6	62%	0.618	63%	0.625	S	S	*	*	S	Bend	trans	-121.5	113.2	-177.6	-174.4	0	0	0	0	110.3	E883	E883-V885 PolarHBondContact O-N 2.91Å
886	T	31.5	Very low	41.9	Very low	129 Å²	129	118.7 Å²	118.7	79%	0.791	65%	0.649	S	S	*	*	S	Bend	trans	89.6	98.4	176	59.8	0	0	0	0	118.9
887	S	29.8	Very low	41.1	Very low	106 Å²	106	118.5 Å²	118.5	74%	0.741	65%	0.652	S	S	*	*			trans	26.2	124.7	143.2	57.7	0	0	0	0	121.8
888	L	29.9	Very low	40.8	Very low	173 Å²	173	117.8 Å²	117.8	91%	0.906	65%	0.65	S	S	*	*			trans	36.2	101.8	154	-86.7	95.7	0	0	0	118.3
889	E	28.2	Very low	41.3	Very low	179 Å²	179	112.4 Å²	112.4	84%	0.836	63%	0.625	S	S	*	*			trans	178.8	112.1	130.7	-101.4	174.1	-169.9	0	0	108.8	D891	E889-D891 VanDerWaalsContact C-N 3.27Å; E889-D891 PolarHBondContact O-N 3.09Å; E889-D891 VanDerWaalsContact O-N 3.14Å
890	S	34.6	Very low	42	Very low	108 Å²	108	116 Å²	116	76%	0.755	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	23.9	-169	46.9	0	0	0	0	116
891	D	33.3	Very low	43.1	Very low	153 Å²	153	112.6 Å²	112.6	82%	0.818	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	14.6	-176.1	-78.7	-16.7	0	0	0	114.8	E889	E889-D891 VanDerWaalsContact C-N 3.27Å; E889-D891 PolarHBondContact O-N 3.09Å; E889-D891 VanDerWaalsContact O-N 3.14Å
892	K	27.9	Very low	44.8	Very low	185 Å²	185	110.8 Å²	110.8	80%	0.804	62%	0.621	S	S	*	*			trans	-109.6	62	170.8	-72.9	-177.2	-179.2	171.2	0	111.7
893	I	36.1	Very low	46.7	Very low	125 Å²	125	110.6 Å²	110.6	64%	0.641	61%	0.613	S	S	*	*			trans	-83.1	121.8	176.2	-65.3	173.8	0	0	0	109.8
894	L	39.1	Very low	49	Very low	100 Å²	100	112.4 Å²	112.4	52%	0.524	62%	0.619	S	S	.	*			trans	52.4	68.9	152.7	-140.9	80.2	0	0	0	117.7
895	G	34.9	Very low	51.4	Low	69 Å²	69	110 Å²	110	71%	0.711	60%	0.602	S	S	*	*			trans	-79.7	113.9	157.3	0	0	0	0	0	110	S897	G895-S897 PolarHBondContact O-N 3.01Å
896	N	44.6	Very low	53.8	Low	140 Å²	140	108.8 Å²	108.8	75%	0.749	59%	0.591	S	S	*	*			trans	-52.3	95.4	175.6	-72.5	-15.9	0	0	0	111.8
897	S	50	Low	56.3	Low	49 Å²	49	108.7 Å²	108.7	34%	0.343	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-80	121.6	161.1	58.8	0	0	0	0	108.5	H875 F879 G895	H875-S897 PolarHBondContact CE1-O 2.87Å; H875-S897 PolarHBondContact CE1-OG 3.2Å; F879-S897 WeakPolarHBondContact CE1-OG 3.4Å; F879-S897 WeakPolarHBondContact CE2-OG 3.44Å; F879-S897 VanDerWaalsContact CZ-CB 3.46Å; F879-S897 WeakPolarHBondContact CZ-OG 3.26Å; G895-S897 PolarHBondContact O-N 3.01Å
898	E	58.7	Low	58.8	Low	103 Å²	103	111.6 Å²	111.6	48%	0.481	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-64.2	130.5	174.8	-63.8	-175.9	149.7	0	0	110.1	T695 N900	T695-E898 HydrophobicContact CG2-CB 4.47Å; T695-E898 HydrophobicContact CG2-CG 4.42Å; T695-E898 WeakPolarHBondContact OG1-CG 3.22Å; T695-E898 PolarHBondContact OG1-OE1 2.88Å; E898-N900 PolarHBondContact O-N 3.25Å
899	P	65.4	Low	61.5	Low	23 Å²	23	110.9 Å²	110.9	15%	0.149	58%	0.581	C	S	.	*	P	Polyproline II helix	trans	-62.9	124.3	172.8	24.2	-32.6	0	0	0	109.8	T695 F872 H875 L901	T695-P899 HydrophobicContact CG2-CG 4.32Å; F872-P899 HydrophobicContact CD1-CG 4.25Å; F872-P899 HydrophobicContact CE1-CG 3.73Å; F872-P899 HydrophobicContact CZ-CG 4.28Å; H875-P899 HydrophobicContact CB-CB 4.34Å; P899-L901 HydrophobicContact CB-CD2 4.05Å; P899-L901 HydrophobicContact CB-CG 4.19Å; P899-L901 HydrophobicContact CG-CD2 4.37Å; P899-L901 HydrophobicContact CG-CG 4.26Å; P899-L901 PolarHBondContact O-N 3.19Å
900	N	72.4	Confident	64.4	Low	166 Å²	166	103.4 Å²	103.4	89%	0.888	55%	0.547	S	S	*	.			trans	-71.4	80.7	170	-79.3	-46.3	0	0	0	109.9	E898	E898-N900 PolarHBondContact O-N 3.25Å
901	L	80.2	Confident	67	Low	33 Å²	33	100.8 Å²	100.8	17%	0.173	53%	0.527	C	S	.	.			trans	-73	130.2	-177.7	-62.6	173.2	0	0	0	111.5	T693 Q871 F872 P899 L903	T693-L901 HydrophobicContact CG2-CD1 4.39Å; Q871-L901 HydrophobicContact CB-CD2 3.89Å; F872-L901 HydrophobicContact CD2-CD2 4.1Å; F872-L901 HydrophobicContact CE2-CD1 3.64Å; F872-L901 HydrophobicContact CE2-CD2 3.88Å; F872-L901 HydrophobicContact CE2-CG 4.4Å; F872-L901 HydrophobicContact CZ-CD1 3.64Å; F872-L901 HydrophobicContact CZ-CD2 4.24Å; F872-L901 HydrophobicContact CZ-CG 4.46Å; P899-L901 HydrophobicContact CB-CD2 4.05Å; P899-L901 HydrophobicContact CB-CG 4.19Å; P899-L901 HydrophobicContact CG-CD2 4.37Å; P899-L901 HydrophobicContact CG-CG 4.26Å; P899-L901 PolarHBondContact O-N 3.19Å; L901-L903 HydrophobicContact CB-CD2 4Å; L901-L903 PolarHBondContact O-N 2.82Å
902	R	85.5	Confident	69.9	Low	81 Å²	81	97.1 Å²	97.1	31%	0.306	51%	0.51	S	S	.	.			trans	-83	112.7	168.5	-179.2	179.6	60.7	83.7	-2.6	108.9	V866 Q871 K904 D910	V866-R902 VanDerWaalsContact CG1-O 3.31Å; V866-R902 WeakPolarHBondContact CG1-O 3.47Å; Q871-R902 PolarHBondContact NE2-O 2.73Å; R902-K904 PolarHBondContact NH1-O 3.21Å; R902-D910 IonicContact CZ-OD1 2.89Å; R902-D910 IonicContact CZ-OD2 3.54Å; R902-D910 IonicContact NH1-OD1 3.73Å; R902-D910 PolarHBondContact NH1-OD1 3.04Å; R902-D910 IonicContact NH1-OD2 3.94Å; R902-D910 PolarHBondContact NH1-OD2 3.03Å; R902-D910 IonicContact NH2-OD1 3.21Å; R902-D910 PolarHBondContact NH2-OD1 3.25Å; R902-D910 IonicContact NH2-OD2 3.3Å; R902-D910 PolarHBondContact NH2-OD2 2.83Å
903	L	85.6	Confident	73	Confident	69 Å²	69	88.5 Å²	88.5	36%	0.361	47%	0.473	S	S	.	.			trans	-102.4	-7.8	179.8	-53.5	-179.6	0	0	0	113.7	T693 I868 L901	T693-L903 HydrophobicContact CG2-CD1 4.08Å; T693-L903 HydrophobicContact CG2-CD2 3.62Å; I868-L903 HydrophobicContact CG2-CD2 4.19Å; L901-L903 HydrophobicContact CB-CD2 4Å; L901-L903 PolarHBondContact O-N 2.82Å
904	K	87.3	Confident	75.9	Confident	175 Å²	175	82.5 Å²	82.5	76%	0.761	44%	0.443	S	S	*	.	S	Bend	trans	-91.5	121.8	175.9	-72.6	-174.5	-179.5	178	0	110.3	R902	R902-K904 PolarHBondContact NH1-O 3.21Å
905	P	87.4	Confident	78.7	Confident	43 Å²	43	77.8 Å²	77.8	28%	0.279	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-71	141	175.9	29	-33.7	0	0	0	111.2	N864 V866 D910	N864-P905 WeakPolarHBondContact OD1-CB 3.2Å; V866-P905 HydrophobicContact CG2-CB 4.11Å; P905-D910 WeakPolarHBondContact CA-OD2 3.44Å; P905-D910 HydrophobicContact CB-CB 4.42Å
906	I	88	Confident	81.6	Confident	76 Å²	76	74.5 Å²	74.5	39%	0.39	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-100.1	117.7	172	-61.1	169.3	0	0	0	106.5	D908 K909 D910	I906-D908 PolarHBondContact O-N 3.47Å; I906-K909 HydrophobicContact CB-CB 4.07Å; I906-K909 HydrophobicContact CD1-CD 4.16Å; I906-K909 HydrophobicContact CG2-CB 3.82Å; I906-K909 HydrophobicContact CG2-CD 4.44Å; I906-K909 PolarHBondContact O-N 3.46Å; I906-D910 PolarHBondContact N-OD2 2.51Å; I906-D910 PolarHBondContact O-N 2.78Å; I906-D910 VanDerWaalsContact O-N 3.08Å
907	I	82.7	Confident	84.1	Confident	126 Å²	126	67.9 Å²	67.9	65%	0.646	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	137.2	176.8	-56.7	171.5	0	0	0	108.9	K909	I907-K909 PolarHBondContact O-N 3Å; I907-K909 VanDerWaalsContact O-N 3.11Å
908	D	83.4	Confident	86.3	Confident	168 Å²	168	65.6 Å²	65.6	90%	0.898	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	-11.1	-177.6	-49.6	-42.2	0	0	0	117.2	I906	I906-D908 PolarHBondContact O-N 3.47Å
909	K	85.9	Confident	88	Confident	158 Å²	158	60.8 Å²	60.8	69%	0.687	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-40.5	178.3	-174.3	179.5	177.6	-177.7	0	112.9	I906 I907	I906-K909 HydrophobicContact CB-CB 4.07Å; I906-K909 HydrophobicContact CD1-CD 4.16Å; I906-K909 HydrophobicContact CG2-CB 3.82Å; I906-K909 HydrophobicContact CG2-CD 4.44Å; I906-K909 PolarHBondContact O-N 3.46Å; I907-K909 PolarHBondContact O-N 3Å; I907-K909 VanDerWaalsContact O-N 3.11Å
910	D	89.2	Confident	89.3	Confident	21 Å²	21	60.5 Å²	60.5	11%	0.112	31%	0.308	C	S	.	.	S	Bend	trans	-88.1	152.9	-180	-72.4	-53.4	0	0	0	112.1	R902 P905 I906	R902-D910 IonicContact CZ-OD1 2.89Å; R902-D910 IonicContact CZ-OD2 3.54Å; R902-D910 IonicContact NH1-OD1 3.73Å; R902-D910 PolarHBondContact NH1-OD1 3.04Å; R902-D910 IonicContact NH1-OD2 3.94Å; R902-D910 PolarHBondContact NH1-OD2 3.03Å; R902-D910 IonicContact NH2-OD1 3.21Å; R902-D910 PolarHBondContact NH2-OD1 3.25Å; R902-D910 IonicContact NH2-OD2 3.3Å; R902-D910 PolarHBondContact NH2-OD2 2.83Å; P905-D910 WeakPolarHBondContact CA-OD2 3.44Å; P905-D910 HydrophobicContact CB-CB 4.42Å; I906-D910 PolarHBondContact N-OD2 2.51Å; I906-D910 PolarHBondContact O-N 2.78Å; I906-D910 VanDerWaalsContact O-N 3.08Å
911	P	89.5	Confident	90.2	Very high	54 Å²	54	52.9 Å²	52.9	35%	0.351	27%	0.268	S	S	.	.			trans	-68.8	154	179.7	28.9	-35.1	0	0	0	112	F824 L865 D867 P913	F824-P911 HydrophobicContact CD1-CG 4.29Å; F824-P911 HydrophobicContact CE1-CB 4.31Å; F824-P911 HydrophobicContact CE1-CG 3.62Å; L865-P911 PolarHBondContact N-O 2.88Å; D867-P911 HydrophobicContact CB-CG 4.19Å; P911-P913 WeakPolarHBondContact O-CD 3.3Å
912	T	93	Very high	90.3	Very high	75 Å²	75	55.2 Å²	55.2	46%	0.46	28%	0.279	S	S	.	.			trans	-111	72.7	170.5	60.9	0	0	0	0	110.2	A863 N864	A863-T912 CarbonylContact O-C 3.47Å; A863-T912 VanDerWaalsContact O-CA 3.24Å; A863-T912 WeakPolarHBondContact O-CA 3.35Å; N864-T912 HydrophobicContact CB-CG2 4.18Å
913	P	94.8	Very high	89.5	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.026	28%	0.282	C	S	.	.			trans	-63.3	154.1	-177.4	28.5	-39.2	0	0	0	112.4	F824 K862 A863 L865 P911 I915	F824-P913 HydrophobicContact CD1-CB 4.37Å; F824-P913 HydrophobicContact CD1-CG 3.7Å; F824-P913 HydrophobicContact CD2-CB 4.15Å; F824-P913 HydrophobicContact CD2-CG 4.06Å; F824-P913 HydrophobicContact CE1-CB 4.06Å; F824-P913 HydrophobicContact CE1-CG 3.8Å; F824-P913 HydrophobicContact CE2-CB 3.85Å; F824-P913 HydrophobicContact CE2-CG 4.17Å; F824-P913 HydrophobicContact CG-CB 4.39Å; F824-P913 HydrophobicContact CG-CG 3.82Å; F824-P913 HydrophobicContact CZ-CB 3.79Å; F824-P913 HydrophobicContact CZ-CG 4.04Å; K862-P913 VanDerWaalsContact CA-O 3.27Å; K862-P913 WeakPolarHBondContact CA-O 3.21Å; A863-P913 PolarHBondContact N-O 3.07Å; A863-P913 VanDerWaalsContact N-O 3.09Å; A863-P913 WeakPolarHBondContact O-CD 3.14Å; L865-P913 HydrophobicContact CB-CG 4.26Å; L865-P913 HydrophobicContact CD1-CG 4.14Å; P911-P913 WeakPolarHBondContact O-CD 3.3Å; P913-I915 HydrophobicContact CG-CG2 4.32Å
914	T	96.9	Very high	88.4	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	115.4	170.8	-58.5	0	0	0	0	109.3	S842 L843 L860 L861 K862 W985	S842-T914 WeakPolarHBondContact CB-O 3.48Å; L843-T914 HydrophobicContact CB-CG2 4.18Å; L843-T914 HydrophobicContact CD1-CG2 4.07Å; L843-T914 PolarHBondContact N-O 3.09Å; L860-T914 HydrophobicContact CB-CG2 3.84Å; L860-T914 HydrophobicContact CD1-CG2 4.28Å; L860-T914 HydrophobicContact CD2-CG2 4.12Å; L860-T914 HydrophobicContact CG-CG2 4.29Å; L861-T914 CarbonylContact O-C 3.01Å; L861-T914 VanDerWaalsContact O-CA 3.32Å; L861-T914 WeakPolarHBondContact O-CA 3.32Å; L861-T914 WeakPolarHBondContact O-CG2 3.18Å; K862-T914 WeakPolarHBondContact CE-OG1 3.18Å; K862-T914 WeakPolarHBondContact CG-OG1 3.48Å; T914-W985 VanDerWaalsContact CB-CH2 3.41Å; T914-W985 HydrophobicContact CG2-CH2 4.12Å; T914-W985 HydrophobicContact CG2-CZ3 4.26Å; T914-W985 WeakPolarHBondContact OG1-CH2 3.3Å; T914-W985 WeakPolarHBondContact OG1-CZ2 3.4Å
915	I	96.5	Very high	86.9	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-20.4	-172.1	60.3	164.5	0	0	0	114.1	Y828 Y837 L861 A863 L865 P913 Y936 G937	Y828-I915 HydrophobicContact CD1-CD1 4Å; Y828-I915 HydrophobicContact CD2-CD1 4.15Å; Y828-I915 HydrophobicContact CE1-CD1 3.69Å; Y828-I915 HydrophobicContact CE2-CD1 3.82Å; Y828-I915 HydrophobicContact CG-CD1 4.22Å; Y837-I915 HydrophobicContact CD2-CD1 4.31Å; Y837-I915 HydrophobicContact CE1-CG2 4.39Å; Y837-I915 HydrophobicContact CE2-CB 3.83Å; Y837-I915 HydrophobicContact CE2-CD1 4.21Å; Y837-I915 HydrophobicContact CE2-CG2 3.91Å; L861-I915 HydrophobicContact CD2-CD1 4.19Å; L861-I915 HydrophobicContact CD2-CG1 4.25Å; L861-I915 HydrophobicContact CG-CG1 4.34Å; L861-I915 PolarHBondContact O-N 2.79Å; A863-I915 HydrophobicContact CB-CD1 3.51Å; A863-I915 HydrophobicContact CB-CG1 4.05Å; A863-I915 HydrophobicContact CB-CG2 4.29Å; L865-I915 HydrophobicContact CD1-CG2 3.75Å; P913-I915 HydrophobicContact CG-CG2 4.32Å; I915-Y936 HydrophobicContact CD1-CE2 4.12Å; I915-Y936 HydrophobicContact CG1-CE2 4.46Å; I915-Y936 WeakPolarHBondContact O-CA 3.36Å; I915-Y936 VanDerWaalsContact O-CD2 3.27Å; I915-Y936 WeakPolarHBondContact O-CD2 3.42Å; I915-G937 PolarHBondContact O-N 3.45Å
916	L	97.3	Very high	85.5	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.7	178.4	179.8	66.9	0	0	0	109.8	L860 L861 L918 I935 Y936 L954 L958 L973 M977	L860-L916 CarbonylContact C-O 3.38Å; L860-L916 WeakPolarHBondContact CA-O 3.47Å; L861-L916 HydrophobicContact CB-CB 3.79Å; L861-L916 HydrophobicContact CD2-CB 4.26Å; L861-L916 HydrophobicContact CD2-CD2 4.39Å; L861-L916 PolarHBondContact N-O 2.91Å; L916-L918 HydrophobicContact CD1-CD2 3.99Å; L916-L918 HydrophobicContact CD2-CD2 4.4Å; L916-L918 HydrophobicContact CD2-CG 4.47Å; L916-L918 HydrophobicContact CG-CD2 4.15Å; L916-L918 HydrophobicContact CG-CG 4.34Å; L916-I935 CarbonylContact C-O 3.46Å; L916-I935 WeakPolarHBondContact CA-O 3.31Å; L916-Y936 HydrophobicContact CB-CD2 3.98Å; L916-Y936 HydrophobicContact CD1-CD2 3.98Å; L916-Y936 HydrophobicContact CD1-CG 4.36Å; L916-L954 HydrophobicContact CD2-CD1 4.21Å; L916-L958 HydrophobicContact CD1-CD1 4.29Å; L916-L958 HydrophobicContact CD1-CD2 4.07Å; L916-L958 HydrophobicContact CD2-CD2 4.26Å; L916-L973 HydrophobicContact CD2-CD1 4.2Å; L916-L973 HydrophobicContact CD2-CD2 4.32Å; L916-M977 HydrophobicContact CD2-CE 4.08Å; L916-M977 HydrophobicContact CG-CE 4.3Å
917	G	96.8	Very high	84.2	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.8	172.9	0	0	0	0	0	111.3	L843 F846 I935	L843-G917 VanDerWaalsContact CD1-N 3.32Å; F846-G917 VanDerWaalsContact CZ-C 3.41Å; G917-I935 PolarHBondContact N-O 2.97Å; G917-I935 PolarHBondContact O-N 2.81Å
918	L	96.2	Very high	83.4	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.7	177.7	-55.5	-177.4	0	0	0	109.5	T858 V859 L916 L933 L958 F961 I969 M977	T858-L918 WeakPolarHBondContact CA-O 3.27Å; V859-L918 PolarHBondContact N-O 2.69Å; V859-L918 PolarHBondContact O-N 3.09Å; L916-L918 HydrophobicContact CD1-CD2 3.99Å; L916-L918 HydrophobicContact CD2-CD2 4.4Å; L916-L918 HydrophobicContact CD2-CG 4.47Å; L916-L918 HydrophobicContact CG-CD2 4.15Å; L916-L918 HydrophobicContact CG-CG 4.34Å; L918-L933 WeakPolarHBondContact CA-O 3.38Å; L918-L958 HydrophobicContact CD2-CD2 3.6Å; L918-F961 HydrophobicContact CB-CE1 4.04Å; L918-F961 HydrophobicContact CB-CE2 4.37Å; L918-F961 HydrophobicContact CB-CZ 3.84Å; L918-F961 HydrophobicContact CD2-CD1 4.23Å; L918-F961 HydrophobicContact CD2-CE1 4.14Å; L918-I969 HydrophobicContact CD1-CD1 3.64Å; L918-I969 HydrophobicContact CD1-CG1 3.88Å; L918-I969 HydrophobicContact CD1-CG2 4.36Å; L918-M977 HydrophobicContact CB-CE 4.37Å; L918-M977 HydrophobicContact CD1-CE 3.66Å; L918-M977 HydrophobicContact CD1-SD 3.98Å; L918-M977 HydrophobicContact CG-CE 3.7Å
919	W	94.7	Very high	83.2	Confident	1 Å²	1	58.9 Å²	58.9	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.1	172.4	-170.6	95.8	0	0	0	110.3	F846 I851 H854 T858 P921 M930 L933 F961	F846-W919 HydrophobicContact CE1-CB 3.93Å; F846-W919 HydrophobicContact CZ-CB 4.16Å; I851-W919 HydrophobicContact CB-CH2 4.24Å; I851-W919 HydrophobicContact CB-CZ2 4.01Å; I851-W919 HydrophobicContact CD1-CD2 3.56Å; I851-W919 HydrophobicContact CD1-CE3 3.93Å; I851-W919 HydrophobicContact CD1-CG 3.95Å; I851-W919 HydrophobicContact CD1-CH2 4.24Å; I851-W919 HydrophobicContact CD1-CZ2 3.87Å; I851-W919 HydrophobicContact CD1-CZ3 4.26Å; I851-W919 HydrophobicContact CG1-CD2 4.35Å; I851-W919 HydrophobicContact CG1-CH2 4.37Å; I851-W919 HydrophobicContact CG1-CZ2 3.8Å; H854-W919 HydrophobicContact CB-CH2 4.13Å; T858-W919 VanDerWaalsContact OG1-CD1 3.26Å; W919-P921 HydrophobicContact CH2-CB 4.06Å; W919-P921 HydrophobicContact CZ3-CB 4.17Å; W919-P921 HydrophobicContact CZ3-CG 4.38Å; W919-M930 HydrophobicContact CE3-CE 3.93Å; W919-M930 HydrophobicContact CH2-CE 3.62Å; W919-M930 HydrophobicContact CH2-CG 4.4Å; W919-M930 HydrophobicContact CH2-SD 3.37Å; W919-M930 WeakPolarHBondContact CH2-SD 3.43Å; W919-M930 HydrophobicContact CZ2-SD 4.5Å; W919-M930 HydrophobicContact CZ3-CE 3.25Å; W919-M930 HydrophobicContact CZ3-CG 4.01Å; W919-M930 HydrophobicContact CZ3-SD 3.43Å; W919-M930 WeakPolarHBondContact CZ3-SD 3.31Å; W919-L933 HydrophobicContact CB-CB 4.05Å; W919-L933 HydrophobicContact CB-CD1 4.3Å; W919-L933 HydrophobicContact CB-CG 4.42Å; W919-L933 PolarHBondContact N-O 2.98Å; W919-L933 PolarHBondContact O-N 3.41Å; W919-L933 VanDerWaalsContact O-N 3.08Å; W919-F961 WeakPolarHBondContact O-CZ 3.36Å
920	T	92.3	Very high	83.4	Confident	17 Å²	17	51.5 Å²	51.5	10%	0.104	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.8	175.4	-177.3	0	0	0	0	110.7	G856 R857 F961	G856-T920 CarbonylContact C-O 3.54Å; G856-T920 WeakPolarHBondContact CA-O 3.08Å; R857-T920 HydrophobicContact CB-CG2 4.44Å; R857-T920 PolarHBondContact N-O 2.91Å; R857-T920 PolarHBondContact O-N 2.57Å; R857-T920 VanDerWaalsContact O-N 3.07Å; T920-F961 HydrophobicContact CG2-CE2 4.26Å
921	P	90.2	Very high	83.6	Confident	7 Å²	7	50.5 Å²	50.5	5%	0.045	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143.4	171.4	27.7	-33.9	0	0	0	111	T855 W919 S928	T855-P921 CarbonylContact O-C 3.56Å; T855-P921 WeakPolarHBondContact O-CA 3.02Å; W919-P921 HydrophobicContact CH2-CB 4.06Å; W919-P921 HydrophobicContact CZ3-CB 4.17Å; W919-P921 HydrophobicContact CZ3-CG 4.38Å; P921-S928 WeakPolarHBondContact CB-OG 3.37Å
922	I	83.3	Confident	83.8	Confident	82 Å²	82	49 Å²	49	42%	0.421	26%	0.259	S	S	.	.			trans	-87.8	130.8	172.9	-66	168.3	0	0	0	107.9	T855 G856 R857 E924	T855-I922 PolarHBondContact O-N 3.33Å; G856-I922 VanDerWaalsContact O-CD1 3.23Å; G856-I922 WeakPolarHBondContact O-CD1 3.25Å; R857-I922 HydrophobicContact CB-CD1 4.06Å; R857-I922 HydrophobicContact CB-CG1 3.99Å; I922-E924 HydrophobicContact CG2-CG 4.46Å
923	V	67.9	Low	84	Confident	59 Å²	59	45.4 Å²	45.4	36%	0.358	24%	0.238	S	C	.	.			trans	-109.1	106.4	-178.7	172.4	0	0	0	0	108.8	V926	V923-V926 WeakPolarHBondContact CG1-O 3Å
924	E	62.7	Low	84.1	Confident	171 Å²	171	45.2 Å²	45.2	80%	0.799	24%	0.236	S	C	*	.	S	Bend	trans	-87.7	-31.7	172.7	-71.9	-171.7	176	0	0	112.7	I922	I922-E924 HydrophobicContact CG2-CG 4.46Å
925	N	55.8	Low	84.1	Confident	163 Å²	163	45.2 Å²	45.2	87%	0.872	24%	0.236	S	C	*	.	S	Bend	trans	-159.5	-9.1	176.7	-86.1	-43.2	0	0	0	116.3
926	V	58.8	Low	84.2	Confident	118 Å²	118	45.1 Å²	45.1	72%	0.715	24%	0.236	S	C	*	.	S	Bend	trans	-127.2	135.6	-179.9	-178.8	0	0	0	0	108.8	V923 S928	V923-V926 WeakPolarHBondContact CG1-O 3Å; V926-S928 PolarHBondContact O-N 3Å
927	I	60.1	Low	84.2	Confident	133 Å²	133	45.1 Å²	45.1	68%	0.682	24%	0.236	S	C	*	.			trans	-56.9	106.4	171.8	-57.9	170.8	0	0	0	106.8	E929	I927-E929 PolarHBondContact O-N 3.17Å
928	S	66.3	Low	84.1	Confident	21 Å²	21	45.1 Å²	45.1	15%	0.147	24%	0.236	C	C	.	.			trans	-62.3	121.9	172.2	-177.9	0	0	0	0	107.5	H854 P921 V926 M930	H854-S928 PolarHBondContact ND1-OG 2.65Å; H854-S928 VanDerWaalsContact ND1-OG 3.1Å; P921-S928 WeakPolarHBondContact CB-OG 3.37Å; V926-S928 PolarHBondContact O-N 3Å; S928-M930 PolarHBondContact O-N 3.08Å
929	E	79.1	Confident	84	Confident	149 Å²	149	45 Å²	45	70%	0.696	24%	0.236	S	C	*	.			trans	-73.6	-13.5	178.8	-64.6	-171.3	164.9	0	0	111.9	G767 I927	G767-E929 WeakPolarHBondContact CA-O 3.27Å; G767-E929 PolarHBondContact N-O 2.93Å; I927-E929 PolarHBondContact O-N 3.17Å
930	M	89.8	Confident	83.8	Confident	3 Å²	3	45 Å²	45	2%	0.015	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-62.8	139.6	179.7	176.3	170.7	178.4	0	0	112.8	V763 T764 I851 H854 W919 S928	V763-M930 HydrophobicContact CG1-CE 3.93Å; V763-M930 WeakPolarHBondContact O-CA 3.31Å; T764-M930 HydrophobicContact CG2-CE 3.98Å; T764-M930 HydrophobicContact CG2-SD 4.05Å; I851-M930 HydrophobicContact CB-CE 3.79Å; I851-M930 HydrophobicContact CB-SD 4.25Å; I851-M930 HydrophobicContact CD1-CE 3.87Å; I851-M930 HydrophobicContact CG1-CE 4.39Å; I851-M930 HydrophobicContact CG2-CE 3.64Å; I851-M930 HydrophobicContact CG2-SD 4.37Å; H854-M930 HydrophobicContact CB-CB 4.49Å; H854-M930 HydrophobicContact CB-SD 3.72Å; W919-M930 HydrophobicContact CE3-CE 3.93Å; W919-M930 HydrophobicContact CH2-CE 3.62Å; W919-M930 HydrophobicContact CH2-CG 4.4Å; W919-M930 HydrophobicContact CH2-SD 3.37Å; W919-M930 WeakPolarHBondContact CH2-SD 3.43Å; W919-M930 HydrophobicContact CZ2-SD 4.5Å; W919-M930 HydrophobicContact CZ3-CE 3.25Å; W919-M930 HydrophobicContact CZ3-CG 4.01Å; W919-M930 HydrophobicContact CZ3-SD 3.43Å; W919-M930 WeakPolarHBondContact CZ3-SD 3.31Å; S928-M930 PolarHBondContact O-N 3.08Å
931	G	92.9	Very high	83.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.01	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-69.7	166.2	175.6	0	0	0	0	0	113.6	V763 L768	V763-G931 PolarHBondContact O-N 3.39Å; L768-G931 WeakPolarHBondContact O-CA 3.24Å
932	R	93.9	Very high	83.8	Confident	21 Å²	21	44 Å²	44	8%	0.079	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-101.3	150.9	-178.3	-77.5	53.8	171.5	-110.9	9.4	109.2	S769 L770 F961 S962 S964 S965	S769-R932 CarbonylContact C-O 3.39Å; S769-R932 VanDerWaalsContact CA-O 3.29Å; S769-R932 WeakPolarHBondContact CA-O 3.4Å; S769-R932 WeakPolarHBondContact CB-O 3.41Å; S769-R932 PolarHBondContact OG-N 2.86Å; S769-R932 VanDerWaalsContact OG-N 3.12Å; L770-R932 PolarHBondContact N-O 2.98Å; R932-F961 HydrophobicContact CB-CD1 4.26Å; R932-F961 HydrophobicContact CB-CE1 3.7Å; R932-F961 HydrophobicContact CB-CZ 4.1Å; R932-F961 HydrophobicContact CG-CE1 4.13Å; R932-F961 HydrophobicContact CG-CZ 4.06Å; R932-S962 PolarHBondContact NH1-O 2.57Å; R932-S962 VanDerWaalsContact NH1-O 3.08Å; R932-S964 PolarHBondContact NH1-O 3.11Å; R932-S964 PolarHBondContact NH2-O 3.03Å; R932-S965 PolarHBondContact NH2-O 3.29Å
933	L	96.9	Very high	84	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.8	178.9	-52.8	176.2	0	0	0	109.5	V763 L770 F815 I817 I851 L918 W919	V763-L933 HydrophobicContact CG1-CD2 3.87Å; L770-L933 HydrophobicContact CB-CD2 3.82Å; L770-L933 HydrophobicContact CD2-CD2 4.21Å; L770-L933 WeakPolarHBondContact O-CA 3.48Å; F815-L933 HydrophobicContact CB-CD1 3.94Å; F815-L933 HydrophobicContact CD1-CD1 3.74Å; F815-L933 HydrophobicContact CD1-CD2 4.39Å; F815-L933 HydrophobicContact CE1-CD1 4.44Å; F815-L933 HydrophobicContact CE1-CD2 4.33Å; F815-L933 HydrophobicContact CG-CD1 3.91Å; I817-L933 HydrophobicContact CD1-CD1 3.78Å; I851-L933 HydrophobicContact CD1-CD1 3.61Å; L918-L933 WeakPolarHBondContact CA-O 3.38Å; W919-L933 HydrophobicContact CB-CB 4.05Å; W919-L933 HydrophobicContact CB-CD1 4.3Å; W919-L933 HydrophobicContact CB-CG 4.42Å; W919-L933 PolarHBondContact N-O 2.98Å; W919-L933 PolarHBondContact O-N 3.41Å; W919-L933 VanDerWaalsContact O-N 3.08Å
934	S	97.7	Very high	84.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117.1	170.5	-50	0	0	0	0	109.4	L770 I771 V772 F961	L770-S934 PolarHBondContact O-N 3.21Å; I771-S934 CarbonylContact C-O 3.51Å; I771-S934 VanDerWaalsContact CA-O 3.28Å; I771-S934 WeakPolarHBondContact CA-O 3.05Å; V772-S934 PolarHBondContact N-O 3.35Å; S934-F961 VanDerWaalsContact OG-CD1 3.28Å; S934-F961 WeakPolarHBondContact OG-CD1 3.29Å
935	I	98.1	Very high	85.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.2	-172.9	-48.7	-63.5	0	0	0	108.6	V772 L812 I817 F819 L843 F846 L916 G917	V772-I935 HydrophobicContact CB-CD1 3.69Å; V772-I935 HydrophobicContact CB-CG2 4.4Å; V772-I935 HydrophobicContact CG2-CD1 3.54Å; L812-I935 HydrophobicContact CD1-CD1 4.22Å; L812-I935 HydrophobicContact CD1-CG2 4.28Å; L812-I935 HydrophobicContact CD2-CD1 4.02Å; I817-I935 HydrophobicContact CD1-CG1 4Å; I817-I935 HydrophobicContact CG2-CG1 4.24Å; I817-I935 HydrophobicContact CG2-CG2 4.3Å; F819-I935 HydrophobicContact CE1-CG2 3.95Å; F819-I935 HydrophobicContact CE2-CG2 3.63Å; F819-I935 HydrophobicContact CZ-CG2 3.17Å; L843-I935 HydrophobicContact CD2-CB 4.35Å; L843-I935 HydrophobicContact CD2-CG2 3.76Å; F846-I935 HydrophobicContact CE2-CB 4.21Å; F846-I935 HydrophobicContact CE2-CG1 4.01Å; L916-I935 CarbonylContact C-O 3.46Å; L916-I935 WeakPolarHBondContact CA-O 3.31Å; G917-I935 PolarHBondContact N-O 2.97Å; G917-I935 PolarHBondContact O-N 2.81Å
936	Y	97.9	Very high	85.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.3	-177.2	-173.6	-111.3	0	0	0	110	V772 F773 A774 Y828 Y837 I915 L916 D938 L954	V772-Y936 PolarHBondContact O-N 3.47Å; F773-Y936 WeakPolarHBondContact CA-O 3.2Å; F773-Y936 AromaticContact CD1-CD1 3.42Å; F773-Y936 HydrophobicContact CD1-CD1 3.42Å; F773-Y936 VanDerWaalsContact CD1-CD1 3.42Å; F773-Y936 HydrophobicContact CD1-CE1 4.15Å; F773-Y936 HydrophobicContact CD1-CG 4.31Å; F773-Y936 AromaticContact CE1-CD1 3.38Å; F773-Y936 HydrophobicContact CE1-CD1 3.38Å; F773-Y936 AromaticContact CE1-CE1 3.97Å; F773-Y936 HydrophobicContact CE1-CE1 3.97Å; F773-Y936 HydrophobicContact CE1-CG 4.13Å; F773-Y936 HydrophobicContact CG-CD1 4.3Å; F773-Y936 HydrophobicContact CZ-CD1 4.29Å; A774-Y936 PolarHBondContact N-O 2.81Å; Y828-Y936 WeakPolarHBondContact CE1-OH 3.14Å; Y828-Y936 WeakPolarHBondContact OH-CE2 3.33Å; Y828-Y936 PolarHBondContact OH-OH 2.83Å; Y837-Y936 HydrophobicContact CD2-CE2 4.5Å; Y837-Y936 AromaticContact CD2-CZ 3.96Å; Y837-Y936 WeakPolarHBondContact CD2-OH 3.2Å; Y837-Y936 HydrophobicContact CE2-CE1 4.32Å; Y837-Y936 HydrophobicContact CE2-CE2 4Å; Y837-Y936 AromaticContact CE2-CZ 3.72Å; I915-Y936 HydrophobicContact CD1-CE2 4.12Å; I915-Y936 HydrophobicContact CG1-CE2 4.46Å; I915-Y936 WeakPolarHBondContact O-CA 3.36Å; I915-Y936 VanDerWaalsContact O-CD2 3.27Å; I915-Y936 WeakPolarHBondContact O-CD2 3.42Å; L916-Y936 HydrophobicContact CB-CD2 3.98Å; L916-Y936 HydrophobicContact CD1-CD2 3.98Å; L916-Y936 HydrophobicContact CD1-CG 4.36Å; Y936-D938 HydrophobicContact CD1-CB 4.47Å; Y936-D938 WeakPolarHBondContact CD1-O 3.32Å; Y936-D938 HydrophobicContact CE1-CB 3.85Å; Y936-D938 WeakPolarHBondContact CE1-O 3.09Å; Y936-L954 HydrophobicContact CD1-CD2 4.48Å; Y936-L954 HydrophobicContact CD2-CD2 4.12Å; Y936-L954 HydrophobicContact CE1-CD2 4.18Å; Y936-L954 HydrophobicContact CE2-CD2 3.79Å; Y936-L954 HydrophobicContact CG-CD2 4.45Å
937	G	96.7	Very high	85.7	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-93.5	5.1	-167.3	0	0	0	0	0	117.4	A774 Y837 G840 S841 I915	A774-G937 CarbonylContact C-O 3.49Å; A774-G937 CarbonylContact O-C 3.52Å; Y837-G937 WeakPolarHBondContact OH-CA 3.15Å; Y837-G937 PolarHBondContact OH-O 3.45Å; G840-G937 CarbonylContact C-O 3.52Å; G840-G937 WeakPolarHBondContact CA-O 3.46Å; S841-G937 PolarHBondContact N-O 2.83Å; S841-G937 PolarHBondContact OG-O 3.28Å; I915-G937 PolarHBondContact O-N 3.45Å
938	D	95.1	Very high	85.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.			trans	-141.9	128.8	-177.4	-177.2	80.2	0	0	0	110.3	F773 A774 Y837 H838 G840 Y936	F773-D938 VanDerWaalsContact CD1-O 3.3Å; F773-D938 WeakPolarHBondContact CD1-O 3.28Å; A774-D938 CarbonylContact O-C 3.54Å; A774-D938 WeakPolarHBondContact O-CA 3.29Å; A774-D938 PolarHBondContact O-N 3.43Å; Y837-D938 HydrophobicContact CD1-CB 4.27Å; Y837-D938 HydrophobicContact CD2-CB 3.65Å; Y837-D938 HydrophobicContact CE1-CB 4.04Å; Y837-D938 HydrophobicContact CE2-CB 3.37Å; Y837-D938 HydrophobicContact CG-CB 4.1Å; H838-D938 PolarHBondContact N-OD1 3.31Å; H838-D938 PolarHBondContact N-OD2 2.81Å; G840-D938 PolarHBondContact N-OD1 3.2Å; Y936-D938 HydrophobicContact CD1-CB 4.47Å; Y936-D938 WeakPolarHBondContact CD1-O 3.32Å; Y936-D938 HydrophobicContact CE1-CB 3.85Å; Y936-D938 WeakPolarHBondContact CE1-O 3.09Å
939	S	93.6	Very high	85.9	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.			trans	-105.2	-20.3	179.8	93.8	0	0	0	0	113.4	A774 D775 C941 L942	A774-S939 PolarHBondContact O-N 2.96Å; D775-S939 PolarHBondContact OD1-N 2.99Å; D775-S939 WeakPolarHBondContact OD2-CB 3.38Å; D775-S939 PolarHBondContact OD2-N 2.98Å; D775-S939 PolarHBondContact OD2-OG 3.16Å; S939-C941 PolarHBondContact O-N 3.23Å; S939-L942 WeakPolarHBondContact O-CA 3.12Å; S939-L942 VanDerWaalsContact O-CB 3.29Å; S939-L942 WeakPolarHBondContact O-CB 3.46Å; S939-L942 PolarHBondContact O-N 2.84Å
940	D	90.6	Very high	86.3	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-50.2	-38.2	-175.4	-175.8	92.8	0	0	0	113.4	D690 H838 L942 S943 H946	D690-D940 HydrophobicContact CB-CB 4.25Å; H838-D940 HydrophobicContact CB-CB 3.95Å; H838-D940 IonicContact CE1-OD2 3.11Å; H838-D940 IonicContact CG-OD2 3.34Å; H838-D940 IonicContact ND1-OD2 2.75Å; H838-D940 PolarHBondContact ND1-OD2 3.17Å; D940-L942 PolarHBondContact O-N 3.15Å; D940-L942 VanDerWaalsContact O-N 3.09Å; D940-S943 WeakPolarHBondContact O-CB 3.29Å; D940-S943 PolarHBondContact O-N 3.23Å; D940-H946 VanDerWaalsContact CG-CD2 3.48Å; D940-H946 IonicContact OD1-CD2 3.35Å; D940-H946 PolarHBondContact OD1-CD2 2.99Å; D940-H946 IonicContact OD1-CE1 3.69Å; D940-H946 IonicContact OD1-CG 2.78Å; D940-H946 IonicContact OD1-ND1 3.07Å; D940-H946 IonicContact OD1-NE2 3.49Å; D940-H946 PolarHBondContact OD1-NE2 2.88Å; D940-H946 WeakPolarHBondContact OD2-CB 3.42Å; D940-H946 IonicContact OD2-CD2 3.55Å; D940-H946 IonicContact OD2-CG 2.66Å
941	C	90.4	Very high	86.3	Confident	4 Å²	4	20.8 Å²	20.8	3%	0.027	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-66.1	-11.5	178.5	71.4	0	0	0	0	115	S939 N950 C951	S939-C941 PolarHBondContact O-N 3.23Å; C941-N950 WeakPolarHBondContact O-CA 3.47Å; C941-C951 HydrophobicContact CB-CB 3.63Å; C941-C951 WeakPolarHBondContact CB-SG 2.88Å; C941-C951 PolarHBondContact O-N 2.84Å; C941-C951 PolarHBondContact O-SG 2.98Å; C941-C951 VanDerWaalsContact O-SG 3.34Å; C941-C951 WeakPolarHBondContact SG-CB 3.23Å; C941-C951 CovalentContact SG-SG 2.03Å; C941-C951 PolarHBondContact SG-SG 2.88Å
942	L	92.7	Very high	86.4	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-93.1	-16.4	170.4	-60.7	-179.2	0	0	0	112.9	F710 L713 I745 F773 S939 D940 C951 F952 L955	F710-L942 HydrophobicContact CD1-CB 4.08Å; F710-L942 HydrophobicContact CE1-CB 4.06Å; L713-L942 HydrophobicContact CD2-CB 4.37Å; L713-L942 HydrophobicContact CD2-CD1 4.27Å; I745-L942 HydrophobicContact CD1-CD1 3.92Å; I745-L942 HydrophobicContact CG1-CD1 4.42Å; I745-L942 HydrophobicContact CG2-CD1 4.34Å; F773-L942 HydrophobicContact CB-CD1 4.33Å; F773-L942 HydrophobicContact CD1-CD1 3.37Å; F773-L942 HydrophobicContact CD1-CG 3.94Å; F773-L942 HydrophobicContact CD2-CD1 3.97Å; F773-L942 HydrophobicContact CE1-CD1 3.56Å; F773-L942 HydrophobicContact CE1-CD2 4.22Å; F773-L942 HydrophobicContact CE1-CG 3.9Å; F773-L942 HydrophobicContact CE2-CD1 4.1Å; F773-L942 HydrophobicContact CG-CD1 3.63Å; F773-L942 HydrophobicContact CZ-CD1 3.93Å; S939-L942 WeakPolarHBondContact O-CA 3.12Å; S939-L942 VanDerWaalsContact O-CB 3.29Å; S939-L942 WeakPolarHBondContact O-CB 3.46Å; S939-L942 PolarHBondContact O-N 2.84Å; D940-L942 PolarHBondContact O-N 3.15Å; D940-L942 VanDerWaalsContact O-N 3.09Å; L942-C951 WeakPolarHBondContact CD2-SG 3.39Å; L942-F952 HydrophobicContact CD2-CD1 3.99Å; L942-F952 HydrophobicContact CD2-CE1 4.43Å; L942-L955 HydrophobicContact CD2-CB 4.25Å; L942-L955 HydrophobicContact CD2-CD2 4.41Å
943	S	88.2	Confident	86.3	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.014	12%	0.121	C	C	.	.			trans	-77	144.9	-175.7	-165.9	0	0	0	0	112.4	N709 D940 T945 H946	N709-S943 PolarHBondContact O-OG 3.44Å; D940-S943 WeakPolarHBondContact O-CB 3.29Å; D940-S943 PolarHBondContact O-N 3.23Å; S943-T945 VanDerWaalsContact C-N 3.27Å; S943-T945 WeakPolarHBondContact CB-OG1 3.4Å; S943-T945 PolarHBondContact OG-OG1 3.23Å; S943-H946 PolarHBondContact O-N 3Å
944	S	84.3	Confident	86.2	Confident	7 Å²	7	22.3 Å²	22.3	5%	0.049	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-78.4	-17	-179.5	-45.3	0	0	0	0	111.1	N709 L711 D712 H946	N709-S944 WeakPolarHBondContact O-CA 3.35Å; N709-S944 WeakPolarHBondContact O-CB 3.23Å; N709-S944 PolarHBondContact O-N 2.89Å; N709-S944 PolarHBondContact O-OG 2.86Å; L711-S944 PolarHBondContact N-OG 2.75Å; D712-S944 PolarHBondContact N-OG 2.87Å; D712-S944 WeakPolarHBondContact OD2-CB 3.44Å; S944-H946 PolarHBondContact O-N 2.83Å
945	T	74.4	Confident	86.1	Confident	38 Å²	38	22.3 Å²	22.3	23%	0.233	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-64.2	-25.8	172.4	44.6	0	0	0	0	112.2	L348 L702 S943	L348-T945 HydrophobicContact CD1-CG2 3.55Å; L702-T945 HydrophobicContact CD1-CG2 3.42Å; L702-T945 VanDerWaalsContact CD1-CG2 3.42Å; S943-T945 VanDerWaalsContact C-N 3.27Å; S943-T945 WeakPolarHBondContact CB-OG1 3.4Å; S943-T945 PolarHBondContact OG-OG1 3.23Å
946	H	64.1	Low	85.9	Confident	20 Å²	20	23 Å²	23	9%	0.093	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-123.4	34.9	-167.3	-58.3	-78.6	0	0	0	115.7	D940 S943 S944 N948	D940-H946 VanDerWaalsContact CG-CD2 3.48Å; D940-H946 IonicContact OD1-CD2 3.35Å; D940-H946 PolarHBondContact OD1-CD2 2.99Å; D940-H946 IonicContact OD1-CE1 3.69Å; D940-H946 IonicContact OD1-CG 2.78Å; D940-H946 IonicContact OD1-ND1 3.07Å; D940-H946 IonicContact OD1-NE2 3.49Å; D940-H946 PolarHBondContact OD1-NE2 2.88Å; D940-H946 WeakPolarHBondContact OD2-CB 3.42Å; D940-H946 IonicContact OD2-CD2 3.55Å; D940-H946 IonicContact OD2-CG 2.66Å; S943-H946 PolarHBondContact O-N 3Å; S944-H946 PolarHBondContact O-N 2.83Å; H946-N948 PolarHBondContact O-N 2.87Å
947	L	56	Low	85.8	Confident	81 Å²	81	23.3 Å²	23.3	42%	0.424	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	12.9	-172.3	-69.3	170.2	0	0	0	118.6	D712 S949 F952	D712-L947 HydrophobicContact CB-CD2 4.1Å; D712-L947 WeakPolarHBondContact OD2-CD1 3.42Å; L947-S949 PolarHBondContact O-N 2.84Å; L947-F952 HydrophobicContact CD2-CZ 4.41Å
948	N	61.3	Low	85.8	Confident	148 Å²	148	23.3 Å²	23.3	79%	0.791	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-32.7	173.3	-77.2	-19	0	0	0	111.5	H946	H946-N948 PolarHBondContact O-N 2.87Å
949	S	70.9	Confident	85.8	Confident	45 Å²	45	23.3 Å²	23.3	32%	0.315	13%	0.127	S	C	.	.	S	Bend	trans	-155.9	104.2	173.4	54.6	0	0	0	0	111.8	L947	L947-S949 PolarHBondContact O-N 2.84Å
950	N	86.4	Confident	85.9	Confident	70 Å²	70	28.1 Å²	28.1	37%	0.374	15%	0.149	S	C	.	.			trans	-81.1	154	177.2	64.7	73.6	0	0	0	113.3	C941 F952	C941-N950 WeakPolarHBondContact O-CA 3.47Å; N950-F952 HydrophobicContact CB-CD1 4.22Å; N950-F952 HydrophobicContact CB-CD2 3.86Å; N950-F952 HydrophobicContact CB-CE1 4.18Å; N950-F952 HydrophobicContact CB-CE2 3.83Å; N950-F952 HydrophobicContact CB-CG 4.05Å; N950-F952 HydrophobicContact CB-CZ 3.97Å; N950-F952 WeakPolarHBondContact OD1-CD2 3.27Å
951	C	91	Very high	86	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.			trans	-106.1	23.3	173	67	0	0	0	0	113.1	V835 C941 L942 W953 L954 L955	V835-C951 HydrophobicContact CG1-CB 3.95Å; C941-C951 HydrophobicContact CB-CB 3.63Å; C941-C951 WeakPolarHBondContact CB-SG 2.88Å; C941-C951 PolarHBondContact O-N 2.84Å; C941-C951 PolarHBondContact O-SG 2.98Å; C941-C951 VanDerWaalsContact O-SG 3.34Å; C941-C951 WeakPolarHBondContact SG-CB 3.23Å; C941-C951 CovalentContact SG-SG 2.03Å; C941-C951 PolarHBondContact SG-SG 2.88Å; L942-C951 WeakPolarHBondContact CD2-SG 3.39Å; C951-W953 PolarHBondContact O-N 3.01Å; C951-L954 HydrophobicContact CB-CB 4.28Å; C951-L954 WeakPolarHBondContact O-CA 3.31Å; C951-L954 VanDerWaalsContact O-CB 3.26Å; C951-L954 WeakPolarHBondContact O-CB 3.37Å; C951-L954 PolarHBondContact O-N 2.99Å; C951-L955 PolarHBondContact O-N 2.83Å
952	F	93.6	Very high	86.2	Confident	14 Å²	14	28 Å²	28	6%	0.061	15%	0.149	C	C	.	.	H	α-helix	trans	-56.1	-27.9	-179.9	-60.2	-26.5	0	0	0	113.8	D712 L713 H716 L942 L947 N950 L954 L955 D956	D712-F952 HydrophobicContact CB-CE2 3.99Å; D712-F952 HydrophobicContact CB-CZ 3.63Å; L713-F952 HydrophobicContact CB-CD1 4.46Å; L713-F952 HydrophobicContact CB-CE1 3.86Å; L713-F952 HydrophobicContact CB-CZ 4.47Å; L713-F952 HydrophobicContact CD1-CD1 4.36Å; H716-F952 HydrophobicContact CB-CD2 3.93Å; H716-F952 HydrophobicContact CB-CE2 4.35Å; H716-F952 HydrophobicContact CB-CG 4.24Å; H716-F952 AromaticContact CG-CD2 3.99Å; L942-F952 HydrophobicContact CD2-CD1 3.99Å; L942-F952 HydrophobicContact CD2-CE1 4.43Å; L947-F952 HydrophobicContact CD2-CZ 4.41Å; N950-F952 HydrophobicContact CB-CD1 4.22Å; N950-F952 HydrophobicContact CB-CD2 3.86Å; N950-F952 HydrophobicContact CB-CE1 4.18Å; N950-F952 HydrophobicContact CB-CE2 3.83Å; N950-F952 HydrophobicContact CB-CG 4.05Å; N950-F952 HydrophobicContact CB-CZ 3.97Å; N950-F952 WeakPolarHBondContact OD1-CD2 3.27Å; F952-L954 VanDerWaalsContact C-N 3.34Å; F952-L955 PolarHBondContact O-N 2.83Å; F952-D956 PolarHBondContact O-N 2.74Å
953	W	92.4	Very high	86	Confident	40 Å²	40	30.2 Å²	30.2	15%	0.152	16%	0.162	C	C	.	.	H	α-helix	trans	-69.7	-31.5	174.9	73.4	-92.9	0	0	0	113.5	I830 R833 V835 C951 D956 A957	I830-W953 HydrophobicContact CB-CH2 3.58Å; I830-W953 HydrophobicContact CB-CZ2 4.06Å; I830-W953 HydrophobicContact CD1-CH2 3.47Å; I830-W953 VanDerWaalsContact CD1-CH2 3.47Å; I830-W953 HydrophobicContact CD1-CZ2 4.03Å; I830-W953 HydrophobicContact CG1-CH2 4.05Å; I830-W953 HydrophobicContact CG1-CZ2 4.47Å; I830-W953 HydrophobicContact CG2-CH2 3.65Å; I830-W953 HydrophobicContact CG2-CZ3 4.27Å; R833-W953 HydrophobicContact CB-CZ2 4.06Å; V835-W953 HydrophobicContact CG2-CZ2 3.45Å; V835-W953 VanDerWaalsContact CG2-CZ2 3.45Å; C951-W953 PolarHBondContact O-N 3.01Å; W953-D956 WeakPolarHBondContact O-CB 3.21Å; W953-D956 PolarHBondContact O-N 2.57Å; W953-A957 PolarHBondContact O-N 2.86Å
954	L	94.4	Very high	86	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-48.3	174	173.8	60	0	0	0	107.8	L916 Y936 C951 F952 D956 A957 L958 L973	L916-L954 HydrophobicContact CD2-CD1 4.21Å; Y936-L954 HydrophobicContact CD1-CD2 4.48Å; Y936-L954 HydrophobicContact CD2-CD2 4.12Å; Y936-L954 HydrophobicContact CE1-CD2 4.18Å; Y936-L954 HydrophobicContact CE2-CD2 3.79Å; Y936-L954 HydrophobicContact CG-CD2 4.45Å; C951-L954 HydrophobicContact CB-CB 4.28Å; C951-L954 WeakPolarHBondContact O-CA 3.31Å; C951-L954 VanDerWaalsContact O-CB 3.26Å; C951-L954 WeakPolarHBondContact O-CB 3.37Å; C951-L954 PolarHBondContact O-N 2.99Å; F952-L954 VanDerWaalsContact C-N 3.34Å; L954-D956 VanDerWaalsContact C-N 3.32Å; L954-D956 PolarHBondContact O-N 2.78Å; L954-A957 WeakPolarHBondContact O-CA 3.44Å; L954-A957 VanDerWaalsContact O-CB 3.28Å; L954-A957 WeakPolarHBondContact O-CB 3.23Å; L954-A957 PolarHBondContact O-N 3.39Å; L954-L958 HydrophobicContact CD1-CD2 4.45Å; L954-L958 HydrophobicContact CD1-CG 4.41Å; L954-L958 WeakPolarHBondContact O-CG 3.2Å; L954-L958 PolarHBondContact O-N 3.08Å; L954-L973 HydrophobicContact CD1-CD1 4.42Å; L954-L973 HydrophobicContact CD1-CD2 4.26Å
955	L	95.7	Very high	85.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-42	173.7	-178.6	65.5	0	0	0	112.5	L713 L717 L743 I771 F773 L942 C951 F952 A957 L958 L959	L713-L955 HydrophobicContact CD1-CD2 3.15Å; L713-L955 HydrophobicContact CG-CD2 4.43Å; L717-L955 HydrophobicContact CD2-CD2 4.06Å; L743-L955 HydrophobicContact CD2-CD1 4.38Å; I771-L955 HydrophobicContact CD1-CD1 4.36Å; I771-L955 HydrophobicContact CG2-CD1 4.28Å; F773-L955 HydrophobicContact CE2-CD1 3.82Å; F773-L955 HydrophobicContact CZ-CB 4.4Å; F773-L955 HydrophobicContact CZ-CD1 4.22Å; L942-L955 HydrophobicContact CD2-CB 4.25Å; L942-L955 HydrophobicContact CD2-CD2 4.41Å; C951-L955 PolarHBondContact O-N 2.83Å; F952-L955 PolarHBondContact O-N 2.83Å; L955-A957 PolarHBondContact O-N 2.96Å; L955-L958 PolarHBondContact O-N 3.14Å; L955-L958 VanDerWaalsContact O-N 3.12Å; L955-L959 HydrophobicContact CD1-CD1 4.4Å; L955-L959 HydrophobicContact CD1-CG 4.22Å; L955-L959 HydrophobicContact CD2-CD1 4.48Å; L955-L959 HydrophobicContact CG-CD1 3.98Å; L955-L959 HydrophobicContact CG-CG 4.27Å; L955-L959 WeakPolarHBondContact O-CB 3.44Å; L955-L959 WeakPolarHBondContact O-CG 3Å; L955-L959 PolarHBondContact O-N 3.13Å
956	D	95.2	Very high	86	Confident	15 Å²	15	39.1 Å²	39.1	8%	0.08	21%	0.213	C	C	.	.	H	α-helix	trans	-56	-40.3	173	-85.6	-5.2	0	0	0	111.8	H716 K720 F952 W953 L954 Q960	H716-D956 IonicContact CD2-OD1 3.82Å; H716-D956 IonicContact CE1-OD1 3.64Å; H716-D956 IonicContact CE1-OD2 3.27Å; H716-D956 PolarHBondContact CE1-OD2 3.35Å; H716-D956 VanDerWaalsContact NE2-CG 3.26Å; H716-D956 IonicContact NE2-OD1 3.48Å; H716-D956 PolarHBondContact NE2-OD1 2.78Å; H716-D956 IonicContact NE2-OD2 3.55Å; H716-D956 PolarHBondContact NE2-OD2 3.48Å; K720-D956 WeakPolarHBondContact CE-OD2 3.39Å; K720-D956 IonicContact NZ-OD2 3.37Å; K720-D956 PolarHBondContact NZ-OD2 3.11Å; F952-D956 PolarHBondContact O-N 2.74Å; W953-D956 WeakPolarHBondContact O-CB 3.21Å; W953-D956 PolarHBondContact O-N 2.57Å; L954-D956 VanDerWaalsContact C-N 3.32Å; L954-D956 PolarHBondContact O-N 2.78Å; D956-Q960 WeakPolarHBondContact O-CB 2.97Å; D956-Q960 VanDerWaalsContact O-CG 3.25Å; D956-Q960 WeakPolarHBondContact O-CG 3.41Å; D956-Q960 PolarHBondContact O-N 3.47Å
957	A	94.7	Very high	87	Confident	6 Å²	6	38.6 Å²	38.6	5%	0.05	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-41.6	176.5	0	0	0	0	0	111.6	W953 L954 L955 Q960 F961 P970 L973	W953-A957 PolarHBondContact O-N 2.86Å; L954-A957 WeakPolarHBondContact O-CA 3.44Å; L954-A957 VanDerWaalsContact O-CB 3.28Å; L954-A957 WeakPolarHBondContact O-CB 3.23Å; L954-A957 PolarHBondContact O-N 3.39Å; L955-A957 PolarHBondContact O-N 2.96Å; A957-Q960 PolarHBondContact O-N 3.14Å; A957-F961 WeakPolarHBondContact O-CB 3.04Å; A957-F961 PolarHBondContact O-N 2.87Å; A957-P970 HydrophobicContact CB-CG 3.69Å; A957-L973 HydrophobicContact CB-CD2 4.19Å
958	L	96.5	Very high	88.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-38.6	176.8	-59.6	-173.6	0	0	0	112	I771 F773 L916 L918 L954 L955 F961 S962	I771-L958 HydrophobicContact CD1-CB 3.9Å; I771-L958 HydrophobicContact CG2-CD1 4.03Å; F773-L958 HydrophobicContact CE2-CD1 3.82Å; F773-L958 HydrophobicContact CZ-CD1 3.78Å; L916-L958 HydrophobicContact CD1-CD1 4.29Å; L916-L958 HydrophobicContact CD1-CD2 4.07Å; L916-L958 HydrophobicContact CD2-CD2 4.26Å; L918-L958 HydrophobicContact CD2-CD2 3.6Å; L954-L958 HydrophobicContact CD1-CD2 4.45Å; L954-L958 HydrophobicContact CD1-CG 4.41Å; L954-L958 WeakPolarHBondContact O-CG 3.2Å; L954-L958 PolarHBondContact O-N 3.08Å; L955-L958 PolarHBondContact O-N 3.14Å; L955-L958 VanDerWaalsContact O-N 3.12Å; L958-F961 WeakPolarHBondContact O-CB 3.44Å; L958-F961 PolarHBondContact O-N 3.07Å; L958-S962 WeakPolarHBondContact O-CB 3.28Å; L958-S962 PolarHBondContact O-N 3.38Å; L958-S962 PolarHBondContact O-OG 3.28Å
959	L	96.3	Very high	89.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.8	-36.5	174.3	-73.3	170.5	0	0	0	112.2	I672 L717 Y722 T741 I771 L955 S962 T963	I672-L959 HydrophobicContact CD1-CD1 3.95Å; I672-L959 HydrophobicContact CD1-CD2 3.73Å; I672-L959 HydrophobicContact CG1-CD2 4.32Å; L717-L959 HydrophobicContact CD2-CD1 3.47Å; L717-L959 VanDerWaalsContact CD2-CD1 3.47Å; Y722-L959 HydrophobicContact CD2-CD1 4.4Å; Y722-L959 HydrophobicContact CE2-CD1 3.96Å; T741-L959 HydrophobicContact CG2-CD2 3.93Å; I771-L959 HydrophobicContact CD1-CD2 3.83Å; I771-L959 HydrophobicContact CD1-CG 4.17Å; L955-L959 HydrophobicContact CD1-CD1 4.4Å; L955-L959 HydrophobicContact CD1-CG 4.22Å; L955-L959 HydrophobicContact CD2-CD1 4.48Å; L955-L959 HydrophobicContact CG-CD1 3.98Å; L955-L959 HydrophobicContact CG-CG 4.27Å; L955-L959 WeakPolarHBondContact O-CB 3.44Å; L955-L959 WeakPolarHBondContact O-CG 3Å; L955-L959 PolarHBondContact O-N 3.13Å; L959-S962 WeakPolarHBondContact CA-OG 3.48Å; L959-S962 PolarHBondContact O-OG 2.72Å; L959-T963 WeakPolarHBondContact O-CB 3.48Å; L959-T963 VanDerWaalsContact O-CG2 3.3Å; L959-T963 WeakPolarHBondContact O-CG2 3.15Å; L959-T963 PolarHBondContact O-N 2.78Å; L959-T963 VanDerWaalsContact O-N 3.08Å; L959-T963 PolarHBondContact O-OG1 3.23Å
960	Q	93.9	Very high	90.5	Very high	100 Å²	100	37.4 Å²	37.4	47%	0.467	19%	0.192	S	C	.	.	H	α-helix	trans	-65.6	-43.5	172	-75.9	170.9	40.4	0	0	111.3	D956 A957 S964	D956-Q960 WeakPolarHBondContact O-CB 2.97Å; D956-Q960 VanDerWaalsContact O-CG 3.25Å; D956-Q960 WeakPolarHBondContact O-CG 3.41Å; D956-Q960 PolarHBondContact O-N 3.47Å; A957-Q960 PolarHBondContact O-N 3.14Å; Q960-S964 WeakPolarHBondContact O-CB 3.29Å; Q960-S964 PolarHBondContact O-N 2.96Å; Q960-S964 PolarHBondContact O-OG 3.4Å
961	F	94.5	Very high	90.7	Very high	2 Å²	2	43 Å²	43	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-51.6	174.6	168.1	-105.2	0	0	0	111.1	L918 W919 T920 R932 S934 A957 L958 T963 S964 G967 R968 I969	L918-F961 HydrophobicContact CB-CE1 4.04Å; L918-F961 HydrophobicContact CB-CE2 4.37Å; L918-F961 HydrophobicContact CB-CZ 3.84Å; L918-F961 HydrophobicContact CD2-CD1 4.23Å; L918-F961 HydrophobicContact CD2-CE1 4.14Å; W919-F961 WeakPolarHBondContact O-CZ 3.36Å; T920-F961 HydrophobicContact CG2-CE2 4.26Å; R932-F961 HydrophobicContact CB-CD1 4.26Å; R932-F961 HydrophobicContact CB-CE1 3.7Å; R932-F961 HydrophobicContact CB-CZ 4.1Å; R932-F961 HydrophobicContact CG-CE1 4.13Å; R932-F961 HydrophobicContact CG-CZ 4.06Å; S934-F961 VanDerWaalsContact OG-CD1 3.28Å; S934-F961 WeakPolarHBondContact OG-CD1 3.29Å; A957-F961 WeakPolarHBondContact O-CB 3.04Å; A957-F961 PolarHBondContact O-N 2.87Å; L958-F961 WeakPolarHBondContact O-CB 3.44Å; L958-F961 PolarHBondContact O-N 3.07Å; F961-T963 PolarHBondContact O-N 3.49Å; F961-S964 PolarHBondContact O-OG 2.75Å; F961-G967 WeakPolarHBondContact CD2-O 3.45Å; F961-R968 WeakPolarHBondContact CA-O 3.08Å; F961-I969 HydrophobicContact CD2-CD1 4.21Å; F961-I969 HydrophobicContact CD2-CG1 3.5Å; F961-I969 HydrophobicContact CE2-CD1 4.18Å; F961-I969 HydrophobicContact CE2-CG1 3.97Å; F961-I969 HydrophobicContact CG-CG1 4.34Å
962	S	92.8	Very high	90.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-43	-176.9	73.2	0	0	0	0	112.7	T741 S769 R932 L958 L959	T741-S962 PolarHBondContact OG1-OG 2.98Å; S769-S962 PolarHBondContact OG-O 3.35Å; S769-S962 VanDerWaalsContact OG-O 3.12Å; R932-S962 PolarHBondContact NH1-O 2.57Å; R932-S962 VanDerWaalsContact NH1-O 3.08Å; L958-S962 WeakPolarHBondContact O-CB 3.28Å; L958-S962 PolarHBondContact O-N 3.38Å; L958-S962 PolarHBondContact O-OG 3.28Å; L959-S962 WeakPolarHBondContact CA-OG 3.48Å; L959-S962 PolarHBondContact O-OG 2.72Å
963	T	90	Very high	90.4	Very high	46 Å²	46	46.9 Å²	46.9	28%	0.282	23%	0.228	S	C	.	.	H	α-helix	trans	-88.9	-17.8	-173.3	59.2	0	0	0	0	114.9	S669 L959 F961	S669-T963 VanDerWaalsContact O-CG2 3.29Å; S669-T963 WeakPolarHBondContact O-CG2 3.49Å; L959-T963 WeakPolarHBondContact O-CB 3.48Å; L959-T963 VanDerWaalsContact O-CG2 3.3Å; L959-T963 WeakPolarHBondContact O-CG2 3.15Å; L959-T963 PolarHBondContact O-N 2.78Å; L959-T963 VanDerWaalsContact O-N 3.08Å; L959-T963 PolarHBondContact O-OG1 3.23Å; F961-T963 PolarHBondContact O-N 3.49Å
964	S	87.6	Confident	90.3	Very high	23 Å²	23	47.8 Å²	47.8	16%	0.161	24%	0.235	C	C	.	.	S	Bend	trans	-71.9	142.7	179.5	67.2	0	0	0	0	111.9	R932 Q960 F961 M966 G967 R968	R932-S964 PolarHBondContact NH1-O 3.11Å; R932-S964 PolarHBondContact NH2-O 3.03Å; Q960-S964 WeakPolarHBondContact O-CB 3.29Å; Q960-S964 PolarHBondContact O-N 2.96Å; Q960-S964 PolarHBondContact O-OG 3.4Å; F961-S964 PolarHBondContact O-OG 2.75Å; S964-M966 PolarHBondContact O-N 2.81Å; S964-M966 VanDerWaalsContact O-N 3.13Å; S964-G967 PolarHBondContact O-N 3.17Å; S964-G967 WeakPolarHBondContact OG-CA 3.28Å; S964-G967 PolarHBondContact OG-N 3.19Å; S964-R968 PolarHBondContact OG-N 3.07Å
965	S	79.1	Confident	90.2	Very high	82 Å²	82	53.4 Å²	53.4	57%	0.573	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.8	-179.9	56.1	0	0	0	0	114.6	R932	R932-S965 PolarHBondContact NH2-O 3.29Å
966	M	80.6	Confident	90	Very high	129 Å²	129	57.2 Å²	57.2	64%	0.635	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	9	-178.6	-59.7	-168.9	78.9	0	0	114.2	S964	S964-M966 PolarHBondContact O-N 2.81Å; S964-M966 VanDerWaalsContact O-N 3.13Å
967	G	83.3	Confident	89.9	Confident	8 Å²	8	57.5 Å²	57.5	8%	0.082	28%	0.28	C	S	.	.			trans	61.7	47.1	-173.9	0	0	0	0	0	112.5	F961 S964 I969	F961-G967 WeakPolarHBondContact CD2-O 3.45Å; S964-G967 PolarHBondContact O-N 3.17Å; S964-G967 WeakPolarHBondContact OG-CA 3.28Å; S964-G967 PolarHBondContact OG-N 3.19Å; G967-I969 PolarHBondContact O-N 2.75Å
968	R	86.6	Confident	89.9	Confident	179 Å²	179	60.5 Å²	60.5	68%	0.675	29%	0.293	S	S	*	.			trans	-64.8	115	178.3	-70.4	-173.3	-179.8	172.8	0.9	110.3	F961 S964	F961-R968 WeakPolarHBondContact CA-O 3.08Å; S964-R968 PolarHBondContact OG-N 3.07Å
969	I	88.1	Confident	89.7	Confident	31 Å²	31	62.6 Å²	62.6	16%	0.159	31%	0.305	C	S	.	.			trans	-94.5	132.2	172.4	-57.7	165.9	0	0	0	107.9	V859 L918 F961 G967 R971 L973 I974 M977	V859-I969 HydrophobicContact CB-CD1 4.32Å; V859-I969 HydrophobicContact CG1-CD1 4.44Å; V859-I969 HydrophobicContact CG2-CD1 4.21Å; L918-I969 HydrophobicContact CD1-CD1 3.64Å; L918-I969 HydrophobicContact CD1-CG1 3.88Å; L918-I969 HydrophobicContact CD1-CG2 4.36Å; F961-I969 HydrophobicContact CD2-CD1 4.21Å; F961-I969 HydrophobicContact CD2-CG1 3.5Å; F961-I969 HydrophobicContact CE2-CD1 4.18Å; F961-I969 HydrophobicContact CE2-CG1 3.97Å; F961-I969 HydrophobicContact CG-CG1 4.34Å; G967-I969 PolarHBondContact O-N 2.75Å; I969-R971 PolarHBondContact O-N 3.05Å; I969-L973 HydrophobicContact CG2-CB 3.96Å; I969-L973 HydrophobicContact CG2-CD2 3.91Å; I969-L973 HydrophobicContact CG2-CG 3.95Å; I969-I974 HydrophobicContact CB-CB 4.2Å; I969-I974 HydrophobicContact CD1-CD1 3.96Å; I969-I974 HydrophobicContact CG2-CB 3.89Å; I969-M977 HydrophobicContact CG2-SD 4.47Å
970	P	88.9	Confident	89.4	Confident	40 Å²	40	62.9 Å²	62.9	26%	0.26	31%	0.307	S	S	.	.			trans	-54.7	139.6	174.3	-28.7	37.7	0	0	0	112.2	A957 I972 L973 I974	A957-P970 HydrophobicContact CB-CG 3.69Å; P970-I972 VanDerWaalsContact C-N 3.26Å; P970-I972 PolarHBondContact O-N 2.78Å; P970-I972 VanDerWaalsContact O-N 3.14Å; P970-L973 WeakPolarHBondContact O-CB 3.33Å; P970-L973 PolarHBondContact O-N 3.34Å; P970-I974 PolarHBondContact O-N 3.41Å; P970-I974 VanDerWaalsContact O-N 3.08Å
971	R	90.2	Very high	88.9	Confident	187 Å²	187	65.7 Å²	65.7	71%	0.706	33%	0.325	S	S	*	.	H	α-helix	trans	-50.9	-43.3	-174	-174.7	174.3	172.1	-177.2	-3.6	113.6	I969 L973 I974 E975	I969-R971 PolarHBondContact O-N 3.05Å; R971-L973 PolarHBondContact O-N 3.34Å; R971-I974 WeakPolarHBondContact O-CG2 3.37Å; R971-I974 PolarHBondContact O-N 2.89Å; R971-E975 HydrophobicContact CG-CG 4.28Å; R971-E975 IonicContact CZ-OE1 2.76Å; R971-E975 IonicContact NE-OE1 2.75Å; R971-E975 PolarHBondContact NE-OE1 3.06Å; R971-E975 IonicContact NH2-OE1 3.95Å; R971-E975 PolarHBondContact NH2-OE1 3.09Å; R971-E975 WeakPolarHBondContact O-CB 3.4Å; R971-E975 VanDerWaalsContact O-CG 3.3Å; R971-E975 WeakPolarHBondContact O-CG 3.29Å; R971-E975 PolarHBondContact O-N 3.42Å; R971-E975 VanDerWaalsContact O-N 3.08Å
972	I	87.6	Confident	88.5	Confident	92 Å²	92	69.1 Å²	69.1	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-34	-177.7	-54	172.5	0	0	0	111.4	I830 P970	I830-I972 HydrophobicContact CG2-CG2 3.85Å; P970-I972 VanDerWaalsContact C-N 3.26Å; P970-I972 PolarHBondContact O-N 2.78Å; P970-I972 VanDerWaalsContact O-N 3.14Å
973	L	90.8	Very high	88	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.016	37%	0.371	C	S	.	.	H	α-helix	trans	-78.9	-49.7	179.2	-178.2	60.7	0	0	0	110.5	I830 L861 L916 L954 A957 I969 P970 R971 E975 Q976 M977	I830-L973 HydrophobicContact CD1-CD1 3.74Å; I830-L973 HydrophobicContact CG2-CD1 4.45Å; L861-L973 HydrophobicContact CD2-CD1 4.31Å; L916-L973 HydrophobicContact CD2-CD1 4.2Å; L916-L973 HydrophobicContact CD2-CD2 4.32Å; L954-L973 HydrophobicContact CD1-CD1 4.42Å; L954-L973 HydrophobicContact CD1-CD2 4.26Å; A957-L973 HydrophobicContact CB-CD2 4.19Å; I969-L973 HydrophobicContact CG2-CB 3.96Å; I969-L973 HydrophobicContact CG2-CD2 3.91Å; I969-L973 HydrophobicContact CG2-CG 3.95Å; P970-L973 WeakPolarHBondContact O-CB 3.33Å; P970-L973 PolarHBondContact O-N 3.34Å; R971-L973 PolarHBondContact O-N 3.34Å; L973-E975 VanDerWaalsContact C-N 3.29Å; L973-E975 PolarHBondContact O-N 3.39Å; L973-Q976 PolarHBondContact O-N 3.13Å; L973-Q976 VanDerWaalsContact O-N 3.14Å; L973-M977 HydrophobicContact CD1-SD 4.27Å; L973-M977 HydrophobicContact CG-SD 3.87Å; L973-M977 WeakPolarHBondContact O-CG 3.38Å
974	I	90.6	Very high	87.9	Confident	59 Å²	59	74.3 Å²	74.3	30%	0.303	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-32.1	-177.7	-172.1	60.7	0	0	0	113.3	V859 I969 P970 R971 Q976 M977	V859-I974 HydrophobicContact CG1-CD1 3.58Å; V859-I974 HydrophobicContact CG2-CD1 4.21Å; I969-I974 HydrophobicContact CB-CB 4.2Å; I969-I974 HydrophobicContact CD1-CD1 3.96Å; I969-I974 HydrophobicContact CG2-CB 3.89Å; P970-I974 PolarHBondContact O-N 3.41Å; P970-I974 VanDerWaalsContact O-N 3.08Å; R971-I974 WeakPolarHBondContact O-CG2 3.37Å; R971-I974 PolarHBondContact O-N 2.89Å; I974-Q976 PolarHBondContact O-N 3.41Å; I974-M977 PolarHBondContact O-N 3.46Å; I974-M977 VanDerWaalsContact O-N 3.15Å
975	E	90.9	Very high	88.1	Confident	119 Å²	119	74.4 Å²	74.4	56%	0.556	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.5	178	-80.3	176.1	171.7	0	0	113.6	R971 L973	R971-E975 HydrophobicContact CG-CG 4.28Å; R971-E975 IonicContact CZ-OE1 2.76Å; R971-E975 IonicContact NE-OE1 2.75Å; R971-E975 PolarHBondContact NE-OE1 3.06Å; R971-E975 IonicContact NH2-OE1 3.95Å; R971-E975 PolarHBondContact NH2-OE1 3.09Å; R971-E975 WeakPolarHBondContact O-CB 3.4Å; R971-E975 VanDerWaalsContact O-CG 3.3Å; R971-E975 WeakPolarHBondContact O-CG 3.29Å; R971-E975 PolarHBondContact O-N 3.42Å; R971-E975 VanDerWaalsContact O-N 3.08Å; L973-E975 VanDerWaalsContact C-N 3.29Å; L973-E975 PolarHBondContact O-N 3.39Å
976	Q	91.3	Very high	88.7	Confident	80 Å²	80	74.9 Å²	74.9	37%	0.374	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-3.8	178.2	-64.5	-169.1	-24.7	0	0	113.5	V829 I830 L861 L973 I974	V829-Q976 PolarHBondContact O-NE2 3.47Å; V829-Q976 PolarHBondContact O-OE1 2.76Å; I830-Q976 VanDerWaalsContact CA-OE1 3.25Å; I830-Q976 VanDerWaalsContact CG1-OE1 3.26Å; L861-Q976 HydrophobicContact CD1-CB 3.79Å; L861-Q976 WeakPolarHBondContact CD1-O 3.3Å; L973-Q976 PolarHBondContact O-N 3.13Å; L973-Q976 VanDerWaalsContact O-N 3.14Å; I974-Q976 PolarHBondContact O-N 3.41Å
977	M	94.5	Very high	89.3	Confident	20 Å²	20	70.1 Å²	70.1	10%	0.099	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	156.1	-179	-59.6	176.4	87.3	0	0	111.4	V859 L860 L861 L916 L918 I969 L973 I974	V859-M977 HydrophobicContact CB-CE 4.1Å; V859-M977 HydrophobicContact CG1-CB 3.24Å; V859-M977 HydrophobicContact CG1-CE 3.62Å; V859-M977 HydrophobicContact CG1-CG 3.98Å; V859-M977 HydrophobicContact CG1-SD 3.59Å; V859-M977 VanDerWaalsContact CG1-SD 3.59Å; V859-M977 VanDerWaalsContact O-CE 3.3Å; V859-M977 WeakPolarHBondContact O-CE 3.49Å; L860-M977 CarbonylContact O-C 3.57Å; L860-M977 WeakPolarHBondContact O-CA 3.45Å; L860-M977 VanDerWaalsContact O-CB 3.3Å; L860-M977 WeakPolarHBondContact O-CB 3.37Å; L861-M977 HydrophobicContact CB-CE 4.25Å; L861-M977 HydrophobicContact CB-CG 3.99Å; L861-M977 HydrophobicContact CD1-CG 3.98Å; L916-M977 HydrophobicContact CD2-CE 4.08Å; L916-M977 HydrophobicContact CG-CE 4.3Å; L918-M977 HydrophobicContact CB-CE 4.37Å; L918-M977 HydrophobicContact CD1-CE 3.66Å; L918-M977 HydrophobicContact CD1-SD 3.98Å; L918-M977 HydrophobicContact CG-CE 3.7Å; I969-M977 HydrophobicContact CG2-SD 4.47Å; L973-M977 HydrophobicContact CD1-SD 4.27Å; L973-M977 HydrophobicContact CG-SD 3.87Å; L973-M977 WeakPolarHBondContact O-CG 3.38Å; I974-M977 PolarHBondContact O-N 3.46Å; I974-M977 VanDerWaalsContact O-N 3.15Å
978	F	94	Very high	89.6	Confident	70 Å²	70	75.1 Å²	75.1	31%	0.307	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.2	176.4	70.7	-79.1	0	0	0	110.8	V859 L860 K862	V859-F978 WeakPolarHBondContact CA-O 3.45Å; L860-F978 HydrophobicContact CB-CD1 4.2Å; L860-F978 HydrophobicContact CB-CE1 3.58Å; L860-F978 HydrophobicContact CB-CE2 4.2Å; L860-F978 HydrophobicContact CB-CZ 3.58Å; L860-F978 HydrophobicContact CD1-CE2 4.09Å; L860-F978 HydrophobicContact CD1-CZ 3.81Å; L860-F978 HydrophobicContact CG-CZ 4.3Å; L860-F978 PolarHBondContact N-O 2.91Å; L860-F978 WeakPolarHBondContact O-CD1 3.29Å; L860-F978 WeakPolarHBondContact O-CE1 3.48Å; L860-F978 PolarHBondContact O-N 3.26Å; K862-F978 HydrophobicContact CD-CE1 3.77Å; K862-F978 HydrophobicContact CD-CZ 4.15Å; K862-F978 HydrophobicContact CG-CE1 3.79Å; K862-F978 HydrophobicContact CG-CZ 4.43Å
979	T	91.5	Very high	89.7	Confident	44 Å²	44	71 Å²	71	27%	0.27	37%	0.372	S	S	.	.			trans	-97.5	126.1	169.8	-67.9	0	0	0	0	108	R857 T858	R857-T979 HydrophobicContact CG-CG2 4.47Å; R857-T979 PolarHBondContact NE-OG1 2.97Å; R857-T979 PolarHBondContact NH2-OG1 3.18Å; T858-T979 WeakPolarHBondContact O-CG2 3.43Å; T858-T979 PolarHBondContact O-OG1 3.39Å; T858-T979 VanDerWaalsContact O-OG1 3.06Å
980	P	89.7	Confident	89.8	Confident	6 Å²	6	70 Å²	70	4%	0.039	37%	0.367	C	S	.	.			trans	-67	151.1	175.6	26.2	-30.9	0	0	0	111	N848 T858 L860 W985	N848-P980 HydrophobicContact CB-CG 4.03Å; N848-P980 PolarHBondContact ND2-O 3.21Å; T858-P980 HydrophobicContact CG2-CG 4Å; L860-P980 HydrophobicContact CD1-CG 4.12Å; P980-W985 HydrophobicContact CB-CB 3.81Å; P980-W985 HydrophobicContact CB-CG 4.12Å; P980-W985 HydrophobicContact CG-CB 4Å
981	N	84.7	Confident	90	Very high	158 Å²	158	72 Å²	72	85%	0.845	38%	0.379	S	S	*	.	S	Bend	trans	-91.7	-15.6	178.1	-67.1	-13.8	0	0	0	112.9
982	T	84.8	Confident	90.1	Very high	75 Å²	75	64.9 Å²	64.9	46%	0.46	36%	0.36	S	S	.	.	S	Bend	trans	-85	158.1	179.5	54.6	0	0	0	0	111.1	N848 V984	N848-T982 WeakPolarHBondContact CB-O 3.31Å; N848-T982 PolarHBondContact ND2-O 3.45Å; T982-V984 VanDerWaalsContact C-N 3.32Å; T982-V984 VanDerWaalsContact CB-O 3.29Å; T982-V984 WeakPolarHBondContact CB-O 3.47Å; T982-V984 PolarHBondContact OG1-O 2.91Å
983	E	84.3	Confident	90.3	Very high	110 Å²	110	61 Å²	61	51%	0.514	34%	0.34	S	S	.	.	S	Bend	trans	-65.4	-39.1	176	-52.7	-162.8	136.8	0	0	112.2	N848 R849	N848-E983 WeakPolarHBondContact CA-O 3.41Å; N848-E983 VanDerWaalsContact CB-O 3.27Å; N848-E983 WeakPolarHBondContact CB-O 3.37Å; N848-E983 PolarHBondContact N-O 3.27Å; R849-E983 HydrophobicContact CG-CB 4.38Å; R849-E983 HydrophobicContact CG-CG 4.49Å; R849-E983 IonicContact CZ-OE1 3.2Å; R849-E983 IonicContact NE-OE1 4Å; R849-E983 IonicContact NH1-OE1 3.76Å; R849-E983 PolarHBondContact NH1-OE1 3.14Å
984	V	87.4	Confident	90.2	Very high	45 Å²	45	66.3 Å²	66.3	27%	0.273	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.4	171.8	-175.4	0	0	0	0	106	K845 L847 T982 I986	K845-V984 HydrophobicContact CD-CG1 4.21Å; K845-V984 HydrophobicContact CG-CG1 3.64Å; L847-V984 HydrophobicContact CD1-CG2 3.72Å; T982-V984 VanDerWaalsContact C-N 3.32Å; T982-V984 VanDerWaalsContact CB-O 3.29Å; T982-V984 WeakPolarHBondContact CB-O 3.47Å; T982-V984 PolarHBondContact OG1-O 2.91Å; V984-I986 HydrophobicContact CB-CG1 4.46Å; V984-I986 HydrophobicContact CG1-CD1 4.09Å; V984-I986 HydrophobicContact CG1-CG1 3.74Å
985	W	91.2	Very high	90	Very high	25 Å²	25	65 Å²	65	10%	0.095	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.1	168.6	177.8	80	0	0	0	108.5	L843 K845 F846 L860 T914 P980 D987	L843-W985 HydrophobicContact CB-CZ3 4.01Å; L843-W985 WeakPolarHBondContact O-CH2 3.43Å; L843-W985 WeakPolarHBondContact O-CZ3 3.4Å; K845-W985 CarbonylContact C-O 3.39Å; K845-W985 WeakPolarHBondContact CA-O 3.22Å; F846-W985 HydrophobicContact CB-CE3 4.05Å; F846-W985 PolarHBondContact N-O 3.13Å; F846-W985 PolarHBondContact O-N 3.19Å; L860-W985 HydrophobicContact CD1-CB 3.97Å; L860-W985 HydrophobicContact CD1-CD2 3.39Å; L860-W985 HydrophobicContact CD1-CE3 3.7Å; L860-W985 HydrophobicContact CD1-CG 3.49Å; L860-W985 VanDerWaalsContact CD1-CG 3.49Å; L860-W985 HydrophobicContact CD1-CZ3 4.44Å; T914-W985 VanDerWaalsContact CB-CH2 3.41Å; T914-W985 HydrophobicContact CG2-CH2 4.12Å; T914-W985 HydrophobicContact CG2-CZ3 4.26Å; T914-W985 WeakPolarHBondContact OG1-CH2 3.3Å; T914-W985 WeakPolarHBondContact OG1-CZ2 3.4Å; P980-W985 HydrophobicContact CB-CB 3.81Å; P980-W985 HydrophobicContact CB-CG 4.12Å; P980-W985 HydrophobicContact CG-CB 4Å; W985-D987 HydrophobicContact CH2-CB 3.78Å; W985-D987 HydrophobicContact CZ2-CB 3.94Å
986	I	92.8	Very high	89.7	Confident	92 Å²	92	60.1 Å²	60.1	47%	0.472	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.4	-179.9	-56.8	177.1	0	0	0	107.7	R844 K845 V984	R844-I986 CarbonylContact O-C 3.56Å; R844-I986 VanDerWaalsContact O-CA 3.31Å; R844-I986 WeakPolarHBondContact O-CA 3.48Å; K845-I986 HydrophobicContact CG-CG1 4.22Å; V984-I986 HydrophobicContact CB-CG1 4.46Å; V984-I986 HydrophobicContact CG1-CD1 4.09Å; V984-I986 HydrophobicContact CG1-CG1 3.74Å
987	D	92.1	Very high	89.2	Confident	29 Å²	29	63.1 Å²	63.1	16%	0.155	35%	0.351	C	S	.	.			trans	-93.9	101.9	164	-162.9	-31.7	0	0	0	109.3	R844 W985 S989 L990	R844-D987 PolarHBondContact O-N 3.3Å; W985-D987 HydrophobicContact CH2-CB 3.78Å; W985-D987 HydrophobicContact CZ2-CB 3.94Å; D987-S989 PolarHBondContact O-N 2.93Å; D987-S989 WeakPolarHBondContact OD1-CB 3.37Å; D987-S989 PolarHBondContact OD1-N 2.89Å; D987-S989 PolarHBondContact OD1-OG 3.1Å; D987-L990 HydrophobicContact CB-CD1 4.02Å; D987-L990 HydrophobicContact CB-CG 4.24Å; D987-L990 PolarHBondContact O-N 2.87Å
988	S	89.4	Confident	88.3	Confident	114 Å²	114	66.9 Å²	66.9	80%	0.797	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.3	-179.7	57.5	0	0	0	0	113.7	L990	S988-L990 VanDerWaalsContact C-N 3.31Å
989	S	89.4	Confident	87.7	Confident	91 Å²	91	63.7 Å²	63.7	64%	0.636	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.3	176	72	0	0	0	0	112.7	D987	D987-S989 PolarHBondContact O-N 2.93Å; D987-S989 WeakPolarHBondContact OD1-CB 3.37Å; D987-S989 PolarHBondContact OD1-N 2.89Å; D987-S989 PolarHBondContact OD1-OG 3.1Å
990	L	90.6	Very high	87.2	Confident	11 Å²	11	65.2 Å²	65.2	6%	0.058	36%	0.362	C	S	.	.	S	Bend	trans	-94.8	141.6	-178.6	-60.3	176.4	0	0	0	111.7	S822 F824 S842 R844 D987 S988	S822-L990 WeakPolarHBondContact OG-CD2 3.45Å; F824-L990 HydrophobicContact CE2-CD2 4.49Å; F824-L990 HydrophobicContact CZ-CD2 4.15Å; S842-L990 WeakPolarHBondContact OG-CD1 3.49Å; R844-L990 HydrophobicContact CB-CB 4.2Å; R844-L990 HydrophobicContact CB-CD1 4.37Å; R844-L990 WeakPolarHBondContact CD-O 3.28Å; R844-L990 HydrophobicContact CG-CB 4.1Å; R844-L990 PolarHBondContact NE-O 3.06Å; D987-L990 HydrophobicContact CB-CD1 4.02Å; D987-L990 HydrophobicContact CB-CG 4.24Å; D987-L990 PolarHBondContact O-N 2.87Å; S988-L990 VanDerWaalsContact C-N 3.31Å
991	T	92.4	Very high	87	Confident	83 Å²	83	65.1 Å²	65.1	51%	0.509	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-96.7	149	173.2	32.9	0	0	0	0	111.1	G820 D821	G820-T991 CarbonylContact C-O 3.6Å; G820-T991 WeakPolarHBondContact CA-O 3.16Å; D821-T991 PolarHBondContact N-O 3.34Å; D821-T991 PolarHBondContact OD1-OG1 2.65Å; D821-T991 WeakPolarHBondContact OD2-CB 3.05Å; D821-T991 PolarHBondContact OD2-OG1 3.07Å
992	A	91.5	Very high	87	Confident	37 Å²	37	57.8 Å²	57.8	31%	0.306	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-75.6	137	175.8	0	0	0	0	0	109.5	E818 L994	E818-A992 WeakPolarHBondContact OE1-CB 3.23Å; A992-L994 PolarHBondContact O-N 3.15Å
993	P	92	Very high	86.8	Confident	10 Å²	10	57.5 Å²	57.5	7%	0.065	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-64.7	136.4	176.4	27.8	-34	0	0	0	110.4	Y777 L805 P806 N809 F819 D821	Y777-P993 HydrophobicContact CD1-CB 3.9Å; L805-P993 HydrophobicContact CB-CB 4.2Å; L805-P993 HydrophobicContact CB-CG 3.67Å; P806-P993 HydrophobicContact CG-CB 4.06Å; P806-P993 HydrophobicContact CG-CG 4.43Å; N809-P993 WeakPolarHBondContact ND2-CD 3.5Å; N809-P993 WeakPolarHBondContact ND2-CG 3.27Å; F819-P993 WeakPolarHBondContact O-CD 3.2Å; D821-P993 HydrophobicContact CB-CB 3.97Å
994	L	88.8	Confident	86.5	Confident	114 Å²	114	55.8 Å²	55.8	60%	0.597	31%	0.307	S	S	*	.			trans	-109.5	137.7	178	-63.3	176.4	0	0	0	109.4	Y777 T779 A992 A996	Y777-L994 VanDerWaalsContact CE1-O 3.29Å; Y777-L994 WeakPolarHBondContact CE1-O 3.36Å; T779-L994 WeakPolarHBondContact CG2-O 3.48Å; A992-L994 PolarHBondContact O-N 3.15Å; L994-A996 PolarHBondContact O-N 3.05Å
995	R	87.8	Confident	86.5	Confident	33 Å²	33	53.9 Å²	53.9	13%	0.125	30%	0.296	C	S	.	.			trans	-54.7	134.4	174.5	-69.3	-173.3	177.6	98.8	-6.1	111.2	E750 P806 E810 K997 L1014 S1020	E750-R995 IonicContact OE1-CZ 3.96Å; E750-R995 IonicContact OE1-NE 3.91Å; E750-R995 PolarHBondContact OE1-NE 2.91Å; E750-R995 IonicContact OE1-NH2 3.86Å; E750-R995 IonicContact OE2-CZ 3.35Å; E750-R995 IonicContact OE2-NE 3.2Å; E750-R995 PolarHBondContact OE2-NE 2.77Å; E750-R995 IonicContact OE2-NH2 3.72Å; E750-R995 PolarHBondContact OE2-NH2 3.05Å; P806-R995 HydrophobicContact CB-CG 3.57Å; P806-R995 HydrophobicContact CG-CG 4.07Å; E810-R995 IonicContact OE1-CZ 3.21Å; E810-R995 IonicContact OE1-NH1 3.66Å; E810-R995 PolarHBondContact OE1-NH1 2.89Å; E810-R995 IonicContact OE1-NH2 3.39Å; E810-R995 PolarHBondContact OE1-NH2 3.38Å; E810-R995 VanDerWaalsContact OE1-NH2 3.07Å; E810-R995 IonicContact OE2-CZ 3.62Å; E810-R995 IonicContact OE2-NH1 2.62Å; E810-R995 IonicContact OE2-NH2 3.39Å; E810-R995 PolarHBondContact OE2-NH2 3.13Å; R995-K997 PolarHBondContact O-N 2.68Å; R995-L1014 HydrophobicContact CB-CD2 4.15Å; R995-L1014 HydrophobicContact CG-CD2 4.48Å; R995-S1020 PolarHBondContact NH1-O 2.91Å
996	A	84.1	Confident	86.2	Confident	16 Å²	16	55.5 Å²	55.5	13%	0.132	31%	0.306	C	S	.	.			trans	-65.1	117.8	178.1	0	0	0	0	0	111.3	Y777 T779 M782 L994 N998 S999	Y777-A996 PolarHBondContact OH-N 3.02Å; Y777-A996 VanDerWaalsContact OH-N 3.07Å; T779-A996 HydrophobicContact CG2-CB 4.22Å; M782-A996 HydrophobicContact CE-CB 4.01Å; L994-A996 PolarHBondContact O-N 3.05Å; A996-N998 PolarHBondContact O-N 3.12Å; A996-N998 VanDerWaalsContact O-N 3.11Å; A996-S999 WeakPolarHBondContact O-CB 3.35Å; A996-S999 PolarHBondContact O-N 3.12Å; A996-S999 VanDerWaalsContact O-N 3.1Å
997	K	79.5	Confident	86.1	Confident	142 Å²	142	51.1 Å²	51.1	62%	0.617	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.2	-176.5	-66.5	-176.6	179	-177.7	0	114	R995 L1014 S1015	R995-K997 PolarHBondContact O-N 2.68Å; K997-L1014 CarbonylContact O-C 3.48Å; K997-S1015 WeakPolarHBondContact O-CA 3.5Å; K997-S1015 WeakPolarHBondContact O-CB 3.48Å; K997-S1015 PolarHBondContact O-N 3.08Å
998	N	75.5	Confident	85.9	Confident	100 Å²	100	49.8 Å²	49.8	54%	0.535	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	10.3	-177.2	-63.8	-13	0	0	0	113.5	A996 Q1000	A996-N998 PolarHBondContact O-N 3.12Å; A996-N998 VanDerWaalsContact O-N 3.11Å; N998-Q1000 PolarHBondContact O-NE2 3.27Å
999	S	82.4	Confident	85.9	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	26%	0.255	C	S	.	.			trans	-57.6	139.8	178.9	173.8	0	0	0	0	111.1	D799 A996 L1001	D799-S999 WeakPolarHBondContact O-CB 3.27Å; D799-S999 PolarHBondContact O-OG 3.01Å; A996-S999 WeakPolarHBondContact O-CB 3.35Å; A996-S999 PolarHBondContact O-N 3.12Å; A996-S999 VanDerWaalsContact O-N 3.1Å; S999-L1001 VanDerWaalsContact OG-CB 3.31Å; S999-L1001 WeakPolarHBondContact OG-CB 3.39Å; S999-L1001 PolarHBondContact OG-N 2.72Å; S999-L1001 VanDerWaalsContact OG-N 3.1Å
1000	Q	81.5	Confident	85.6	Confident	75 Å²	75	50.1 Å²	50.1	35%	0.35	25%	0.25	S	C	.	.			trans	-101.8	18.8	172.6	-57	-63.5	-66.6	0	0	111.8	D799 N998 N1002 L1003	D799-Q1000 WeakPolarHBondContact OD1-CA 3.41Å; D799-Q1000 WeakPolarHBondContact OD1-CB 3.32Å; D799-Q1000 PolarHBondContact OD1-N 3.25Å; N998-Q1000 PolarHBondContact O-NE2 3.27Å; Q1000-N1002 WeakPolarHBondContact CA-OD1 3.18Å; Q1000-N1002 PolarHBondContact O-N 3.43Å; Q1000-N1002 PolarHBondContact O-OD1 3.1Å; Q1000-L1003 HydrophobicContact CB-CD1 3.93Å; Q1000-L1003 HydrophobicContact CB-CG 4.21Å; Q1000-L1003 HydrophobicContact CG-CD1 4.42Å; Q1000-L1003 WeakPolarHBondContact O-CB 3.41Å; Q1000-L1003 PolarHBondContact O-N 2.05Å
1001	L	85	Confident	85.1	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-51.9	-34	-179.4	-175.6	63.6	0	0	0	112.3	I680 S999 L1003 Y1004 S1005	I680-L1001 HydrophobicContact CD1-CD1 4.13Å; S999-L1001 VanDerWaalsContact OG-CB 3.31Å; S999-L1001 WeakPolarHBondContact OG-CB 3.39Å; S999-L1001 PolarHBondContact OG-N 2.72Å; S999-L1001 VanDerWaalsContact OG-N 3.1Å; L1001-L1003 PolarHBondContact O-N 2.84Å; L1001-L1003 VanDerWaalsContact O-N 3.13Å; L1001-Y1004 PolarHBondContact O-N 3.15Å; L1001-S1005 VanDerWaalsContact O-CB 3.27Å; L1001-S1005 WeakPolarHBondContact O-CB 3.18Å; L1001-S1005 PolarHBondContact O-N 3.02Å
1002	N	85.7	Confident	84.2	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.027	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57	-25.5	175.1	64.9	-63	0	0	0	114.7	Q1000 Y1004 I1008 K1010 W1012 L1014	Q1000-N1002 WeakPolarHBondContact CA-OD1 3.18Å; Q1000-N1002 PolarHBondContact O-N 3.43Å; Q1000-N1002 PolarHBondContact O-OD1 3.1Å; N1002-Y1004 VanDerWaalsContact C-N 3.26Å; N1002-Y1004 PolarHBondContact O-N 2.52Å; N1002-I1008 HydrophobicContact CB-CB 4.27Å; N1002-I1008 HydrophobicContact CB-CG2 3.76Å; N1002-K1010 PolarHBondContact ND2-O 2.9Å; N1002-K1010 WeakPolarHBondContact O-CA 3.46Å; N1002-W1012 WeakPolarHBondContact CB-O 3.34Å; N1002-W1012 PolarHBondContact ND2-O 2.84Å; N1002-W1012 VanDerWaalsContact ND2-O 3.14Å; N1002-L1014 HydrophobicContact CB-CD1 4.22Å
1003	L	80.5	Confident	83.1	Confident	69 Å²	69	56.7 Å²	56.7	36%	0.361	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-71.1	-26.2	177.3	-62.4	-175.6	0	0	0	112.5	Q1000 L1001	Q1000-L1003 HydrophobicContact CB-CD1 3.93Å; Q1000-L1003 HydrophobicContact CB-CG 4.21Å; Q1000-L1003 HydrophobicContact CG-CD1 4.42Å; Q1000-L1003 WeakPolarHBondContact O-CB 3.41Å; Q1000-L1003 PolarHBondContact O-N 2.05Å; L1001-L1003 PolarHBondContact O-N 2.84Å; L1001-L1003 VanDerWaalsContact O-N 3.13Å
1004	Y	77.2	Confident	81.9	Confident	73 Å²	73	56.7 Å²	56.7	29%	0.286	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-15.2	-172	-47.1	-55.1	0	0	0	113	S684 L1001 N1002	S684-Y1004 VanDerWaalsContact CB-CD1 3.42Å; S684-Y1004 WeakPolarHBondContact O-CE1 3.16Å; S684-Y1004 PolarHBondContact O-OH 3.13Å; S684-Y1004 WeakPolarHBondContact OG-CB 3.41Å; S684-Y1004 WeakPolarHBondContact OG-CD1 3.25Å; L1001-Y1004 PolarHBondContact O-N 3.15Å; N1002-Y1004 VanDerWaalsContact C-N 3.26Å; N1002-Y1004 PolarHBondContact O-N 2.52Å
1005	S	86.6	Confident	80.4	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.042	26%	0.26	C	S	.	.			trans	-66.5	140.1	-175.7	178.9	0	0	0	0	113.1	E749 L1001 V1007 I1008	E749-S1005 WeakPolarHBondContact OE1-CB 3.47Å; E749-S1005 PolarHBondContact OE1-OG 3.18Å; E749-S1005 WeakPolarHBondContact OE2-CA 3.43Å; E749-S1005 WeakPolarHBondContact OE2-CB 3.38Å; E749-S1005 PolarHBondContact OE2-OG 2.95Å; L1001-S1005 VanDerWaalsContact O-CB 3.27Å; L1001-S1005 WeakPolarHBondContact O-CB 3.18Å; L1001-S1005 PolarHBondContact O-N 3.02Å; S1005-V1007 VanDerWaalsContact C-N 3.3Å; S1005-V1007 PolarHBondContact OG-N 2.92Å; S1005-I1008 PolarHBondContact OG-N 3.08Å
1006	N	85.5	Confident	78.9	Confident	59 Å²	59	57.6 Å²	57.6	32%	0.316	29%	0.285	S	S	.	.	S	Bend	trans	-80.8	-14	168.1	-75.6	-37.9	0	0	0	112.7	F677 H681 E749	F677-N1006 HydrophobicContact CE2-CB 4.27Å; F677-N1006 HydrophobicContact CZ-CB 3.94Å; H681-N1006 PolarHBondContact NE2-ND2 2.64Å; E749-N1006 PolarHBondContact OE2-N 3.21Å
1007	V	90.3	Very high	77.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-110.5	-44.6	-168.5	175.7	0	0	0	0	111.2	F677 E749 E750 F752 S1005 Y1027 Y1028	F677-V1007 HydrophobicContact CE1-CG2 3.95Å; E749-V1007 HydrophobicContact CG-CB 4.37Å; E749-V1007 HydrophobicContact CG-CG2 3.78Å; E750-V1007 HydrophobicContact CB-CB 4.26Å; E750-V1007 HydrophobicContact CB-CG1 3.92Å; E750-V1007 VanDerWaalsContact O-CG2 3.3Å; E750-V1007 WeakPolarHBondContact O-CG2 3.43Å; F752-V1007 HydrophobicContact CD1-CG1 3.93Å; F752-V1007 HydrophobicContact CD2-CG1 4.13Å; F752-V1007 HydrophobicContact CD2-CG2 4.1Å; F752-V1007 HydrophobicContact CE1-CB 4.43Å; F752-V1007 HydrophobicContact CE1-CG1 3.86Å; F752-V1007 HydrophobicContact CE2-CB 4.2Å; F752-V1007 HydrophobicContact CE2-CG1 4.1Å; F752-V1007 HydrophobicContact CE2-CG2 3.66Å; F752-V1007 HydrophobicContact CG-CG1 4.06Å; F752-V1007 HydrophobicContact CZ-CB 4.09Å; F752-V1007 HydrophobicContact CZ-CG1 3.97Å; F752-V1007 HydrophobicContact CZ-CG2 4.02Å; S1005-V1007 VanDerWaalsContact C-N 3.3Å; S1005-V1007 PolarHBondContact OG-N 2.92Å; V1007-Y1027 HydrophobicContact CG1-CD1 3.57Å; V1007-Y1027 HydrophobicContact CG1-CE1 3.92Å; V1007-Y1027 CarbonylContact O-C 3.56Å; V1007-Y1027 WeakPolarHBondContact O-CA 3.31Å; V1007-Y1028 PolarHBondContact O-N 2.84Å
1008	I	89.1	Confident	76.5	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-88.4	137.3	179.3	-46.7	174.5	0	0	0	110.6	E750 N1002 S1005 W1012 L1014 L1022 A1026 Y1028	E750-I1008 HydrophobicContact CB-CD1 4.45Å; E750-I1008 HydrophobicContact CB-CG1 4.2Å; E750-I1008 HydrophobicContact CG-CD1 3.52Å; E750-I1008 HydrophobicContact CG-CG1 3.8Å; N1002-I1008 HydrophobicContact CB-CB 4.27Å; N1002-I1008 HydrophobicContact CB-CG2 3.76Å; S1005-I1008 PolarHBondContact OG-N 3.08Å; I1008-W1012 HydrophobicContact CG2-CB 4.32Å; I1008-L1014 HydrophobicContact CD1-CD1 3.98Å; I1008-L1022 HydrophobicContact CD1-CD1 4.2Å; I1008-L1022 HydrophobicContact CG1-CD1 4.4Å; I1008-A1026 WeakPolarHBondContact CA-O 3.33Å; I1008-Y1028 WeakPolarHBondContact O-CD2 3.17Å; I1008-Y1028 WeakPolarHBondContact O-CE2 2.87Å
1009	R	87.8	Confident	75.8	Confident	90 Å²	90	59.2 Å²	59.2	34%	0.34	30%	0.301	S	S	.	.			trans	-64.8	134.4	172.1	-67.2	-176	-169.1	-177.9	8.3	111.7	E1011 W1012 E1025 A1026 Y1027 Y1028	R1009-E1011 PolarHBondContact O-N 3.06Å; R1009-E1011 VanDerWaalsContact O-N 3.08Å; R1009-W1012 PolarHBondContact O-N 3.39Å; R1009-E1025 WeakPolarHBondContact CD-O 3.25Å; R1009-E1025 PolarHBondContact NE-O 2.93Å; R1009-A1026 WeakPolarHBondContact CG-O 3.09Å; R1009-A1026 PolarHBondContact N-O 3.27Å; R1009-Y1027 PolarHBondContact NE-O 2.84Å; R1009-Y1027 PolarHBondContact NH2-O 3.07Å; R1009-Y1027 VanDerWaalsContact NH2-O 3.11Å; R1009-Y1028 HydrophobicContact CB-CE1 4.32Å; R1009-Y1028 HydrophobicContact CG-CD1 3.75Å; R1009-Y1028 HydrophobicContact CG-CE1 3.84Å; R1009-Y1028 HydrophobicContact CG-CG 4.09Å
1010	K	83.3	Confident	75.1	Confident	122 Å²	122	62.5 Å²	62.5	53%	0.53	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.6	176.6	-70.9	-179.4	179.9	-170.5	0	114.2	N1002 W1012 Y1028	N1002-K1010 PolarHBondContact ND2-O 2.9Å; N1002-K1010 WeakPolarHBondContact O-CA 3.46Å; K1010-W1012 VanDerWaalsContact C-N 3.27Å; K1010-W1012 PolarHBondContact O-N 3.44Å; K1010-Y1028 PolarHBondContact N-OH 3.46Å
1011	E	80.5	Confident	74.8	Confident	153 Å²	153	64.6 Å²	64.6	72%	0.715	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-14.9	-178.2	-54.4	81.1	-172.2	0	0	113.8	R1009	R1009-E1011 PolarHBondContact O-N 3.06Å; R1009-E1011 VanDerWaalsContact O-N 3.08Å
1012	W	73.6	Confident	74.7	Confident	81 Å²	81	65.2 Å²	65.2	31%	0.307	33%	0.333	S	S	.	.			trans	-95.1	103.9	-177.4	-84.4	84.8	0	0	0	111.5	N1002 I1008 R1009 K1010 P1023 E1025 A1026	N1002-W1012 WeakPolarHBondContact CB-O 3.34Å; N1002-W1012 PolarHBondContact ND2-O 2.84Å; N1002-W1012 VanDerWaalsContact ND2-O 3.14Å; I1008-W1012 HydrophobicContact CG2-CB 4.32Å; R1009-W1012 PolarHBondContact O-N 3.39Å; K1010-W1012 VanDerWaalsContact C-N 3.27Å; K1010-W1012 PolarHBondContact O-N 3.44Å; W1012-P1023 HydrophobicContact CE3-CG 4.23Å; W1012-P1023 HydrophobicContact CH2-CG 3.75Å; W1012-P1023 HydrophobicContact CZ3-CG 3.51Å; W1012-E1025 HydrophobicContact CH2-CB 4.32Å; W1012-E1025 HydrophobicContact CZ2-CB 3.56Å; W1012-E1025 PolarHBondContact NE1-O 3.14Å; W1012-E1025 VanDerWaalsContact NE1-O 3.13Å; W1012-A1026 HydrophobicContact CB-CB 4.31Å; W1012-A1026 HydrophobicContact CD2-CB 3.93Å; W1012-A1026 HydrophobicContact CE3-CB 4.06Å; W1012-A1026 HydrophobicContact CG-CB 4.05Å
1013	S	68.5	Low	74.7	Confident	35 Å²	35	66.8 Å²	66.8	25%	0.245	34%	0.343	C	S	.	.			trans	-77	135.8	170.1	-179	0	0	0	0	110.9	S1015 T1016	S1013-S1015 PolarHBondContact O-N 3.31Å; S1013-S1015 VanDerWaalsContact O-N 3.16Å; S1013-S1015 WeakPolarHBondContact OG-CB 2.77Å; S1013-S1015 PolarHBondContact OG-N 3.13Å; S1013-S1015 PolarHBondContact OG-OG 2.84Å; S1013-T1016 PolarHBondContact O-OG1 2.96Å
1014	L	66.1	Low	74.9	Confident	9 Å²	9	69.4 Å²	69.4	5%	0.047	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-65.1	-14.7	173.7	-81.7	80.3	0	0	0	112.7	R995 K997 N1002 I1008 T1016 L1017 L1022	R995-L1014 HydrophobicContact CB-CD2 4.15Å; R995-L1014 HydrophobicContact CG-CD2 4.48Å; K997-L1014 CarbonylContact O-C 3.48Å; N1002-L1014 HydrophobicContact CB-CD1 4.22Å; I1008-L1014 HydrophobicContact CD1-CD1 3.98Å; L1014-T1016 PolarHBondContact O-N 3.42Å; L1014-L1017 PolarHBondContact O-N 2.8Å; L1014-L1022 HydrophobicContact CG-CD2 4.42Å
1015	S	59.1	Low	75.3	Confident	64 Å²	64	70.9 Å²	70.9	45%	0.448	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-65.7	-20.8	-179.2	66	0	0	0	0	115.1	K997 S1013 L1017	K997-S1015 WeakPolarHBondContact O-CA 3.5Å; K997-S1015 WeakPolarHBondContact O-CB 3.48Å; K997-S1015 PolarHBondContact O-N 3.08Å; S1013-S1015 PolarHBondContact O-N 3.31Å; S1013-S1015 VanDerWaalsContact O-N 3.16Å; S1013-S1015 WeakPolarHBondContact OG-CB 2.77Å; S1013-S1015 PolarHBondContact OG-N 3.13Å; S1013-S1015 PolarHBondContact OG-OG 2.84Å; S1015-L1017 VanDerWaalsContact C-N 3.31Å; S1015-L1017 PolarHBondContact O-N 3.3Å
1016	T	55.6	Low	75.3	Confident	103 Å²	103	70.6 Å²	70.6	63%	0.632	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-85.1	0.9	-176.1	18.6	0	0	0	0	114.4	S1013 L1014	S1013-T1016 PolarHBondContact O-OG1 2.96Å; L1014-T1016 PolarHBondContact O-N 3.42Å
1017	L	57.3	Low	75.6	Confident	33 Å²	33	68.4 Å²	68.4	17%	0.173	35%	0.351	C	S	.	.			trans	-103.6	119.7	-171.5	-63.9	166	0	0	0	112.4	L1014 S1015 T1019 L1022 P1023	L1014-L1017 PolarHBondContact O-N 2.8Å; S1015-L1017 VanDerWaalsContact C-N 3.31Å; S1015-L1017 PolarHBondContact O-N 3.3Å; L1017-T1019 VanDerWaalsContact C-N 3.31Å; L1017-L1022 HydrophobicContact CD1-CD2 3.33Å; L1017-L1022 HydrophobicContact CD1-CG 4.38Å; L1017-P1023 HydrophobicContact CD2-CG 4.04Å
1018	N	55.4	Low	75.5	Confident	170 Å²	170	71.9 Å²	71.9	91%	0.909	37%	0.365	S	S	*	.			trans	-88.1	-1.3	164	-83.1	-13.4	0	0	0	112.1
1019	T	60	Low	75.4	Confident	88 Å²	88	76.3 Å²	76.3	54%	0.54	40%	0.396	S	S	.	.	S	Bend	trans	-99.9	149	-177.6	49.3	0	0	0	0	110.9	L1017 Y1021	L1017-T1019 VanDerWaalsContact C-N 3.31Å; T1019-Y1021 PolarHBondContact O-N 2.94Å; T1019-Y1021 PolarHBondContact OG1-O 2.77Å
1020	S	67.8	Low	75	Confident	72 Å²	72	74.8 Å²	74.8	50%	0.503	40%	0.396	S	S	.	.	S	Bend	trans	-66.6	-22.5	170.5	51.7	0	0	0	0	112.6	R995	R995-S1020 PolarHBondContact NH1-O 2.91Å
1021	Y	75.5	Confident	74.8	Confident	120 Å²	120	77.1 Å²	77.1	47%	0.471	41%	0.406	S	S	.	.	S	Bend	trans	-109	145.6	-176.9	-56.5	-85.9	0	0	0	112.4	E810 L813 T1019	E810-Y1021 VanDerWaalsContact CD-CD1 3.49Å; E810-Y1021 HydrophobicContact CG-CD1 3.9Å; E810-Y1021 HydrophobicContact CG-CE1 3.86Å; E810-Y1021 WeakPolarHBondContact OE1-CA 3.32Å; E810-Y1021 WeakPolarHBondContact OE1-CD1 3.28Å; L813-Y1021 HydrophobicContact CD2-CE1 4.18Å; T1019-Y1021 PolarHBondContact O-N 2.94Å; T1019-Y1021 PolarHBondContact OG1-O 2.77Å
1022	L	82.9	Confident	74.7	Confident	17 Å²	17	74.9 Å²	74.9	9%	0.089	41%	0.408	C	S	.	.			trans	-75.4	136	170.8	-71.9	164.2	0	0	0	110.6	E750 I1008 L1014 L1017 A1026 Y1027	E750-L1022 HydrophobicContact CG-CD1 3.87Å; I1008-L1022 HydrophobicContact CD1-CD1 4.2Å; I1008-L1022 HydrophobicContact CG1-CD1 4.4Å; L1014-L1022 HydrophobicContact CG-CD2 4.42Å; L1017-L1022 HydrophobicContact CD1-CD2 3.33Å; L1017-L1022 HydrophobicContact CD1-CG 4.38Å; L1022-A1026 HydrophobicContact CB-CB 4.44Å; L1022-A1026 HydrophobicContact CD2-CB 4.34Å; L1022-Y1027 HydrophobicContact CB-CE2 3.92Å
1023	P	85.4	Confident	75.2	Confident	37 Å²	37	73 Å²	73	24%	0.24	41%	0.407	C	S	.	.			trans	-71.3	154.9	175.9	32.1	-35.7	0	0	0	110.6	W1012 L1017 E1025 A1026 Y1027	W1012-P1023 HydrophobicContact CE3-CG 4.23Å; W1012-P1023 HydrophobicContact CH2-CG 3.75Å; W1012-P1023 HydrophobicContact CZ3-CG 3.51Å; L1017-P1023 HydrophobicContact CD2-CG 4.04Å; P1023-E1025 WeakPolarHBondContact CB-OE2 3.32Å; P1023-E1025 PolarHBondContact O-N 3Å; P1023-E1025 VanDerWaalsContact O-N 3.11Å; P1023-A1026 HydrophobicContact CG-CB 4.18Å; P1023-A1026 VanDerWaalsContact O-CB 3.24Å; P1023-A1026 WeakPolarHBondContact O-CB 3.43Å; P1023-A1026 PolarHBondContact O-N 2.78Å; P1023-Y1027 WeakPolarHBondContact O-CD2 3.17Å; P1023-Y1027 WeakPolarHBondContact O-CE2 2.81Å
1024	I	84.9	Confident	75.7	Confident	124 Å²	124	78 Å²	78	64%	0.636	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-62.5	-26.3	-173.1	-161.7	147.5	0	0	0	113.1	A1026 Y1027	I1024-A1026 PolarHBondContact O-N 3.05Å; I1024-Y1027 PolarHBondContact O-N 3.45Å
1025	E	86	Confident	76.2	Confident	105 Å²	105	84.3 Å²	84.3	49%	0.491	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-70.1	-19	177.1	-59.9	79.8	-174.1	0	0	113.5	R1009 W1012 P1023 Y1027	R1009-E1025 WeakPolarHBondContact CD-O 3.25Å; R1009-E1025 PolarHBondContact NE-O 2.93Å; W1012-E1025 HydrophobicContact CH2-CB 4.32Å; W1012-E1025 HydrophobicContact CZ2-CB 3.56Å; W1012-E1025 PolarHBondContact NE1-O 3.14Å; W1012-E1025 VanDerWaalsContact NE1-O 3.13Å; P1023-E1025 WeakPolarHBondContact CB-OE2 3.32Å; P1023-E1025 PolarHBondContact O-N 3Å; P1023-E1025 VanDerWaalsContact O-N 3.11Å; E1025-Y1027 VanDerWaalsContact C-N 3.26Å; E1025-Y1027 PolarHBondContact O-N 2.69Å
1026	A	86.9	Confident	77	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-71	-23.4	177.1	0	0	0	0	0	112.3	I1008 R1009 W1012 L1022 P1023 I1024	I1008-A1026 WeakPolarHBondContact CA-O 3.33Å; R1009-A1026 WeakPolarHBondContact CG-O 3.09Å; R1009-A1026 PolarHBondContact N-O 3.27Å; W1012-A1026 HydrophobicContact CB-CB 4.31Å; W1012-A1026 HydrophobicContact CD2-CB 3.93Å; W1012-A1026 HydrophobicContact CE3-CB 4.06Å; W1012-A1026 HydrophobicContact CG-CB 4.05Å; L1022-A1026 HydrophobicContact CB-CB 4.44Å; L1022-A1026 HydrophobicContact CD2-CB 4.34Å; P1023-A1026 HydrophobicContact CG-CB 4.18Å; P1023-A1026 VanDerWaalsContact O-CB 3.24Å; P1023-A1026 WeakPolarHBondContact O-CB 3.43Å; P1023-A1026 PolarHBondContact O-N 2.78Å; I1024-A1026 PolarHBondContact O-N 3.05Å
1027	Y	90.8	Very high	78.4	Confident	13 Å²	13	80.5 Å²	80.5	5%	0.051	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-85.5	143.2	-176.4	-60.5	-88.7	0	0	0	112.3	F751 F752 P753 V1007 R1009 L1022 P1023 I1024 E1025	F751-Y1027 WeakPolarHBondContact O-CE1 3.36Å; F752-Y1027 AromaticContact CD1-CD1 3.93Å; F752-Y1027 HydrophobicContact CD1-CD1 3.93Å; F752-Y1027 HydrophobicContact CD1-CG 4.34Å; F752-Y1027 HydrophobicContact CE1-CD1 4.37Å; P753-Y1027 HydrophobicContact CG-CD2 4.15Å; P753-Y1027 HydrophobicContact CG-CE1 4.38Å; P753-Y1027 HydrophobicContact CG-CE2 3.76Å; V1007-Y1027 HydrophobicContact CG1-CD1 3.57Å; V1007-Y1027 HydrophobicContact CG1-CE1 3.92Å; V1007-Y1027 CarbonylContact O-C 3.56Å; V1007-Y1027 WeakPolarHBondContact O-CA 3.31Å; R1009-Y1027 PolarHBondContact NE-O 2.84Å; R1009-Y1027 PolarHBondContact NH2-O 3.07Å; R1009-Y1027 VanDerWaalsContact NH2-O 3.11Å; L1022-Y1027 HydrophobicContact CB-CE2 3.92Å; P1023-Y1027 WeakPolarHBondContact O-CD2 3.17Å; P1023-Y1027 WeakPolarHBondContact O-CE2 2.81Å; I1024-Y1027 PolarHBondContact O-N 3.45Å; E1025-Y1027 VanDerWaalsContact C-N 3.26Å; E1025-Y1027 PolarHBondContact O-N 2.69Å
1028	Y	89.9	Confident	79.7	Confident	73 Å²	73	85.1 Å²	85.1	29%	0.286	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-59.3	154.7	163.3	-80	-61.6	0	0	0	110.4	F752 V1007 I1008 R1009 K1010 V1030	F752-Y1028 VanDerWaalsContact CE1-O 3.23Å; F752-Y1028 WeakPolarHBondContact CE1-O 3.5Å; V1007-Y1028 PolarHBondContact O-N 2.84Å; I1008-Y1028 WeakPolarHBondContact O-CD2 3.17Å; I1008-Y1028 WeakPolarHBondContact O-CE2 2.87Å; R1009-Y1028 HydrophobicContact CB-CE1 4.32Å; R1009-Y1028 HydrophobicContact CG-CD1 3.75Å; R1009-Y1028 HydrophobicContact CG-CE1 3.84Å; R1009-Y1028 HydrophobicContact CG-CG 4.09Å; K1010-Y1028 PolarHBondContact N-OH 3.46Å; Y1028-V1030 PolarHBondContact O-N 2.82Å
1029	S	86	Confident	81.2	Confident	94 Å²	94	77.3 Å²	77.3	66%	0.657	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-64.9	127.9	166.2	55.8	0	0	0	0	108.5	K1031	S1029-K1031 PolarHBondContact O-N 2.98Å; S1029-K1031 VanDerWaalsContact O-N 3.1Å
1030	V	80.5	Confident	82.7	Confident	58 Å²	58	76 Å²	76	35%	0.352	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-52.4	120.6	175	-178.5	0	0	0	0	108.4	T730 F752 Y1028	T730-V1030 HydrophobicContact CG2-CG1 4.42Å; F752-V1030 HydrophobicContact CB-CG2 4.35Å; F752-V1030 HydrophobicContact CD1-CG2 3.93Å; F752-V1030 HydrophobicContact CD2-CG2 4.33Å; F752-V1030 HydrophobicContact CE1-CG2 4.3Å; F752-V1030 HydrophobicContact CG-CG2 3.95Å; Y1028-V1030 PolarHBondContact O-N 2.82Å
1031	K	77.6	Confident	83.9	Confident	171 Å²	171	76.7 Å²	76.7	74%	0.743	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-72	140.8	177.5	-68.2	175.7	-176	165.9	0	107.6	S1029 C1033	S1029-K1031 PolarHBondContact O-N 2.98Å; S1029-K1031 VanDerWaalsContact O-N 3.1Å; K1031-C1033 PolarHBondContact O-N 3.08Å
1032	S	78.6	Confident	84.8	Confident	106 Å²	106	76 Å²	76	74%	0.741	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-54.2	140.8	169.5	57.1	0	0	0	0	110.1	Y1034	S1032-Y1034 PolarHBondContact O-N 2.96Å; S1032-Y1034 VanDerWaalsContact O-N 3.1Å
1033	C	84.4	Confident	85.1	Confident	42 Å²	42	80 Å²	80	28%	0.284	42%	0.423	S	S	.	.			trans	-45.7	120.9	173.4	-60.1	0	0	0	0	111	D732 C733 K1031 I1035	D732-C1033 PolarHBondContact OD2-SG 2.83Å; C733-C1033 WeakPolarHBondContact CA-SG 3.29Å; C733-C1033 HydrophobicContact CB-CB 3.78Å; C733-C1033 WeakPolarHBondContact CB-SG 3.47Å; C733-C1033 WeakPolarHBondContact SG-CA 3.32Å; C733-C1033 WeakPolarHBondContact SG-CB 2.96Å; C733-C1033 CovalentContact SG-SG 2.05Å; C733-C1033 PolarHBondContact SG-SG 2.77Å; K1031-C1033 PolarHBondContact O-N 3.08Å; C1033-I1035 PolarHBondContact O-N 2.74Å
1034	Y	78.6	Confident	85.3	Confident	138 Å²	138	80.2 Å²	80.2	54%	0.541	42%	0.422	S	S	.	.			trans	-68.6	102.7	-176.1	-178.6	-94.1	0	0	0	109.1	Y610 S1032 A1036	Y610-Y1034 HydrophobicContact CE1-CD1 4.06Å; Y610-Y1034 AromaticContact CE1-CE1 3.69Å; Y610-Y1034 HydrophobicContact CE1-CE1 3.69Å; Y610-Y1034 HydrophobicContact CE2-CE1 4.26Å; Y610-Y1034 AromaticContact CZ-CE1 3.53Å; Y610-Y1034 WeakPolarHBondContact OH-CE1 3.39Å; S1032-Y1034 PolarHBondContact O-N 2.96Å; S1032-Y1034 VanDerWaalsContact O-N 3.1Å; Y1034-A1036 HydrophobicContact CE1-CB 3.92Å
1035	I	77	Confident	85.3	Confident	142 Å²	142	79.9 Å²	79.9	73%	0.728	42%	0.422	S	S	*	.			trans	-93.6	109.9	169.4	-58.1	170.3	0	0	0	106	C1033	C1033-I1035 PolarHBondContact O-N 2.74Å
1036	A	75.8	Confident	85.4	Confident	9 Å²	9	76.3 Å²	76.3	7%	0.074	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-54	135	174.9	0	0	0	0	0	109.9	Y610 Y1034 K1038	Y610-A1036 HydrophobicContact CD1-CB 3.68Å; Y610-A1036 HydrophobicContact CD2-CB 3.37Å; Y610-A1036 HydrophobicContact CE1-CB 4.08Å; Y610-A1036 HydrophobicContact CE2-CB 3.83Å; Y610-A1036 HydrophobicContact CG-CB 3.32Å; Y1034-A1036 HydrophobicContact CE1-CB 3.92Å; A1036-K1038 PolarHBondContact O-N 2.69Å; A1036-K1038 VanDerWaalsContact O-N 3.1Å
1037	P	84.2	Confident	85.5	Confident	78 Å²	78	83.8 Å²	83.8	51%	0.506	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-53.9	122.7	175.5	-25.3	33.7	0	0	0	109.9	G593 T594 A1039	G593-P1037 WeakPolarHBondContact CA-O 3.35Å; T594-P1037 PolarHBondContact N-O 2.81Å; P1037-A1039 PolarHBondContact O-N 2.85Å
1038	K	84.9	Confident	85.3	Confident	131 Å²	131	84.2 Å²	84.2	57%	0.57	45%	0.45	S	S	*	.	B	Isolated β-bridge	trans	-57.8	127.2	177	-171.3	178.8	-179.6	-179.9	0	108.3	A1036	A1036-K1038 PolarHBondContact O-N 2.69Å; A1036-K1038 VanDerWaalsContact O-N 3.1Å
1039	A	87.6	Confident	85.1	Confident	5 Å²	5	84.5 Å²	84.5	4%	0.041	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-59.5	143.2	173.3	0	0	0	0	0	109.3	V592 T594 P1037 I1041	V592-A1039 VanDerWaalsContact O-CB 3.31Å; V592-A1039 WeakPolarHBondContact O-CB 3.39Å; V592-A1039 PolarHBondContact O-N 3.11Å; T594-A1039 HydrophobicContact CG2-CB 4.12Å; P1037-A1039 PolarHBondContact O-N 2.85Å; A1039-I1041 PolarHBondContact O-N 2.91Å
1040	S	91.4	Very high	85.1	Confident	62 Å²	62	85.3 Å²	85.3	43%	0.434	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	137.2	168.7	49.2	0	0	0	0	108.6	I578 Y579	I578-S1040 CarbonylContact C-O 3.36Å; I578-S1040 WeakPolarHBondContact CA-O 3.48Å; I578-S1040 WeakPolarHBondContact CG1-OG 3.34Å; I578-S1040 VanDerWaalsContact CG2-O 3.27Å; I578-S1040 WeakPolarHBondContact CG2-O 3.42Å; Y579-S1040 PolarHBondContact N-O 3.16Å
1041	I	93.2	Very high	85.3	Confident	86 Å²	86	85.8 Å²	85.8	44%	0.441	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.5	-176.5	-62.9	177.1	0	0	0	108.6	Y579 P581 A1039	Y579-I1041 HydrophobicContact CD1-CG1 4.45Å; Y579-I1041 WeakPolarHBondContact O-CA 3.11Å; P581-I1041 HydrophobicContact CG-CG2 3.83Å; A1039-I1041 PolarHBondContact O-N 2.91Å
1042	L	94.1	Very high	85.8	Confident	104 Å²	104	81.3 Å²	81.3	55%	0.545	44%	0.436	S	S	.	.			trans	-122.3	116.1	165.1	-173.6	72.4	0	0	0	108.4	I578 Y579 H580 D1044	I578-L1042 HydrophobicContact CG2-CB 3.84Å; Y579-L1042 PolarHBondContact O-N 3.49Å; H580-L1042 VanDerWaalsContact CA-O 3.28Å; H580-L1042 WeakPolarHBondContact CA-O 3.42Å; H580-L1042 PolarHBondContact ND1-O 2.66Å; L1042-D1044 PolarHBondContact O-N 3.23Å
1043	I	90.3	Very high	86.3	Confident	102 Å²	102	76.6 Å²	76.6	52%	0.523	40%	0.402	S	S	.	.			trans	-65.2	131.5	-177.1	-73.2	165.8	0	0	0	110.6	I583	I583-I1043 HydrophobicContact CD1-CB 4.16Å; I583-I1043 HydrophobicContact CD1-CD1 3.94Å; I583-I1043 HydrophobicContact CD1-CG1 3.93Å; I583-I1043 HydrophobicContact CD1-CG2 3.19Å; I583-I1043 HydrophobicContact CG1-CG2 3.84Å
1044	D	87.8	Confident	86.3	Confident	41 Å²	41	80.1 Å²	80.1	22%	0.219	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-113.6	118.4	171.1	-165.2	-20.1	0	0	0	109.9	H580 P581 Y582 Y634 L1042 G1046	H580-D1044 HydrophobicContact CB-CB 4.27Å; P581-D1044 PolarHBondContact O-N 3.44Å; Y582-D1044 HydrophobicContact CD1-CB 4.15Å; Y582-D1044 HydrophobicContact CE1-CB 4.18Å; Y634-D1044 HydrophobicContact CE1-CB 4.35Å; Y634-D1044 VanDerWaalsContact CE1-OD2 3.27Å; Y634-D1044 WeakPolarHBondContact CE1-OD2 3.4Å; Y634-D1044 PolarHBondContact OH-OD2 3.4Å; L1042-D1044 PolarHBondContact O-N 3.23Å; D1044-G1046 VanDerWaalsContact C-N 3.27Å; D1044-G1046 WeakPolarHBondContact OD1-CA 3.47Å; D1044-G1046 PolarHBondContact OD1-N 3.45Å
1045	N	86.1	Confident	86.5	Confident	118 Å²	118	76.1 Å²	76.1	63%	0.631	41%	0.405	S	S	*	.			trans	-87.4	3.5	177.3	-70	-26.3	0	0	0	112.8
1046	G	88.1	Confident	86.6	Confident	29 Å²	29	72.2 Å²	72.2	30%	0.299	38%	0.384	S	S	.	.	S	Bend	trans	-66.4	-177.5	175	0	0	0	0	0	113.5	D1044	D1044-G1046 VanDerWaalsContact C-N 3.27Å; D1044-G1046 WeakPolarHBondContact OD1-CA 3.47Å; D1044-G1046 PolarHBondContact OD1-N 3.45Å
1047	K	88.1	Confident	87	Confident	158 Å²	158	79.4 Å²	79.4	69%	0.687	42%	0.421	S	S	*	.			trans	-110.1	141	173.6	-61.8	-172.5	172.2	-176.9	0	109.3	Y585	Y585-K1047 HydrophobicContact CE2-CB 4.08Å; Y585-K1047 HydrophobicContact CE2-CG 3.94Å; Y585-K1047 WeakPolarHBondContact OH-CD 3.43Å
1048	P	86.3	Confident	87.3	Confident	22 Å²	22	76.6 Å²	76.6	14%	0.143	40%	0.402	C	S	.	.			trans	-60.7	139.5	168.5	27.3	-31.4	0	0	0	109	Y582 Y585 E632 Y1053	Y582-P1048 HydrophobicContact CD2-CB 3.97Å; Y582-P1048 HydrophobicContact CD2-CG 4.4Å; Y582-P1048 HydrophobicContact CE2-CB 3.85Å; Y585-P1048 HydrophobicContact CD1-CG 3.6Å; Y585-P1048 HydrophobicContact CD2-CG 4.08Å; Y585-P1048 HydrophobicContact CE1-CG 3.74Å; Y585-P1048 HydrophobicContact CE2-CG 4.23Å; Y585-P1048 HydrophobicContact CG-CG 3.78Å; E632-P1048 HydrophobicContact CB-CG 4.49Å; E632-P1048 WeakPolarHBondContact OE2-CB 3.32Å; E632-P1048 VanDerWaalsContact OE2-CG 3.3Å; E632-P1048 WeakPolarHBondContact OE2-CG 3.5Å; P1048-Y1053 HydrophobicContact CB-CE2 4.41Å
1049	N	86.3	Confident	87.6	Confident	79 Å²	79	74.8 Å²	74.8	42%	0.422	40%	0.398	S	S	.	.			trans	-102.2	123.6	171.7	-175.5	-3.4	0	0	0	107.9	S1051 F1052	N1049-S1051 PolarHBondContact ND2-OG 3.45Å; N1049-S1051 PolarHBondContact O-N 3.01Å; N1049-S1051 VanDerWaalsContact O-N 3.09Å; N1049-S1051 PolarHBondContact OD1-N 2.63Å; N1049-S1051 PolarHBondContact OD1-OG 3.21Å; N1049-F1052 HydrophobicContact CB-CD1 4.5Å; N1049-F1052 HydrophobicContact CB-CD2 3.65Å; N1049-F1052 HydrophobicContact CB-CE1 4.4Å; N1049-F1052 HydrophobicContact CB-CE2 3.53Å; N1049-F1052 HydrophobicContact CB-CG 4.13Å; N1049-F1052 HydrophobicContact CB-CZ 3.93Å; N1049-F1052 WeakPolarHBondContact O-CB 3.36Å; N1049-F1052 PolarHBondContact O-N 3.26Å
1050	E	85.9	Confident	87.7	Confident	111 Å²	111	77.1 Å²	77.1	52%	0.519	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-56.2	-28.6	179.5	-75.6	-62.1	160.2	0	0	112.4	K659 F1052 Y1053	K659-E1050 IonicContact NZ-OE1 2.75Å; K659-E1050 PolarHBondContact NZ-OE1 3.06Å; K659-E1050 IonicContact NZ-OE2 3.81Å; K659-E1050 PolarHBondContact NZ-OE2 3.09Å; E1050-F1052 PolarHBondContact O-N 3.29Å; E1050-Y1053 PolarHBondContact O-N 3.04Å; E1050-Y1053 VanDerWaalsContact O-N 3.1Å
1051	S	86.1	Confident	87.4	Confident	68 Å²	68	75 Å²	75	48%	0.476	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-63.4	-14.5	176.3	75.5	0	0	0	0	114.2	N1049	N1049-S1051 PolarHBondContact ND2-OG 3.45Å; N1049-S1051 PolarHBondContact O-N 3.01Å; N1049-S1051 VanDerWaalsContact O-N 3.09Å; N1049-S1051 PolarHBondContact OD1-N 2.63Å; N1049-S1051 PolarHBondContact OD1-OG 3.21Å
1052	F	86.6	Confident	86.8	Confident	76 Å²	76	74.9 Å²	74.9	33%	0.333	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-80.4	-17.2	177.3	-61.9	-30	0	0	0	113.3	P657 N1049 E1050 H1054	P657-F1052 HydrophobicContact CB-CB 4.29Å; P657-F1052 HydrophobicContact CG-CB 3.76Å; N1049-F1052 HydrophobicContact CB-CD1 4.5Å; N1049-F1052 HydrophobicContact CB-CD2 3.65Å; N1049-F1052 HydrophobicContact CB-CE1 4.4Å; N1049-F1052 HydrophobicContact CB-CE2 3.53Å; N1049-F1052 HydrophobicContact CB-CG 4.13Å; N1049-F1052 HydrophobicContact CB-CZ 3.93Å; N1049-F1052 WeakPolarHBondContact O-CB 3.36Å; N1049-F1052 PolarHBondContact O-N 3.26Å; E1050-F1052 PolarHBondContact O-N 3.29Å; F1052-H1054 PolarHBondContact O-N 3.39Å
1053	Y	89.1	Confident	85.6	Confident	8 Å²	8	74 Å²	74	3%	0.031	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-93.5	31.4	177.4	-59.9	-76.9	0	0	0	112.1	Y533 D535 E632 P657 I658 K659 P1048 E1050	Y533-Y1053 HydrophobicContact CD2-CD1 4.34Å; Y533-Y1053 WeakPolarHBondContact CE2-O 3.1Å; D535-Y1053 HydrophobicContact CB-CD1 4.07Å; E632-Y1053 PolarHBondContact OE2-OH 3.14Å; P657-Y1053 HydrophobicContact CB-CD1 4.01Å; P657-Y1053 HydrophobicContact CB-CE1 3.56Å; I658-Y1053 PolarHBondContact O-OH 2.89Å; K659-Y1053 HydrophobicContact CB-CD1 4.05Å; K659-Y1053 HydrophobicContact CB-CE1 3.4Å; K659-Y1053 VanDerWaalsContact CB-CE1 3.4Å; P1048-Y1053 HydrophobicContact CB-CE2 4.41Å; E1050-Y1053 PolarHBondContact O-N 3.04Å; E1050-Y1053 VanDerWaalsContact O-N 3.1Å
1054	H	85.9	Confident	83.9	Confident	115 Å²	115	78.5 Å²	78.5	53%	0.532	41%	0.414	S	S	.	.	S	Bend	trans	-124.2	161.8	170.9	-69	-48.1	0	0	0	109.2	Y533 F1052 Q1056	Y533-H1054 WeakPolarHBondContact CD1-O 3.23Å; Y533-H1054 VanDerWaalsContact CE1-C 3.49Å; F1052-H1054 PolarHBondContact O-N 3.39Å; H1054-Q1056 PolarHBondContact O-N 3.35Å
1055	P	82.9	Confident	82.1	Confident	55 Å²	55	81.7 Å²	81.7	36%	0.357	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-46.9	118.2	172.5	-28.6	35.9	0	0	0	110.9	Y533 N1057	Y533-P1055 HydrophobicContact CE1-CG 4.5Å; P1055-N1057 PolarHBondContact O-N 3.18Å
1056	Q	78.9	Confident	80.3	Confident	59 Å²	59	79.3 Å²	79.3	28%	0.276	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-65.4	132.8	-174	-72.2	-176.5	3.4	0	0	111.1	S532 R655 H1054 L1058	S532-Q1056 PolarHBondContact O-NE2 3.01Å; S532-Q1056 PolarHBondContact OG-N 2.79Å; R655-Q1056 PolarHBondContact O-NE2 2.79Å; H1054-Q1056 PolarHBondContact O-N 3.35Å; Q1056-L1058 PolarHBondContact O-N 3.39Å
1057	N	82.8	Confident	78.4	Confident	160 Å²	160	82.7 Å²	82.7	86%	0.856	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-65	129.9	173.6	-69.8	-36	0	0	0	110.1	P1055	P1055-N1057 PolarHBondContact O-N 3.18Å
1058	L	91.8	Very high	76.5	Confident	19 Å²	19	77.3 Å²	77.3	10%	0.099	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-66.3	151.8	171	-62.8	179.7	0	0	0	110.4	Q472 A476 I519 M523 Q1056 L1060	Q472-L1058 HydrophobicContact CB-CD1 4.16Å; A476-L1058 HydrophobicContact CB-CD1 3.55Å; A476-L1058 HydrophobicContact CB-CD2 4.34Å; A476-L1058 HydrophobicContact CB-CG 3.64Å; I519-L1058 HydrophobicContact CG2-CD1 3.84Å; M523-L1058 HydrophobicContact CG-CD1 4.34Å; M523-L1058 HydrophobicContact SD-CD1 3.56Å; M523-L1058 VanDerWaalsContact SD-CD1 3.56Å; Q1056-L1058 PolarHBondContact O-N 3.39Å; L1058-L1060 HydrophobicContact CB-CD2 4.24Å; L1058-L1060 WeakPolarHBondContact O-CG 3.49Å; L1058-L1060 PolarHBondContact O-N 3.29Å
1059	L	90.3	Very high	74.6	Confident	94 Å²	94	79.5 Å²	79.5	49%	0.492	42%	0.421	S	S	.	.			trans	-66.3	115.3	170.5	-60.4	174.4	0	0	0	109.6	K524 Q526	K524-L1059 HydrophobicContact CB-CB 4.17Å; K524-L1059 WeakPolarHBondContact CB-O 3.2Å; K524-L1059 HydrophobicContact CD-CB 4.35Å; K524-L1059 PolarHBondContact N-O 3.19Å; Q526-L1059 HydrophobicContact CB-CD1 4.35Å; Q526-L1059 VanDerWaalsContact NE2-N 3.1Å; Q526-L1059 PolarHBondContact NE2-O 3.38Å; Q526-L1059 VanDerWaalsContact NE2-O 3.11Å; Q526-L1059 VanDerWaalsContact OE1-CG 3.26Å
1060	L	90	Very high	72.9	Confident	53 Å²	53	84.1 Å²	84.1	28%	0.277	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-115.2	150.5	-179.9	-53.9	-177.2	0	0	0	111.4	I519 R522 M523 L1058	I519-L1060 HydrophobicContact CG1-CD1 4.48Å; I519-L1060 HydrophobicContact CG2-CD2 4.14Å; R522-L1060 HydrophobicContact CB-CB 4.12Å; R522-L1060 HydrophobicContact CB-CD2 4.43Å; R522-L1060 CarbonylContact O-C 3.43Å; R522-L1060 VanDerWaalsContact O-CA 3.24Å; R522-L1060 WeakPolarHBondContact O-CA 3.1Å; M523-L1060 HydrophobicContact CB-CD2 4.21Å; M523-L1060 HydrophobicContact CG-CD2 4.42Å; L1058-L1060 HydrophobicContact CB-CD2 4.24Å; L1058-L1060 WeakPolarHBondContact O-CG 3.49Å; L1058-L1060 PolarHBondContact O-N 3.29Å
1061	Y	85.5	Confident	71.3	Confident	19 Å²	19	85 Å²	85	8%	0.075	44%	0.442	C	S	.	.			trans	-68.7	150.7	164	-64.4	-73.8	0	0	0	110.7	P461 R522 K524	P461-Y1061 HydrophobicContact CB-CD1 4.12Å; P461-Y1061 HydrophobicContact CB-CD2 3.85Å; P461-Y1061 HydrophobicContact CB-CE2 4.31Å; P461-Y1061 HydrophobicContact CB-CG 3.76Å; R522-Y1061 PolarHBondContact NE-O 3.21Å; R522-Y1061 PolarHBondContact NH2-O 2.94Å; R522-Y1061 VanDerWaalsContact O-CD2 3.24Å; R522-Y1061 WeakPolarHBondContact O-CD2 3.3Å; R522-Y1061 PolarHBondContact O-N 2.82Å; K524-Y1061 HydrophobicContact CD-CD1 4.36Å; K524-Y1061 HydrophobicContact CD-CE1 4.16Å; K524-Y1061 VanDerWaalsContact CE-CD1 3.43Å; K524-Y1061 HydrophobicContact CG-CD1 4.09Å; K524-Y1061 HydrophobicContact CG-CD2 4.01Å; K524-Y1061 HydrophobicContact CG-CE1 3.87Å; K524-Y1061 HydrophobicContact CG-CE2 3.8Å; K524-Y1061 HydrophobicContact CG-CG 4.15Å
1062	P	80	Confident	69.7	Low	82 Å²	82	87.5 Å²	87.5	53%	0.532	45%	0.45	S	S	.	.			trans	-61.3	150.4	177.6	-19.3	31.4	0	0	0	112.8	E1064	P1062-E1064 VanDerWaalsContact C-N 3.34Å; P1062-E1064 PolarHBondContact O-N 3.37Å
1063	V	68.3	Low	68.4	Low	87 Å²	87	86.8 Å²	86.8	53%	0.527	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-68.7	-30.9	-178.5	180	0	0	0	0	112.6	L1065 Y1066	V1063-L1065 PolarHBondContact O-N 3.42Å; V1063-Y1066 PolarHBondContact O-N 2.75Å
1064	E	54.4	Low	66.9	Low	195 Å²	195	90.9 Å²	90.9	91%	0.911	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-58.6	-15	-170.2	-66.2	179.4	177.4	0	0	114.6	P1062	P1062-E1064 VanDerWaalsContact C-N 3.34Å; P1062-E1064 PolarHBondContact O-N 3.37Å
1065	L	50.9	Low	65.4	Low	108 Å²	108	87.9 Å²	87.9	57%	0.565	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-88.6	-4.7	179.3	-73.3	155	0	0	0	114.4	P461 V1063	P461-L1065 HydrophobicContact CG-CB 4.46Å; P461-L1065 HydrophobicContact CG-CD1 4.49Å; V1063-L1065 PolarHBondContact O-N 3.42Å
1066	Y	47.7	Very low	64.1	Low	69 Å²	69	89.3 Å²	89.3	27%	0.271	46%	0.463	S	S	.	.			trans	-146.3	117	-178	-174.5	-109.9	0	0	0	111.6	H440 V1063 P1068	H440-Y1066 AromaticContact CD2-CD2 3.71Å; H440-Y1066 AromaticContact CD2-CE2 3.88Å; H440-Y1066 AromaticContact CD2-CG 3.94Å; V1063-Y1066 PolarHBondContact O-N 2.75Å; Y1066-P1068 HydrophobicContact CD1-CB 4.28Å; Y1066-P1068 HydrophobicContact CD1-CG 4.48Å; Y1066-P1068 HydrophobicContact CE1-CB 3.82Å; Y1066-P1068 HydrophobicContact CE1-CG 4.48Å; Y1066-P1068 WeakPolarHBondContact O-CD 3.34Å
1067	N	47.7	Very low	63.4	Low	99 Å²	99	89.8 Å²	89.8	53%	0.529	46%	0.462	S	S	.	.			trans	-101.8	94.2	174.5	-161.5	-7.7	0	0	0	109.7	S1069 K1070	N1067-S1069 VanDerWaalsContact CG-OG 3.23Å; N1067-S1069 PolarHBondContact ND2-OG 3.11Å; N1067-S1069 PolarHBondContact O-N 3.13Å; N1067-S1069 PolarHBondContact OD1-OG 3.45Å; N1067-K1070 PolarHBondContact O-N 2.81Å
1068	P	48.5	Very low	63	Low	45 Å²	45	82.5 Å²	82.5	29%	0.292	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-63.4	-11.3	-178.5	24.2	-33.1	0	0	0	113.3	Y1066 K1070	Y1066-P1068 HydrophobicContact CD1-CB 4.28Å; Y1066-P1068 HydrophobicContact CD1-CG 4.48Å; Y1066-P1068 HydrophobicContact CE1-CB 3.82Å; Y1066-P1068 HydrophobicContact CE1-CG 4.48Å; Y1066-P1068 WeakPolarHBondContact O-CD 3.34Å; P1068-K1070 VanDerWaalsContact C-N 3.34Å; P1068-K1070 PolarHBondContact O-N 2.92Å
1069	S	47.4	Very low	61.6	Low	68 Å²	68	84.4 Å²	84.4	48%	0.476	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-77.2	-9.8	-175.9	66.9	0	0	0	0	115.2	N1067 Q1071	N1067-S1069 VanDerWaalsContact CG-OG 3.23Å; N1067-S1069 PolarHBondContact ND2-OG 3.11Å; N1067-S1069 PolarHBondContact O-N 3.13Å; N1067-S1069 PolarHBondContact OD1-OG 3.45Å; S1069-Q1071 VanDerWaalsContact C-N 3.33Å; S1069-Q1071 PolarHBondContact O-N 3.49Å
1070	K	49.8	Very low	60	Low	177 Å²	177	81.7 Å²	81.7	77%	0.77	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-71	-18.4	-169.1	-86.1	-173.1	175.3	179.6	0	115.7	N1067 P1068	N1067-K1070 PolarHBondContact O-N 2.81Å; P1068-K1070 VanDerWaalsContact C-N 3.34Å; P1068-K1070 PolarHBondContact O-N 2.92Å
1071	Q	52	Low	57.9	Low	128 Å²	128	85.4 Å²	85.4	60%	0.598	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-145	85	171.1	-83.5	178.9	-22.8	0	0	110	S1069 Y1073	S1069-Q1071 VanDerWaalsContact C-N 3.33Å; S1069-Q1071 PolarHBondContact O-N 3.49Å; Q1071-Y1073 HydrophobicContact CB-CE2 3.99Å; Q1071-Y1073 WeakPolarHBondContact O-CD2 3.23Å; Q1071-Y1073 PolarHBondContact O-N 3.26Å; Q1071-Y1073 PolarHBondContact OE1-OH 3.37Å
1072	L	53.2	Low	55.7	Low	122 Å²	122	91.2 Å²	91.2	64%	0.639	48%	0.482	S	S	*	.			trans	-75	110.4	162	-76.9	161.5	0	0	0	107.5
1073	Y	59.3	Low	53.5	Low	60 Å²	60	91.8 Å²	91.8	24%	0.235	49%	0.488	C	S	.	.			trans	-77	151.3	168.6	-66.6	-82.1	0	0	0	109.2	S177 Q1071 T1075 Y1077	S177-Y1073 WeakPolarHBondContact O-CA 3.14Å; S177-Y1073 PolarHBondContact O-N 3.46Å; Q1071-Y1073 HydrophobicContact CB-CE2 3.99Å; Q1071-Y1073 WeakPolarHBondContact O-CD2 3.23Å; Q1071-Y1073 PolarHBondContact O-N 3.26Å; Q1071-Y1073 PolarHBondContact OE1-OH 3.37Å; Y1073-T1075 PolarHBondContact O-N 2.89Å; Y1073-Y1077 VanDerWaalsContact CB-CB 3.42Å; Y1073-Y1077 HydrophobicContact CD1-CD1 4.17Å; Y1073-Y1077 AromaticContact CD1-CD2 3.1Å; Y1073-Y1077 HydrophobicContact CD1-CD2 3.1Å; Y1073-Y1077 HydrophobicContact CD1-CE1 4.48Å; Y1073-Y1077 AromaticContact CD1-CE2 3.51Å; Y1073-Y1077 HydrophobicContact CD1-CE2 3.51Å; Y1073-Y1077 AromaticContact CD1-CG 3.45Å; Y1073-Y1077 HydrophobicContact CD1-CG 3.45Å; Y1073-Y1077 VanDerWaalsContact CD1-CG 3.45Å; Y1073-Y1077 HydrophobicContact CD2-CD1 4.38Å; Y1073-Y1077 HydrophobicContact CD2-CG 4.38Å; Y1073-Y1077 AromaticContact CE1-CD2 3.44Å; Y1073-Y1077 HydrophobicContact CE1-CD2 3.44Å; Y1073-Y1077 VanDerWaalsContact CE1-CD2 3.44Å; Y1073-Y1077 HydrophobicContact CE1-CE1 4.46Å; Y1073-Y1077 AromaticContact CE1-CE2 3.27Å; Y1073-Y1077 HydrophobicContact CE1-CE2 3.27Å; Y1073-Y1077 HydrophobicContact CE1-CG 4.09Å; Y1073-Y1077 AromaticContact CE1-CZ 3.81Å; Y1073-Y1077 HydrophobicContact CG-CD1 4.04Å; Y1073-Y1077 AromaticContact CG-CD2 3.79Å; Y1073-Y1077 HydrophobicContact CG-CD2 3.79Å; Y1073-Y1077 HydrophobicContact CG-CE2 4.31Å; Y1073-Y1077 AromaticContact CG-CG 3.61Å; Y1073-Y1077 HydrophobicContact CG-CG 3.61Å; Y1073-Y1077 AromaticContact CZ-CE2 3.93Å; Y1073-Y1077 AromaticContact CZ-CZ 3.99Å
1074	T	57.9	Low	51.6	Low	94 Å²	94	94.1 Å²	94.1	58%	0.577	50%	0.496	S	S	*	.			trans	-53.1	145.3	160.5	53.2	0	0	0	0	107.9	H1076 Y1077	T1074-H1076 PolarHBondContact O-N 3.46Å; T1074-Y1077 WeakPolarHBondContact O-CB 3.41Å; T1074-Y1077 PolarHBondContact O-N 2.79Å
1075	T	53.5	Low	50.4	Low	52 Å²	52	91.6 Å²	91.6	32%	0.319	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-44.9	-38.2	170.9	48.8	0	0	0	0	110.3	E173 Y1073 Y1077 H1079	E173-T1075 HydrophobicContact CB-CG2 4.1Å; Y1073-T1075 PolarHBondContact O-N 2.89Å; T1075-Y1077 PolarHBondContact O-N 3.3Å; T1075-H1079 VanDerWaalsContact C-NE2 3.29Å; T1075-H1079 PolarHBondContact O-CD2 3.5Å; T1075-H1079 PolarHBondContact O-NE2 3.33Å
1076	H	56.4	Low	49.4	Very low	86 Å²	86	91.4 Å²	91.4	40%	0.398	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-51	-9.4	171	-56.7	-52.9	0	0	0	118.5	Y251 T1074 C1078 H1079 S1080	Y251-H1076 AromaticContact CE1-CE1 3.79Å; T1074-H1076 PolarHBondContact O-N 3.46Å; H1076-C1078 PolarHBondContact O-N 3.4Å; H1076-H1079 WeakPolarHBondContact CA-CD2 3.34Å; H1076-H1079 WeakPolarHBondContact O-CA 3.42Å; H1076-H1079 WeakPolarHBondContact O-CB 3.29Å; H1076-H1079 PolarHBondContact O-CD2 2.8Å; H1076-H1079 PolarHBondContact O-N 3.1Å; H1076-S1080 PolarHBondContact O-N 3.07Å
1077	Y	64.8	Low	48.7	Very low	69 Å²	69	92.4 Å²	92.4	27%	0.271	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-69	-35.7	179.1	172.6	-93	0	0	0	113.8	R275 Y1073 T1074 T1075 H1079	R275-Y1077 PolarHBondContact NH1-O 3.08Å; R275-Y1077 PolarHBondContact NH2-O 3.38Å; Y1073-Y1077 VanDerWaalsContact CB-CB 3.42Å; Y1073-Y1077 HydrophobicContact CD1-CD1 4.17Å; Y1073-Y1077 AromaticContact CD1-CD2 3.1Å; Y1073-Y1077 HydrophobicContact CD1-CD2 3.1Å; Y1073-Y1077 HydrophobicContact CD1-CE1 4.48Å; Y1073-Y1077 AromaticContact CD1-CE2 3.51Å; Y1073-Y1077 HydrophobicContact CD1-CE2 3.51Å; Y1073-Y1077 AromaticContact CD1-CG 3.45Å; Y1073-Y1077 HydrophobicContact CD1-CG 3.45Å; Y1073-Y1077 VanDerWaalsContact CD1-CG 3.45Å; Y1073-Y1077 HydrophobicContact CD2-CD1 4.38Å; Y1073-Y1077 HydrophobicContact CD2-CG 4.38Å; Y1073-Y1077 AromaticContact CE1-CD2 3.44Å; Y1073-Y1077 HydrophobicContact CE1-CD2 3.44Å; Y1073-Y1077 VanDerWaalsContact CE1-CD2 3.44Å; Y1073-Y1077 HydrophobicContact CE1-CE1 4.46Å; Y1073-Y1077 AromaticContact CE1-CE2 3.27Å; Y1073-Y1077 HydrophobicContact CE1-CE2 3.27Å; Y1073-Y1077 HydrophobicContact CE1-CG 4.09Å; Y1073-Y1077 AromaticContact CE1-CZ 3.81Å; Y1073-Y1077 HydrophobicContact CG-CD1 4.04Å; Y1073-Y1077 AromaticContact CG-CD2 3.79Å; Y1073-Y1077 HydrophobicContact CG-CD2 3.79Å; Y1073-Y1077 HydrophobicContact CG-CE2 4.31Å; Y1073-Y1077 AromaticContact CG-CG 3.61Å; Y1073-Y1077 HydrophobicContact CG-CG 3.61Å; Y1073-Y1077 AromaticContact CZ-CE2 3.93Å; Y1073-Y1077 AromaticContact CZ-CZ 3.99Å; T1074-Y1077 WeakPolarHBondContact O-CB 3.41Å; T1074-Y1077 PolarHBondContact O-N 2.79Å; T1075-Y1077 PolarHBondContact O-N 3.3Å; Y1077-H1079 PolarHBondContact O-N 3.44Å
1078	C	73.5	Confident	47.7	Very low	6 Å²	6	92.4 Å²	92.4	4%	0.041	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-61.9	-5.8	169.2	-63.9	0	0	0	0	113.9	W176 C181 P274 R275 H1076	W176-C1078 HydrophobicContact CB-CB 4.48Å; W176-C1078 VanDerWaalsContact CB-SG 3.59Å; C181-C1078 HydrophobicContact CB-CB 3.83Å; C181-C1078 WeakPolarHBondContact CB-SG 3.46Å; C181-C1078 WeakPolarHBondContact SG-CA 3.08Å; C181-C1078 WeakPolarHBondContact SG-CB 3.36Å; C181-C1078 CovalentContact SG-SG 2.03Å; C181-C1078 PolarHBondContact SG-SG 2.87Å; P274-C1078 HydrophobicContact CG-CB 4.13Å; R275-C1078 VanDerWaalsContact NH2-C 3.28Å; R275-C1078 PolarHBondContact NH2-O 3.46Å; H1076-C1078 PolarHBondContact O-N 3.4Å
1079	H	62.7	Low	46.9	Very low	60 Å²	60	98.5 Å²	98.5	28%	0.278	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-113.4	-25.5	-164.8	-44.2	-120.3	0	0	0	113.1	W270 T1075 H1076 Y1077	W270-H1079 AromaticContact CD2-CE1 3.33Å; W270-H1079 AromaticContact CD2-ND1 3.83Å; W270-H1079 AromaticContact CE2-CE1 2.98Å; W270-H1079 AromaticContact CE2-ND1 3.05Å; W270-H1079 AromaticContact CE3-CE1 3.54Å; W270-H1079 AromaticContact CH2-CE1 3.16Å; W270-H1079 WeakPolarHBondContact CH2-CE1 3.45Å; W270-H1079 AromaticContact CH2-ND1 3.74Å; W270-H1079 AromaticContact CZ2-CE1 2.94Å; W270-H1079 WeakPolarHBondContact CZ2-CE1 3.48Å; W270-H1079 AromaticContact CZ2-ND1 3.03Å; W270-H1079 WeakPolarHBondContact CZ2-ND1 3.46Å; W270-H1079 AromaticContact CZ3-CE1 3.45Å; W270-H1079 VanDerWaalsContact CZ3-CE1 3.45Å; W270-H1079 WeakPolarHBondContact CZ3-CE1 3.42Å; W270-H1079 AromaticContact NE1-CE1 3.64Å; W270-H1079 AromaticContact NE1-ND1 3.29Å; W270-H1079 PolarHBondContact NE1-ND1 3.05Å; T1075-H1079 VanDerWaalsContact C-NE2 3.29Å; T1075-H1079 PolarHBondContact O-CD2 3.5Å; T1075-H1079 PolarHBondContact O-NE2 3.33Å; H1076-H1079 WeakPolarHBondContact CA-CD2 3.34Å; H1076-H1079 WeakPolarHBondContact O-CA 3.42Å; H1076-H1079 WeakPolarHBondContact O-CB 3.29Å; H1076-H1079 PolarHBondContact O-CD2 2.8Å; H1076-H1079 PolarHBondContact O-N 3.1Å; Y1077-H1079 PolarHBondContact O-N 3.44Å
1080	S	57.3	Low	46	Very low	37 Å²	37	102.2 Å²	102.2	26%	0.259	55%	0.547	S	S	.	.			trans	-82.6	130.4	-178.4	61	0	0	0	0	111.9	R275 H1076 I1082	R275-S1080 PolarHBondContact NH2-O 3.36Å; H1076-S1080 PolarHBondContact O-N 3.07Å; S1080-I1082 PolarHBondContact O-N 3.18Å
1081	S	46	Very low	45	Very low	131 Å²	131	96.7 Å²	96.7	92%	0.916	53%	0.525	S	S	*	.			trans	-70.8	23.6	168.8	38.7	0	0	0	0	113.6	S1083	S1081-S1083 PolarHBondContact O-N 2.97Å
1082	I	38.1	Very low	44	Very low	140 Å²	140	95.1 Å²	95.1	72%	0.718	52%	0.517	S	S	*	.			trans	-65	122.7	178.4	-66.5	166.9	0	0	0	108.9	S1080 I1084	S1080-I1082 PolarHBondContact O-N 3.18Å; I1082-I1084 PolarHBondContact O-N 3.33Å
1083	S	33	Very low	42.7	Very low	94 Å²	94	97.3 Å²	97.3	66%	0.657	52%	0.524	S	S	*	.			trans	-65.8	118.7	178.3	39.8	0	0	0	0	112.4	S1081	S1081-S1083 PolarHBondContact O-N 2.97Å
1084	I	30	Very low	41.5	Very low	137 Å²	137	98.7 Å²	98.7	70%	0.703	54%	0.535	S	S	*	.			trans	69.3	96.5	133.6	-50.9	165.9	0	0	0	116	I1082 P1086	I1082-I1084 PolarHBondContact O-N 3.33Å; I1084-P1086 VanDerWaalsContact CG2-CA 3.47Å; I1084-P1086 HydrophobicContact CG2-CB 4.19Å
1085	L	28.7	Very low	40.3	Very low	141 Å²	141	97 Å²	97	74%	0.738	52%	0.521	S	S	*	.	S	Bend		-69	129.3	124	-126.5	100	0	0	0	105.4	S1087	L1085-S1087 PolarHBondContact O-N 3.31Å
1086	P	29.1	Very low	38.9	Very low	104 Å²	104	103.7 Å²	103.7	68%	0.675	54%	0.541	S	S	*	.			trans	-61.1	106	178.9	23.3	-29.5	0	0	0	107.2	I1084 N1088	I1084-P1086 VanDerWaalsContact CG2-CA 3.47Å; I1084-P1086 HydrophobicContact CG2-CB 4.19Å; P1086-N1088 PolarHBondContact O-N 2.89Å
1087	S	33	Very low	37.6	Very low	91 Å²	91	103.6 Å²	103.6	64%	0.636	55%	0.548	S	S	*	.			trans	-60.7	102.3	161.1	58.7	0	0	0	0	104	L1085 K1089	L1085-S1087 PolarHBondContact O-N 3.31Å; S1087-K1089 PolarHBondContact O-N 3.04Å
1088	N	27	Very low	35.9	Very low	98 Å²	98	108 Å²	108	52%	0.524	57%	0.568	S	S	.	*			trans	-63.2	92.9	174.8	-157.1	-4.1	0	0	0	104.5	P1086 N1090 L1091	P1086-N1088 PolarHBondContact O-N 2.89Å; N1088-N1090 PolarHBondContact O-N 3.28Å; N1088-L1091 HydrophobicContact CB-CB 4.47Å; N1088-L1091 PolarHBondContact O-N 3.39Å
1089	K	31.1	Very low	33.9	Very low	173 Å²	173	112.3 Å²	112.3	75%	0.752	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-8.5	-173.5	-74.8	-173.9	176.1	-177.7	0	112.4	S1087	S1087-K1089 PolarHBondContact O-N 3.04Å
1090	N	29.9	Very low	32.4	Very low	147 Å²	147	113.7 Å²	113.7	79%	0.786	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	5.8	178.5	-68.2	-20	0	0	0	115.2	N1088 F1092	N1088-N1090 PolarHBondContact O-N 3.28Å; N1090-F1092 VanDerWaalsContact C-N 3.34Å; N1090-F1092 PolarHBondContact O-N 2.86Å
1091	L	27.5	Very low	31.2	Very low	60 Å²	60	118.7 Å²	118.7	31%	0.314	62%	0.622	S	S	.	*			trans	-90.5	13	178.4	-140.5	78.8	0	0	0	114.7	A442 I445 N1088 Q1093	A442-L1091 HydrophobicContact CB-CD2 4.13Å; I445-L1091 HydrophobicContact CB-CD2 4.09Å; I445-L1091 HydrophobicContact CD1-CD2 3.85Å; I445-L1091 HydrophobicContact CD1-CG 4.03Å; I445-L1091 HydrophobicContact CG2-CD1 3.95Å; I445-L1091 HydrophobicContact CG2-CD2 4.1Å; I445-L1091 HydrophobicContact CG2-CG 4.39Å; N1088-L1091 HydrophobicContact CB-CB 4.47Å; N1088-L1091 PolarHBondContact O-N 3.39Å; L1091-Q1093 PolarHBondContact O-N 3.37Å
1092	F	31.6	Very low	30.4	Very low	96 Å²	96	117 Å²	117	42%	0.421	60%	0.6	S	S	.	*			trans	-88.4	73.6	173.1	-69.4	-79.1	0	0	0	110.6	L438 N1090 I1094	L438-F1092 HydrophobicContact CD1-CE1 4.27Å; N1090-F1092 VanDerWaalsContact C-N 3.34Å; N1090-F1092 PolarHBondContact O-N 2.86Å; F1092-I1094 PolarHBondContact O-N 2.81Å; F1092-I1094 VanDerWaalsContact O-N 3.07Å
1093	Q	27	Very low	30.3	Very low	167 Å²	167	113.6 Å²	113.6	78%	0.78	59%	0.588	S	S	*	*			trans	-77.2	73.7	150.7	-80.8	-174.2	-10	0	0	107.8	L1091 I1095	L1091-Q1093 PolarHBondContact O-N 3.37Å; Q1093-I1095 PolarHBondContact O-N 2.54Å
1094	I	34.4	Very low	30.5	Very low	90 Å²	90	113.8 Å²	113.8	46%	0.462	58%	0.581	S	S	.	*			trans	-58.6	110.4	135	-63.2	170.6	0	0	0	102	F1092 R1096	F1092-I1094 PolarHBondContact O-N 2.81Å; F1092-I1094 VanDerWaalsContact O-N 3.07Å; I1094-R1096 PolarHBondContact O-N 3.43Å
1095	I	31.6	Very low	30.8	Very low	58 Å²	58	110.6 Å²	110.6	30%	0.297	57%	0.566	S	S	.	*			trans	-21.1	107.5	160.4	-70.1	157.7	0	0	0	107.3	L464 V645 Q1093 P1097	L464-I1095 HydrophobicContact CD2-CD1 3.87Å; V645-I1095 HydrophobicContact CB-CD1 4.26Å; V645-I1095 HydrophobicContact CB-CG1 4.12Å; V645-I1095 HydrophobicContact CB-CG2 4.19Å; V645-I1095 HydrophobicContact CG1-CB 4.44Å; V645-I1095 HydrophobicContact CG1-CD1 4.24Å; V645-I1095 HydrophobicContact CG1-CG1 3.67Å; V645-I1095 HydrophobicContact CG1-CG2 4.23Å; V645-I1095 HydrophobicContact CG2-CB 3.83Å; V645-I1095 HydrophobicContact CG2-CD1 3.55Å; V645-I1095 HydrophobicContact CG2-CG1 3.53Å; V645-I1095 HydrophobicContact CG2-CG2 3.04Å; Q1093-I1095 PolarHBondContact O-N 2.54Å; I1095-P1097 WeakPolarHBondContact O-CD 3.35Å
1096	R	24.7	Very low	31.1	Very low	192 Å²	192	107.7 Å²	107.7	73%	0.725	55%	0.551	S	S	*	*			trans	-61.6	111.5	176.1	-74.4	176.9	171.6	172.6	-0.4	104.9	I1094 K1098	I1094-R1096 PolarHBondContact O-N 3.43Å; R1096-K1098 HydrophobicContact CB-CB 4.16Å; R1096-K1098 HydrophobicContact CB-CG 4.29Å; R1096-K1098 PolarHBondContact O-N 2.91Å
1097	P	29.2	Very low	31.5	Very low	84 Å²	84	110.5 Å²	110.5	55%	0.545	55%	0.552	S	S	.	*			trans	-79.6	63.4	161	21.8	-2	0	0	0	104.6	I1095 L1099 L1100	I1095-P1097 WeakPolarHBondContact O-CD 3.35Å; P1097-L1099 PolarHBondContact O-N 3.43Å; P1097-L1099 VanDerWaalsContact O-N 3.09Å; P1097-L1100 HydrophobicContact CB-CB 4.42Å; P1097-L1100 HydrophobicContact CB-CD1 4.21Å; P1097-L1100 PolarHBondContact O-N 2.95Å
1098	K	28.9	Very low	31.7	Very low	161 Å²	161	110.4 Å²	110.4	70%	0.7	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	5.6	173	-106.6	-166.6	177.4	-170.2	0	111.5	R1096	R1096-K1098 HydrophobicContact CB-CB 4.16Å; R1096-K1098 HydrophobicContact CB-CG 4.29Å; R1096-K1098 PolarHBondContact O-N 2.91Å
1099	L	30.5	Very low	31.9	Very low	97 Å²	97	110.4 Å²	110.4	51%	0.508	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	15.6	176	-98.9	95.3	0	0	0	114.5	P1097 L1101 Q1102 S1103	P1097-L1099 PolarHBondContact O-N 3.43Å; P1097-L1099 VanDerWaalsContact O-N 3.09Å; L1099-L1101 PolarHBondContact O-N 3.14Å; L1099-Q1102 HydrophobicContact CB-CB 4.1Å; L1099-Q1102 HydrophobicContact CD2-CB 3.71Å; L1099-Q1102 HydrophobicContact CD2-CG 3.99Å; L1099-Q1102 HydrophobicContact CG-CB 3.62Å; L1099-Q1102 HydrophobicContact CG-CG 4.29Å; L1099-Q1102 VanDerWaalsContact CG-OE1 3.23Å; L1099-Q1102 CarbonylContact O-C 3.53Å; L1099-Q1102 PolarHBondContact O-N 3.33Å; L1099-S1103 PolarHBondContact O-N 2.79Å
1100	L	32.3	Very low	31.9	Very low	90 Å²	90	107.2 Å²	107.2	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-61.9	-34.6	174.7	-146.2	90.1	0	0	0	111.8	P1097 Q1102 S1103	P1097-L1100 HydrophobicContact CB-CB 4.42Å; P1097-L1100 HydrophobicContact CB-CD1 4.21Å; P1097-L1100 PolarHBondContact O-N 2.95Å; L1100-Q1102 VanDerWaalsContact C-N 3.3Å; L1100-Q1102 PolarHBondContact O-N 3.11Å; L1100-S1103 PolarHBondContact O-OG 3.42Å
1101	L	30.8	Very low	32.1	Very low	141 Å²	141	106.2 Å²	106.2	74%	0.738	53%	0.526	S	S	*	.	H	α-helix	trans	-75.2	-20	173	-155.2	75.4	0	0	0	112.7	L1099 N1105	L1099-L1101 PolarHBondContact O-N 3.14Å; L1101-N1105 WeakPolarHBondContact O-CB 3.45Å; L1101-N1105 VanDerWaalsContact O-CG 3.22Å; L1101-N1105 PolarHBondContact O-N 3.44Å; L1101-N1105 VanDerWaalsContact O-N 3.16Å; L1101-N1105 PolarHBondContact O-ND2 2.91Å
1102	Q	30.5	Very low	32.3	Very low	97 Å²	97	107.5 Å²	107.5	45%	0.453	53%	0.533	S	S	.	.	H	α-helix	trans	-93.9	-27.4	-177.3	-153.6	167.9	-0.3	0	0	112	L1099 L1100 N1105 D1106	L1099-Q1102 HydrophobicContact CB-CB 4.1Å; L1099-Q1102 HydrophobicContact CD2-CB 3.71Å; L1099-Q1102 HydrophobicContact CD2-CG 3.99Å; L1099-Q1102 HydrophobicContact CG-CB 3.62Å; L1099-Q1102 HydrophobicContact CG-CG 4.29Å; L1099-Q1102 VanDerWaalsContact CG-OE1 3.23Å; L1099-Q1102 CarbonylContact O-C 3.53Å; L1099-Q1102 PolarHBondContact O-N 3.33Å; L1100-Q1102 VanDerWaalsContact C-N 3.3Å; L1100-Q1102 PolarHBondContact O-N 3.11Å; Q1102-N1105 CarbonylContact O-C 3.55Å; Q1102-D1106 WeakPolarHBondContact O-CA 3.42Å; Q1102-D1106 WeakPolarHBondContact O-CB 3.49Å; Q1102-D1106 PolarHBondContact O-N 3.5Å
1103	S	36	Very low	32.3	Very low	67 Å²	67	111.4 Å²	111.4	47%	0.469	55%	0.546	S	S	.	.	H	α-helix	trans	-70.7	-38.2	171.6	63.5	0	0	0	0	112.5	L1099 L1100 D1106 F1107	L1099-S1103 PolarHBondContact O-N 2.79Å; L1100-S1103 PolarHBondContact O-OG 3.42Å; S1103-D1106 PolarHBondContact O-N 3.19Å; S1103-F1107 WeakPolarHBondContact O-CB 3.21Å; S1103-F1107 PolarHBondContact O-N 2.73Å
1104	I	37.4	Very low	32.6	Very low	99 Å²	99	109.1 Å²	109.1	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-71.1	-42.7	172.9	-62.4	173.4	0	0	0	109.8	D1106 F1107 I1108	I1104-D1106 PolarHBondContact O-N 3.42Å; I1104-F1107 PolarHBondContact O-N 2.86Å; I1104-I1108 HydrophobicContact CG2-CD1 3.77Å; I1104-I1108 WeakPolarHBondContact O-CB 3.27Å; I1104-I1108 VanDerWaalsContact O-CG1 3.26Å; I1104-I1108 WeakPolarHBondContact O-CG1 3.2Å; I1104-I1108 PolarHBondContact O-N 3.47Å
1105	N	35.7	Very low	32.7	Very low	70 Å²	70	107.7 Å²	107.7	37%	0.374	53%	0.534	S	S	.	.	H	α-helix	trans	-69.7	-27.8	173.8	-81.4	-29.9	0	0	0	113.4	L1101 Q1102 Q1109	L1101-N1105 WeakPolarHBondContact O-CB 3.45Å; L1101-N1105 VanDerWaalsContact O-CG 3.22Å; L1101-N1105 PolarHBondContact O-N 3.44Å; L1101-N1105 VanDerWaalsContact O-N 3.16Å; L1101-N1105 PolarHBondContact O-ND2 2.91Å; Q1102-N1105 CarbonylContact O-C 3.55Å; N1105-Q1109 VanDerWaalsContact O-CA 3.27Å; N1105-Q1109 WeakPolarHBondContact O-CA 3.06Å; N1105-Q1109 WeakPolarHBondContact O-CB 3.47Å; N1105-Q1109 WeakPolarHBondContact O-CG 3.42Å; N1105-Q1109 PolarHBondContact O-N 2.88Å
1106	D	34.4	Very low	32.6	Very low	79 Å²	79	110.8 Å²	110.8	42%	0.422	55%	0.545	S	S	.	.	H	α-helix	trans	-78	-29.3	176.2	-74.4	-18.5	0	0	0	109.7	Q1102 S1103 I1104 L1110	Q1102-D1106 WeakPolarHBondContact O-CA 3.42Å; Q1102-D1106 WeakPolarHBondContact O-CB 3.49Å; Q1102-D1106 PolarHBondContact O-N 3.5Å; S1103-D1106 PolarHBondContact O-N 3.19Å; I1104-D1106 PolarHBondContact O-N 3.42Å; D1106-L1110 VanDerWaalsContact O-CB 3.25Å; D1106-L1110 WeakPolarHBondContact O-CB 3.26Å; D1106-L1110 PolarHBondContact O-N 2.83Å
1107	F	38.1	Very low	32.9	Very low	163 Å²	163	110.2 Å²	110.2	72%	0.715	55%	0.548	S	S	*	.	H	α-helix	trans	-72	-42.5	170.9	-142	-94.6	0	0	0	111.5	S1103 I1104 L1110 D1111	S1103-F1107 WeakPolarHBondContact O-CB 3.21Å; S1103-F1107 PolarHBondContact O-N 2.73Å; I1104-F1107 PolarHBondContact O-N 2.86Å; F1107-L1110 PolarHBondContact O-N 2.83Å; F1107-D1111 PolarHBondContact O-N 3.47Å
1108	I	37.2	Very low	33.8	Very low	89 Å²	89	110.7 Å²	110.7	46%	0.456	55%	0.553	S	S	.	*	H	α-helix	trans	-71.7	-36.1	174.6	-65.6	170.2	0	0	0	111.1	I1104 L1112	I1104-I1108 HydrophobicContact CG2-CD1 3.77Å; I1104-I1108 WeakPolarHBondContact O-CB 3.27Å; I1104-I1108 VanDerWaalsContact O-CG1 3.26Å; I1104-I1108 WeakPolarHBondContact O-CG1 3.2Å; I1104-I1108 PolarHBondContact O-N 3.47Å; I1108-L1112 HydrophobicContact CG2-CD1 4Å; I1108-L1112 PolarHBondContact O-N 2.83Å; I1108-L1112 VanDerWaalsContact O-N 3.13Å
1109	Q	30.9	Very low	34.4	Very low	98 Å²	98	110.6 Å²	110.6	46%	0.458	56%	0.555	S	S	.	*	H	α-helix	trans	-75.5	-26.6	174.5	-76	-84.5	-29.1	0	0	111.8	N1105 D1111 L1112 Y1113	N1105-Q1109 VanDerWaalsContact O-CA 3.27Å; N1105-Q1109 WeakPolarHBondContact O-CA 3.06Å; N1105-Q1109 WeakPolarHBondContact O-CB 3.47Å; N1105-Q1109 WeakPolarHBondContact O-CG 3.42Å; N1105-Q1109 PolarHBondContact O-N 2.88Å; Q1109-D1111 VanDerWaalsContact C-N 3.31Å; Q1109-D1111 PolarHBondContact O-N 2.68Å; Q1109-L1112 CarbonylContact O-C 3.5Å; Q1109-L1112 PolarHBondContact O-N 3.37Å; Q1109-Y1113 WeakPolarHBondContact O-CA 3.24Å; Q1109-Y1113 WeakPolarHBondContact O-CB 3.32Å; Q1109-Y1113 PolarHBondContact O-N 3.37Å
1110	L	32.3	Very low	35	Very low	107 Å²	107	112.4 Å²	112.4	56%	0.56	56%	0.559	S	S	*	*	H	α-helix	trans	-68.3	-36.4	175	-133.6	71.5	0	0	0	111.1	D1106 F1107 I1114	D1106-L1110 VanDerWaalsContact O-CB 3.25Å; D1106-L1110 WeakPolarHBondContact O-CB 3.26Å; D1106-L1110 PolarHBondContact O-N 2.83Å; F1107-L1110 PolarHBondContact O-N 2.83Å; L1110-I1114 HydrophobicContact CG-CD1 4.3Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.45Å; L1110-I1114 PolarHBondContact O-N 3.13Å
1111	D	32.3	Very low	35.6	Very low	125 Å²	125	112.9 Å²	112.9	67%	0.668	56%	0.557	S	S	*	*	H	α-helix	trans	-68.7	-33.4	171.5	-83.4	-21.3	0	0	0	112.1	F1107 Q1109 T1115	F1107-D1111 PolarHBondContact O-N 3.47Å; Q1109-D1111 VanDerWaalsContact C-N 3.31Å; Q1109-D1111 PolarHBondContact O-N 2.68Å; D1111-T1115 PolarHBondContact O-OG1 3.11Å
1112	L	33	Very low	36.8	Very low	88 Å²	88	111.1 Å²	111.1	46%	0.461	55%	0.548	S	S	.	.	H	α-helix	trans	-80.9	-36.1	175.8	-87	152.1	0	0	0	113.9	I1108 Q1109 T1115 F1116	I1108-L1112 HydrophobicContact CG2-CD1 4Å; I1108-L1112 PolarHBondContact O-N 2.83Å; I1108-L1112 VanDerWaalsContact O-N 3.13Å; Q1109-L1112 CarbonylContact O-C 3.5Å; Q1109-L1112 PolarHBondContact O-N 3.37Å; L1112-T1115 WeakPolarHBondContact O-CB 3.45Å; L1112-T1115 PolarHBondContact O-N 3.23Å; L1112-F1116 WeakPolarHBondContact O-CD2 3.29Å
1113	Y	31.1	Very low	38.3	Very low	178 Å²	178	110.4 Å²	110.4	70%	0.698	54%	0.544	S	S	*	.	H	α-helix	trans	-82.5	-31	-169.8	-169.9	-98.4	0	0	0	112	Q1109 T1115 F1116	Q1109-Y1113 WeakPolarHBondContact O-CA 3.24Å; Q1109-Y1113 WeakPolarHBondContact O-CB 3.32Å; Q1109-Y1113 PolarHBondContact O-N 3.37Å; Y1113-T1115 PolarHBondContact O-N 2.97Å; Y1113-F1116 PolarHBondContact O-N 3.49Å
1114	I	34.2	Very low	39.6	Very low	118 Å²	118	110.9 Å²	110.9	61%	0.605	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-70	-17.4	170.6	-64.7	174.3	0	0	0	111.1	L1110	L1110-I1114 HydrophobicContact CG-CD1 4.3Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.45Å; L1110-I1114 PolarHBondContact O-N 3.13Å
1115	T	35.2	Very low	41	Very low	61 Å²	61	108.7 Å²	108.7	37%	0.374	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-81.5	-12	-179.7	-50.5	0	0	0	0	113.4	D1111 L1112 Y1113	D1111-T1115 PolarHBondContact O-OG1 3.11Å; L1112-T1115 WeakPolarHBondContact O-CB 3.45Å; L1112-T1115 PolarHBondContact O-N 3.23Å; Y1113-T1115 PolarHBondContact O-N 2.97Å
1116	F	30.1	Very low	42.8	Very low	122 Å²	122	109.7 Å²	109.7	54%	0.535	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-109.4	25.8	-170.2	-89.9	-89.4	0	0	0	117	L1112 Y1113 S1118 F1121	L1112-F1116 WeakPolarHBondContact O-CD2 3.29Å; Y1113-F1116 PolarHBondContact O-N 3.49Å; F1116-S1118 PolarHBondContact O-N 2.88Å; F1116-S1118 VanDerWaalsContact O-N 3.13Å; F1116-F1121 AromaticContact CD1-CD2 3.86Å; F1116-F1121 HydrophobicContact CD1-CD2 3.86Å; F1116-F1121 HydrophobicContact CD1-CE2 4.31Å; F1116-F1121 AromaticContact CE1-CD2 3.15Å; F1116-F1121 HydrophobicContact CE1-CD2 3.15Å; F1116-F1121 AromaticContact CE1-CE2 3.22Å; F1116-F1121 HydrophobicContact CE1-CE2 3.22Å; F1116-F1121 HydrophobicContact CE1-CG 4.19Å; F1116-F1121 HydrophobicContact CE1-CZ 4.27Å; F1116-F1121 AromaticContact CZ-CD2 3.77Å; F1116-F1121 HydrophobicContact CZ-CD2 3.77Å; F1116-F1121 AromaticContact CZ-CE2 3.62Å; F1116-F1121 HydrophobicContact CZ-CE2 3.62Å
1117	K	30.5	Very low	44.6	Very low	181 Å²	181	108.4 Å²	108.4	79%	0.787	53%	0.53	S	S	*	.	S	Bend	trans	-81.1	94.4	167.1	-133.2	177.8	-174.7	179.7	0	111.3	H1119	K1117-H1119 PolarHBondContact O-N 3.39Å
1118	S	47.7	Very low	46.2	Very low	93 Å²	93	105.2 Å²	105.2	65%	0.65	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	19.7	-0	158.3	77.8	0	0	0	0	124.5	F1116	F1116-S1118 PolarHBondContact O-N 2.88Å; F1116-S1118 VanDerWaalsContact O-N 3.13Å
1119	H	42.4	Very low	47.9	Very low	160 Å²	160	106.2 Å²	106.2	74%	0.741	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-15.8	167.9	-74.8	-76.2	0	0	0	113.1	K1117	K1117-H1119 PolarHBondContact O-N 3.39Å
1120	K	44.1	Very low	50	Low	135 Å²	135	103.1 Å²	103.1	59%	0.587	51%	0.512	S	S	*	.	H	α-helix	trans	-84.4	-28.2	177.5	-68.6	-174.3	177.5	-176.7	0	114	N1122 F1123 I1124	K1120-N1122 VanDerWaalsContact C-N 3.31Å; K1120-N1122 PolarHBondContact O-N 2.96Å; K1120-F1123 WeakPolarHBondContact O-CB 3.48Å; K1120-F1123 PolarHBondContact O-N 3.4Å; K1120-I1124 PolarHBondContact O-N 2.86Å
1121	F	43.8	Very low	51.9	Low	100 Å²	100	102.9 Å²	102.9	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-61.8	-39.5	179.1	-163.3	-105.9	0	0	0	111.8	F1116 F1123 I1124 C1125	F1116-F1121 AromaticContact CD1-CD2 3.86Å; F1116-F1121 HydrophobicContact CD1-CD2 3.86Å; F1116-F1121 HydrophobicContact CD1-CE2 4.31Å; F1116-F1121 AromaticContact CE1-CD2 3.15Å; F1116-F1121 HydrophobicContact CE1-CD2 3.15Å; F1116-F1121 AromaticContact CE1-CE2 3.22Å; F1116-F1121 HydrophobicContact CE1-CE2 3.22Å; F1116-F1121 HydrophobicContact CE1-CG 4.19Å; F1116-F1121 HydrophobicContact CE1-CZ 4.27Å; F1116-F1121 AromaticContact CZ-CD2 3.77Å; F1116-F1121 HydrophobicContact CZ-CD2 3.77Å; F1116-F1121 AromaticContact CZ-CE2 3.62Å; F1116-F1121 HydrophobicContact CZ-CE2 3.62Å; F1121-F1123 VanDerWaalsContact C-N 3.27Å; F1121-F1123 PolarHBondContact O-N 2.89Å; F1121-I1124 PolarHBondContact O-N 3.14Å; F1121-C1125 WeakPolarHBondContact CE1-SG 3.28Å; F1121-C1125 WeakPolarHBondContact O-CB 3.27Å; F1121-C1125 PolarHBondContact O-N 3.28Å; F1121-C1125 PolarHBondContact O-SG 2.76Å
1122	N	55.6	Low	53.7	Low	103 Å²	103	99.8 Å²	99.8	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-60.3	-36.4	173.7	-75.5	-12	0	0	0	112.3	K1120 I1126	K1120-N1122 VanDerWaalsContact C-N 3.31Å; K1120-N1122 PolarHBondContact O-N 2.96Å; N1122-I1126 WeakPolarHBondContact O-CB 3.16Å; N1122-I1126 VanDerWaalsContact O-CD1 3.29Å; N1122-I1126 WeakPolarHBondContact O-CD1 3.44Å; N1122-I1126 WeakPolarHBondContact O-CG1 3.33Å; N1122-I1126 PolarHBondContact O-N 2.78Å
1123	F	62	Low	55.5	Low	82 Å²	82	98.7 Å²	98.7	36%	0.36	49%	0.492	S	S	.	.	H	α-helix	trans	-70.7	-42.4	-179.4	-168.4	-101	0	0	0	112.4	K1120 F1121 I1126 I1127 L1170	K1120-F1123 WeakPolarHBondContact O-CB 3.48Å; K1120-F1123 PolarHBondContact O-N 3.4Å; F1121-F1123 VanDerWaalsContact C-N 3.27Å; F1121-F1123 PolarHBondContact O-N 2.89Å; F1123-I1126 PolarHBondContact O-N 3.32Å; F1123-I1127 HydrophobicContact CD1-CD1 3.78Å; F1123-I1127 HydrophobicContact CE1-CD1 3.47Å; F1123-I1127 VanDerWaalsContact CE1-CD1 3.47Å; F1123-I1127 HydrophobicContact CE1-CG1 4.39Å; F1123-I1127 HydrophobicContact CZ-CD1 4.2Å; F1123-I1127 WeakPolarHBondContact O-CG1 3.29Å; F1123-I1127 PolarHBondContact O-N 3.47Å; F1123-L1170 HydrophobicContact CE2-CD1 3.84Å; F1123-L1170 HydrophobicContact CE2-CD2 3.79Å; F1123-L1170 HydrophobicContact CE2-CG 4.32Å; F1123-L1170 HydrophobicContact CZ-CB 4.01Å; F1123-L1170 HydrophobicContact CZ-CD1 3.71Å; F1123-L1170 HydrophobicContact CZ-CD2 3.73Å; F1123-L1170 HydrophobicContact CZ-CG 4Å
1124	I	63.8	Low	57.3	Low	77 Å²	77	92.5 Å²	92.5	40%	0.395	47%	0.474	S	S	.	.	H	α-helix	trans	-67.4	-42.2	175	-63.7	173.2	0	0	0	110.4	K1120 F1121 I1126 I1127 I1128	K1120-I1124 PolarHBondContact O-N 2.86Å; F1121-I1124 PolarHBondContact O-N 3.14Å; I1124-I1126 VanDerWaalsContact C-N 3.31Å; I1124-I1126 PolarHBondContact O-N 3.34Å; I1124-I1127 PolarHBondContact O-N 2.73Å; I1124-I1128 HydrophobicContact CG2-CD1 3.86Å; I1124-I1128 HydrophobicContact CG2-CG1 4.4Å; I1124-I1128 WeakPolarHBondContact O-CG1 3.37Å; I1124-I1128 PolarHBondContact O-N 3.05Å
1125	C	66.2	Low	58.8	Low	53 Å²	53	93.6 Å²	93.6	36%	0.358	47%	0.472	S	S	.	.	H	α-helix	trans	-60.6	-39.1	173.5	-71.8	0	0	0	0	112.2	F1121 I1128 L1129	F1121-C1125 WeakPolarHBondContact CE1-SG 3.28Å; F1121-C1125 WeakPolarHBondContact O-CB 3.27Å; F1121-C1125 PolarHBondContact O-N 3.28Å; F1121-C1125 PolarHBondContact O-SG 2.76Å; C1125-I1128 PolarHBondContact O-N 3.48Å; C1125-L1129 WeakPolarHBondContact O-CB 3.36Å; C1125-L1129 PolarHBondContact O-N 3.15Å
1126	I	73.8	Confident	60	Low	92 Å²	92	96.7 Å²	96.7	47%	0.472	48%	0.481	S	S	.	.	H	α-helix	trans	-63.7	-44.7	174	-72	161.2	0	0	0	110.4	N1122 F1123 I1124 I1128 L1129 L1130	N1122-I1126 WeakPolarHBondContact O-CB 3.16Å; N1122-I1126 VanDerWaalsContact O-CD1 3.29Å; N1122-I1126 WeakPolarHBondContact O-CD1 3.44Å; N1122-I1126 WeakPolarHBondContact O-CG1 3.33Å; N1122-I1126 PolarHBondContact O-N 2.78Å; F1123-I1126 PolarHBondContact O-N 3.32Å; I1124-I1126 VanDerWaalsContact C-N 3.31Å; I1124-I1126 PolarHBondContact O-N 3.34Å; I1126-I1128 PolarHBondContact O-N 2.89Å; I1126-L1129 PolarHBondContact O-N 3.19Å; I1126-L1130 HydrophobicContact CG2-CD1 4Å; I1126-L1130 HydrophobicContact CG2-CG 4.34Å; I1126-L1130 WeakPolarHBondContact O-CB 3.43Å; I1126-L1130 WeakPolarHBondContact O-CG 3.37Å; I1126-L1130 PolarHBondContact O-N 3.47Å
1127	I	71.9	Confident	61.3	Low	51 Å²	51	93.2 Å²	93.2	26%	0.262	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-45.7	177.2	-69.7	170.5	0	0	0	111.1	F1123 I1124 L1130 I1131 L1167	F1123-I1127 HydrophobicContact CD1-CD1 3.78Å; F1123-I1127 HydrophobicContact CE1-CD1 3.47Å; F1123-I1127 VanDerWaalsContact CE1-CD1 3.47Å; F1123-I1127 HydrophobicContact CE1-CG1 4.39Å; F1123-I1127 HydrophobicContact CZ-CD1 4.2Å; F1123-I1127 WeakPolarHBondContact O-CG1 3.29Å; F1123-I1127 PolarHBondContact O-N 3.47Å; I1124-I1127 PolarHBondContact O-N 2.73Å; I1127-L1130 PolarHBondContact O-N 3.17Å; I1127-I1131 HydrophobicContact CG2-CD1 3.91Å; I1127-I1131 WeakPolarHBondContact O-CG1 3.17Å; I1127-I1131 PolarHBondContact O-N 3.46Å; I1127-L1167 HydrophobicContact CG1-CD2 4.13Å; I1127-L1167 HydrophobicContact CG2-CD2 4.47Å
1128	I	72.1	Confident	62.3	Low	96 Å²	96	92.5 Å²	92.5	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-44.9	177.2	-67	170.4	0	0	0	110.3	I1124 C1125 I1126 L1130 I1131 V1132	I1124-I1128 HydrophobicContact CG2-CD1 3.86Å; I1124-I1128 HydrophobicContact CG2-CG1 4.4Å; I1124-I1128 WeakPolarHBondContact O-CG1 3.37Å; I1124-I1128 PolarHBondContact O-N 3.05Å; C1125-I1128 PolarHBondContact O-N 3.48Å; I1126-I1128 PolarHBondContact O-N 2.89Å; I1128-L1130 VanDerWaalsContact C-N 3.3Å; I1128-L1130 PolarHBondContact O-N 3.19Å; I1128-I1131 PolarHBondContact O-N 3.4Å; I1128-V1132 HydrophobicContact CG2-CG2 4.3Å; I1128-V1132 WeakPolarHBondContact O-CB 3.39Å; I1128-V1132 VanDerWaalsContact O-CG2 3.26Å; I1128-V1132 WeakPolarHBondContact O-CG2 3.44Å; I1128-V1132 PolarHBondContact O-N 3.43Å
1129	L	73.4	Confident	62.5	Low	110 Å²	110	96.1 Å²	96.1	58%	0.576	47%	0.467	S	S	*	.	H	α-helix	trans	-59.4	-41.8	176.5	-168.6	81	0	0	0	111.1	C1125 I1126 V1132 V1133	C1125-L1129 WeakPolarHBondContact O-CB 3.36Å; C1125-L1129 PolarHBondContact O-N 3.15Å; I1126-L1129 PolarHBondContact O-N 3.19Å; L1129-V1132 PolarHBondContact O-N 3.11Å; L1129-V1133 WeakPolarHBondContact O-CB 3.21Å; L1129-V1133 VanDerWaalsContact O-CG2 3.24Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.42Å; L1129-V1133 PolarHBondContact O-N 3.39Å
1130	L	74	Confident	62.7	Low	34 Å²	34	91 Å²	91	18%	0.178	46%	0.458	C	S	.	.	H	α-helix	trans	-66.1	-40.1	177.3	-71.8	177.4	0	0	0	112.4	I1126 I1127 I1128 V1133 C1134 L1163 L1167	I1126-L1130 HydrophobicContact CG2-CD1 4Å; I1126-L1130 HydrophobicContact CG2-CG 4.34Å; I1126-L1130 WeakPolarHBondContact O-CB 3.43Å; I1126-L1130 WeakPolarHBondContact O-CG 3.37Å; I1126-L1130 PolarHBondContact O-N 3.47Å; I1127-L1130 PolarHBondContact O-N 3.17Å; I1128-L1130 VanDerWaalsContact C-N 3.3Å; I1128-L1130 PolarHBondContact O-N 3.19Å; L1130-V1133 PolarHBondContact O-N 3.4Å; L1130-C1134 WeakPolarHBondContact O-CB 3.37Å; L1130-C1134 PolarHBondContact O-N 3.13Å; L1130-C1134 PolarHBondContact O-SG 3.11Å; L1130-C1134 VanDerWaalsContact O-SG 3.35Å; L1130-L1163 HydrophobicContact CB-CD2 4.44Å; L1130-L1163 HydrophobicContact CD1-CD2 3.6Å; L1130-L1163 HydrophobicContact CD2-CD1 4.18Å; L1130-L1163 HydrophobicContact CD2-CD2 3.24Å; L1130-L1163 HydrophobicContact CD2-CG 4.35Å; L1130-L1163 HydrophobicContact CG-CD2 3.89Å; L1130-L1167 HydrophobicContact CD1-CD2 4.32Å
1131	I	72.3	Confident	63	Low	101 Å²	101	91.6 Å²	91.6	52%	0.518	47%	0.466	S	S	.	.	H	α-helix	trans	-63.1	-44.4	173.9	-68.3	165.9	0	0	0	110.4	I1127 I1128 C1134 Y1135	I1127-I1131 HydrophobicContact CG2-CD1 3.91Å; I1127-I1131 WeakPolarHBondContact O-CG1 3.17Å; I1127-I1131 PolarHBondContact O-N 3.46Å; I1128-I1131 PolarHBondContact O-N 3.4Å; I1131-C1134 PolarHBondContact O-N 3.42Å; I1131-Y1135 WeakPolarHBondContact O-CB 3.47Å; I1131-Y1135 PolarHBondContact O-N 2.86Å
1132	V	70.8	Confident	62.9	Low	60 Å²	60	94 Å²	94	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-45.6	178	170.7	0	0	0	0	111	I1128 L1129 C1134 Y1135 F1136	I1128-V1132 HydrophobicContact CG2-CG2 4.3Å; I1128-V1132 WeakPolarHBondContact O-CB 3.39Å; I1128-V1132 VanDerWaalsContact O-CG2 3.26Å; I1128-V1132 WeakPolarHBondContact O-CG2 3.44Å; I1128-V1132 PolarHBondContact O-N 3.43Å; L1129-V1132 PolarHBondContact O-N 3.11Å; V1132-C1134 PolarHBondContact O-N 3.1Å; V1132-Y1135 WeakPolarHBondContact O-CB 3.02Å; V1132-Y1135 PolarHBondContact O-N 2.78Å; V1132-Y1135 VanDerWaalsContact O-N 3.14Å; V1132-F1136 HydrophobicContact CG1-CD2 3.53Å; V1132-F1136 HydrophobicContact CG1-CE2 3.55Å; V1132-F1136 VanDerWaalsContact O-CD2 3.27Å; V1132-F1136 WeakPolarHBondContact O-CD2 3.46Å; V1132-F1136 PolarHBondContact O-N 2.7Å
1133	V	71.8	Confident	62.1	Low	65 Å²	65	97.6 Å²	97.6	39%	0.394	49%	0.491	S	S	.	.	H	α-helix	trans	-60.7	-43.9	175.1	170.1	0	0	0	0	110.7	L1129 L1130 Y1135 F1136 C1137	L1129-V1133 WeakPolarHBondContact O-CB 3.21Å; L1129-V1133 VanDerWaalsContact O-CG2 3.24Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.42Å; L1129-V1133 PolarHBondContact O-N 3.39Å; L1130-V1133 PolarHBondContact O-N 3.4Å; V1133-Y1135 VanDerWaalsContact C-N 3.31Å; V1133-Y1135 PolarHBondContact O-N 3.31Å; V1133-F1136 PolarHBondContact O-N 3.37Å; V1133-C1137 WeakPolarHBondContact O-CB 3.49Å; V1133-C1137 PolarHBondContact O-N 2.93Å; V1133-C1137 PolarHBondContact O-SG 3.06Å
1134	C	68.2	Low	61	Low	48 Å²	48	99.1 Å²	99.1	32%	0.324	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-38.5	174.1	-75.8	0	0	0	0	112.7	L1130 I1131 V1132 K1138	L1130-C1134 WeakPolarHBondContact O-CB 3.37Å; L1130-C1134 PolarHBondContact O-N 3.13Å; L1130-C1134 PolarHBondContact O-SG 3.11Å; L1130-C1134 VanDerWaalsContact O-SG 3.35Å; I1131-C1134 PolarHBondContact O-N 3.42Å; V1132-C1134 PolarHBondContact O-N 3.1Å; C1134-K1138 PolarHBondContact O-N 3.01Å
1135	Y	65.3	Low	59.8	Low	142 Å²	142	98.6 Å²	98.6	56%	0.557	52%	0.524	S	S	*	.	H	α-helix	trans	-68.5	-42.9	177.3	-173.8	-97.2	0	0	0	112.1	I1131 V1132 V1133 K1138 R1139	I1131-Y1135 WeakPolarHBondContact O-CB 3.47Å; I1131-Y1135 PolarHBondContact O-N 2.86Å; V1132-Y1135 WeakPolarHBondContact O-CB 3.02Å; V1132-Y1135 PolarHBondContact O-N 2.78Å; V1132-Y1135 VanDerWaalsContact O-N 3.14Å; V1133-Y1135 VanDerWaalsContact C-N 3.31Å; V1133-Y1135 PolarHBondContact O-N 3.31Å; Y1135-K1138 VanDerWaalsContact O-CB 3.28Å; Y1135-K1138 WeakPolarHBondContact O-CB 3.47Å; Y1135-K1138 PolarHBondContact O-N 2.91Å; Y1135-K1138 VanDerWaalsContact O-N 3.15Å; Y1135-R1139 PolarHBondContact O-N 2.93Å
1136	F	60.6	Low	58.7	Low	126 Å²	126	103.4 Å²	103.4	55%	0.553	55%	0.547	S	S	*	.	H	α-helix	trans	-70.5	-33.6	176.3	-81.5	-73	0	0	0	112.8	V1132 V1133 K1138 R1139 G1140	V1132-F1136 HydrophobicContact CG1-CD2 3.53Å; V1132-F1136 HydrophobicContact CG1-CE2 3.55Å; V1132-F1136 VanDerWaalsContact O-CD2 3.27Å; V1132-F1136 WeakPolarHBondContact O-CD2 3.46Å; V1132-F1136 PolarHBondContact O-N 2.7Å; V1133-F1136 PolarHBondContact O-N 3.37Å; F1136-K1138 PolarHBondContact O-N 2.92Å; F1136-R1139 PolarHBondContact O-N 3.31Å; F1136-G1140 PolarHBondContact O-N 2.78Å
1137	C	57.8	Low	57.9	Low	49 Å²	49	104.5 Å²	104.5	33%	0.331	56%	0.562	S	S	.	*	H	α-helix	trans	-59.1	-32.2	169.1	-75.1	0	0	0	0	111.9	V1133 I1141	V1133-C1137 WeakPolarHBondContact O-CB 3.49Å; V1133-C1137 PolarHBondContact O-N 2.93Å; V1133-C1137 PolarHBondContact O-SG 3.06Å; C1137-I1141 VanDerWaalsContact O-CD1 3.27Å; C1137-I1141 WeakPolarHBondContact O-CD1 3.42Å; C1137-I1141 VanDerWaalsContact O-CG1 3.32Å; C1137-I1141 WeakPolarHBondContact O-CG1 3.22Å
1138	K	50.2	Low	56.7	Low	165 Å²	165	108 Å²	108	72%	0.717	59%	0.586	S	S	*	*	H	α-helix	trans	-67.8	-36.4	174	-162.7	-176.4	179.7	-175	0	112.2	C1134 Y1135 F1136	C1134-K1138 PolarHBondContact O-N 3.01Å; Y1135-K1138 VanDerWaalsContact O-CB 3.28Å; Y1135-K1138 WeakPolarHBondContact O-CB 3.47Å; Y1135-K1138 PolarHBondContact O-N 2.91Å; Y1135-K1138 VanDerWaalsContact O-N 3.15Å; F1136-K1138 PolarHBondContact O-N 2.92Å
1139	R	51.7	Low	55.8	Low	169 Å²	169	108 Å²	108	64%	0.638	59%	0.587	S	S	*	*	H	α-helix	trans	-82.1	-34.3	-178.3	-122.3	-178.9	-177.7	-178.9	0.6	113.3	Y1135 F1136 I1141 M1142	Y1135-R1139 PolarHBondContact O-N 2.93Å; F1136-R1139 PolarHBondContact O-N 3.31Å; R1139-I1141 PolarHBondContact O-N 3.41Å; R1139-M1142 PolarHBondContact O-N 3.2Å; R1139-M1142 VanDerWaalsContact O-N 3.09Å
1140	G	47.8	Very low	54.7	Low	54 Å²	54	112.5 Å²	112.5	56%	0.557	60%	0.597	S	S	*	*	H	α-helix	trans	-64	-22	176.9	0	0	0	0	0	114	F1136 M1142	F1136-G1140 PolarHBondContact O-N 2.78Å; G1140-M1142 PolarHBondContact O-N 2.92Å
1141	I	49.3	Very low	54	Low	146 Å²	146	115.9 Å²	115.9	75%	0.749	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-16.6	175.2	-67	164.8	0	0	0	112	C1137 R1139	C1137-I1141 VanDerWaalsContact O-CD1 3.27Å; C1137-I1141 WeakPolarHBondContact O-CD1 3.42Å; C1137-I1141 VanDerWaalsContact O-CG1 3.32Å; C1137-I1141 WeakPolarHBondContact O-CG1 3.22Å; R1139-I1141 PolarHBondContact O-N 3.41Å
1142	M	41.9	Very low	53.3	Low	152 Å²	152	113.6 Å²	113.6	75%	0.749	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-9.6	-176	-110.5	-167.3	82	0	0	115.3	R1139 G1140	R1139-M1142 PolarHBondContact O-N 3.2Å; R1139-M1142 VanDerWaalsContact O-N 3.09Å; G1140-M1142 PolarHBondContact O-N 2.92Å
1143	F	39	Very low	52.8	Low	177 Å²	177	112.2 Å²	112.2	78%	0.776	61%	0.608	S	S	*	*	S	Bend	trans	-138	79.7	-175.2	-87.3	-86	0	0	0	110.7
1144	C	38.9	Very low	52.3	Low	114 Å²	114	117.6 Å²	117.6	77%	0.77	62%	0.622	S	S	*	*			trans	172.7	121.5	144.2	-97	0	0	0	0	108.8
1145	G	38.6	Very low	52.3	Low	66 Å²	66	119.8 Å²	119.8	68%	0.68	63%	0.629	S	S	*	*			trans	-70.3	149	-178	0	0	0	0	0	114.4
1146	D	44.6	Very low	52.4	Low	154 Å²	154	118.5 Å²	118.5	82%	0.824	63%	0.626	S	S	*	*	S	Bend	trans	22.2	109.3	144.3	-52.3	-23.2	0	0	0	115.8
1147	S	55.8	Low	52.5	Low	115 Å²	115	116.6 Å²	116.6	80%	0.804	63%	0.628	S	S	*	*	S	Bend		-174.5	26.9	55.7	32.8	0	0	0	0	112.4
1148	V	47	Very low	53.1	Low	126 Å²	126	117.4 Å²	117.4	76%	0.764	63%	0.631	S	S	*	*	S	Bend	trans	-111.4	11.4	174.5	-172.5	0	0	0	0	112.5
1149	L	52.4	Low	54.2	Low	95 Å²	95	113.3 Å²	113.3	50%	0.497	62%	0.617	S	S	.	*	H	α-helix	trans	-89.3	-3.6	-166.1	-94.2	147	0	0	0	117.3	T1152 G1153	L1149-T1152 WeakPolarHBondContact CA-OG1 3.43Å; L1149-T1152 VanDerWaalsContact CD2-OG1 3.25Å; L1149-T1152 WeakPolarHBondContact CD2-OG1 3.48Å; L1149-T1152 PolarHBondContact O-OG1 3.44Å; L1149-G1153 PolarHBondContact O-N 2.92Å
1150	Y	51.1	Low	54.9	Low	204 Å²	204	113.5 Å²	113.5	80%	0.8	62%	0.617	S	S	*	*	H	α-helix	trans	-71.5	-38	-179.1	-145	-91.6	0	0	0	112.3	W1154	Y1150-W1154 PolarHBondContact O-N 3.47Å
1151	V	58.7	Low	55.9	Low	105 Å²	105	117.6 Å²	117.6	64%	0.636	62%	0.617	S	S	*	*	H	α-helix	trans	-74.6	-42	178	-178.5	0	0	0	0	110.9	W1154 I1155	V1151-W1154 PolarHBondContact O-N 3.35Å; V1151-I1155 HydrophobicContact CG1-CD1 4.01Å; V1151-I1155 VanDerWaalsContact O-CG1 3.32Å; V1151-I1155 WeakPolarHBondContact O-CG1 3.43Å; V1151-I1155 PolarHBondContact O-N 2.82Å; V1151-I1155 VanDerWaalsContact O-N 3.13Å
1152	T	57.4	Low	57	Low	53 Å²	53	114 Å²	114	33%	0.325	60%	0.602	S	S	.	*	H	α-helix	trans	-68.9	-40.7	179.5	56.5	0	0	0	0	111.4	L1149 W1154 I1155 F1156	L1149-T1152 WeakPolarHBondContact CA-OG1 3.43Å; L1149-T1152 VanDerWaalsContact CD2-OG1 3.25Å; L1149-T1152 WeakPolarHBondContact CD2-OG1 3.48Å; L1149-T1152 PolarHBondContact O-OG1 3.44Å; T1152-W1154 VanDerWaalsContact C-N 3.33Å; T1152-W1154 PolarHBondContact O-N 2.87Å; T1152-I1155 PolarHBondContact O-N 3.33Å; T1152-F1156 WeakPolarHBondContact O-CD2 3.24Å; T1152-F1156 PolarHBondContact O-N 3.33Å
1153	G	60.6	Low	58.5	Low	32 Å²	32	108.1 Å²	108.1	33%	0.33	57%	0.573	S	S	.	*	H	α-helix	trans	-59.8	-39.8	175.1	0	0	0	0	0	113.2	L1149 F1156 C1157	L1149-G1153 PolarHBondContact O-N 2.92Å; G1153-F1156 PolarHBondContact O-N 3.39Å; G1153-C1157 PolarHBondContact O-N 2.85Å
1154	W	62.3	Low	60	Low	178 Å²	178	103.6 Å²	103.6	67%	0.674	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-44	176.5	-132.2	81.4	0	0	0	112.1	Y1150 V1151 T1152 F1156 C1157 V1158	Y1150-W1154 PolarHBondContact O-N 3.47Å; V1151-W1154 PolarHBondContact O-N 3.35Å; T1152-W1154 VanDerWaalsContact C-N 3.33Å; T1152-W1154 PolarHBondContact O-N 2.87Å; W1154-F1156 VanDerWaalsContact C-N 3.33Å; W1154-F1156 PolarHBondContact O-N 3.28Å; W1154-C1157 PolarHBondContact O-N 3.35Å; W1154-V1158 HydrophobicContact CE3-CG2 3.81Å; W1154-V1158 HydrophobicContact CZ3-CG2 3.88Å; W1154-V1158 WeakPolarHBondContact O-CG2 3.39Å; W1154-V1158 PolarHBondContact O-N 3.25Å
1155	I	68	Low	61.5	Low	93 Å²	93	105.3 Å²	105.3	48%	0.477	55%	0.55	S	S	.	.	H	α-helix	trans	-59.4	-44.1	175.3	-68	166.6	0	0	0	110.5	V1151 T1152 V1158 I1159	V1151-I1155 HydrophobicContact CG1-CD1 4.01Å; V1151-I1155 VanDerWaalsContact O-CG1 3.32Å; V1151-I1155 WeakPolarHBondContact O-CG1 3.43Å; V1151-I1155 PolarHBondContact O-N 2.82Å; V1151-I1155 VanDerWaalsContact O-N 3.13Å; T1152-I1155 PolarHBondContact O-N 3.33Å; I1155-V1158 PolarHBondContact O-N 3.29Å; I1155-I1159 HydrophobicContact CG2-CD1 3.74Å; I1155-I1159 HydrophobicContact CG2-CG1 4.44Å; I1155-I1159 VanDerWaalsContact O-CG1 3.26Å; I1155-I1159 WeakPolarHBondContact O-CG1 3.32Å; I1155-I1159 PolarHBondContact O-N 2.88Å
1156	F	66.1	Low	63.2	Low	115 Å²	115	106 Å²	106	50%	0.504	54%	0.537	S	S	.	.	H	α-helix	trans	-66.4	-37.1	177.9	-79.9	-66.3	0	0	0	113.3	T1152 G1153 W1154 I1159 R1160	T1152-F1156 WeakPolarHBondContact O-CD2 3.24Å; T1152-F1156 PolarHBondContact O-N 3.33Å; G1153-F1156 PolarHBondContact O-N 3.39Å; W1154-F1156 VanDerWaalsContact C-N 3.33Å; W1154-F1156 PolarHBondContact O-N 3.28Å; F1156-I1159 PolarHBondContact O-N 3.06Å; F1156-R1160 WeakPolarHBondContact O-CB 3.27Å; F1156-R1160 PolarHBondContact O-N 3.26Å
1157	C	64.2	Low	64.5	Low	86 Å²	86	100.9 Å²	100.9	58%	0.581	51%	0.51	S	S	*	.	H	α-helix	trans	-64.4	-42.1	173.8	-91.5	0	0	0	0	112.3	G1153 W1154 R1160 Y1161	G1153-C1157 PolarHBondContact O-N 2.85Å; W1154-C1157 PolarHBondContact O-N 3.35Å; C1157-R1160 PolarHBondContact O-N 3.39Å; C1157-Y1161 WeakPolarHBondContact O-CB 3.39Å; C1157-Y1161 PolarHBondContact O-N 3Å
1158	V	70.1	Confident	65.1	Low	67 Å²	67	101.4 Å²	101.4	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-44.4	175.8	174.9	0	0	0	0	110.7	W1154 I1155 R1160 Y1161 V1162	W1154-V1158 HydrophobicContact CE3-CG2 3.81Å; W1154-V1158 HydrophobicContact CZ3-CG2 3.88Å; W1154-V1158 WeakPolarHBondContact O-CG2 3.39Å; W1154-V1158 PolarHBondContact O-N 3.25Å; I1155-V1158 PolarHBondContact O-N 3.29Å; V1158-R1160 VanDerWaalsContact C-N 3.34Å; V1158-R1160 PolarHBondContact O-N 3.09Å; V1158-Y1161 PolarHBondContact O-N 3.07Å; V1158-V1162 HydrophobicContact CG1-CG2 4.4Å; V1158-V1162 VanDerWaalsContact O-CG2 3.31Å; V1158-V1162 WeakPolarHBondContact O-CG2 3.34Å; V1158-V1162 PolarHBondContact O-N 3.15Å
1159	I	72.3	Confident	66	Low	79 Å²	79	104.4 Å²	104.4	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-58.8	-45.3	175.9	-70.5	167.2	0	0	0	110.8	I1155 F1156 V1162 L1163	I1155-I1159 HydrophobicContact CG2-CD1 3.74Å; I1155-I1159 HydrophobicContact CG2-CG1 4.44Å; I1155-I1159 VanDerWaalsContact O-CG1 3.26Å; I1155-I1159 WeakPolarHBondContact O-CG1 3.32Å; I1155-I1159 PolarHBondContact O-N 2.88Å; F1156-I1159 PolarHBondContact O-N 3.06Å; I1159-V1162 PolarHBondContact O-N 3.44Å; I1159-L1163 HydrophobicContact CG2-CD1 3.84Å; I1159-L1163 WeakPolarHBondContact O-CB 3.48Å; I1159-L1163 PolarHBondContact O-N 3.26Å
1160	R	66.9	Low	66.8	Low	173 Å²	173	102.4 Å²	102.4	65%	0.653	49%	0.485	S	S	*	.	H	α-helix	trans	-60.6	-46.3	176.1	179.3	179.8	168.7	177.2	-4.4	111.8	F1156 C1157 V1158 V1162 L1163 V1164	F1156-R1160 WeakPolarHBondContact O-CB 3.27Å; F1156-R1160 PolarHBondContact O-N 3.26Å; C1157-R1160 PolarHBondContact O-N 3.39Å; V1158-R1160 VanDerWaalsContact C-N 3.34Å; V1158-R1160 PolarHBondContact O-N 3.09Å; R1160-V1162 VanDerWaalsContact C-N 3.34Å; R1160-V1162 PolarHBondContact O-N 2.96Å; R1160-L1163 PolarHBondContact O-N 3.11Å; R1160-V1164 WeakPolarHBondContact O-CG2 3.45Å; R1160-V1164 PolarHBondContact O-N 2.95Å
1161	Y	69.5	Low	67.6	Low	139 Å²	139	98.7 Å²	98.7	55%	0.545	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-44.4	179.4	179.6	-95.3	0	0	0	111.7	C1157 V1158 R1165	C1157-Y1161 WeakPolarHBondContact O-CB 3.39Å; C1157-Y1161 PolarHBondContact O-N 3Å; V1158-Y1161 PolarHBondContact O-N 3.07Å; Y1161-R1165 HydrophobicContact CE1-CG 4.15Å; Y1161-R1165 WeakPolarHBondContact O-CG 3.37Å; Y1161-R1165 PolarHBondContact O-N 2.92Å; Y1161-R1165 PolarHBondContact OH-NE 3Å; Y1161-R1165 PolarHBondContact OH-NH2 3.36Å
1162	V	72.1	Confident	67.5	Low	72 Å²	72	96.8 Å²	96.8	44%	0.436	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-42.3	177.1	173.7	0	0	0	0	111.1	V1158 I1159 R1160 R1165 I1166	V1158-V1162 HydrophobicContact CG1-CG2 4.4Å; V1158-V1162 VanDerWaalsContact O-CG2 3.31Å; V1158-V1162 WeakPolarHBondContact O-CG2 3.34Å; V1158-V1162 PolarHBondContact O-N 3.15Å; I1159-V1162 PolarHBondContact O-N 3.44Å; R1160-V1162 VanDerWaalsContact C-N 3.34Å; R1160-V1162 PolarHBondContact O-N 2.96Å; V1162-R1165 WeakPolarHBondContact O-CB 3.36Å; V1162-R1165 PolarHBondContact O-N 3.4Å; V1162-I1166 HydrophobicContact CG1-CD1 3.86Å; V1162-I1166 HydrophobicContact CG1-CG1 4.49Å; V1162-I1166 WeakPolarHBondContact O-CG1 3.42Å; V1162-I1166 PolarHBondContact O-N 3.49Å
1163	L	72.3	Confident	67.6	Low	28 Å²	28	99.3 Å²	99.3	15%	0.147	47%	0.468	C	S	.	.	H	α-helix	trans	-62.7	-44.4	178.8	-92	164.6	0	0	0	113.5	L1130 I1159 R1160 R1165 I1166 L1167	L1130-L1163 HydrophobicContact CB-CD2 4.44Å; L1130-L1163 HydrophobicContact CD1-CD2 3.6Å; L1130-L1163 HydrophobicContact CD2-CD1 4.18Å; L1130-L1163 HydrophobicContact CD2-CD2 3.24Å; L1130-L1163 HydrophobicContact CD2-CG 4.35Å; L1130-L1163 HydrophobicContact CG-CD2 3.89Å; I1159-L1163 HydrophobicContact CG2-CD1 3.84Å; I1159-L1163 WeakPolarHBondContact O-CB 3.48Å; I1159-L1163 PolarHBondContact O-N 3.26Å; R1160-L1163 PolarHBondContact O-N 3.11Å; L1163-R1165 VanDerWaalsContact C-N 3.32Å; L1163-R1165 PolarHBondContact O-N 3.49Å; L1163-I1166 PolarHBondContact O-N 3.43Å; L1163-L1167 WeakPolarHBondContact O-CG 3.34Å; L1163-L1167 PolarHBondContact O-N 2.98Å
1164	V	71.5	Confident	67.6	Low	82 Å²	82	105.4 Å²	105.4	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-62.9	-40.4	176.9	173	0	0	0	0	110.8	R1160 I1166 L1167 F1168	R1160-V1164 WeakPolarHBondContact O-CG2 3.45Å; R1160-V1164 PolarHBondContact O-N 2.95Å; V1164-I1166 PolarHBondContact O-N 3.05Å; V1164-L1167 PolarHBondContact O-N 3.2Å; V1164-F1168 WeakPolarHBondContact O-CB 3.5Å; V1164-F1168 PolarHBondContact O-N 2.62Å
1165	R	71.1	Confident	67.3	Low	149 Å²	149	105 Å²	105	56%	0.562	48%	0.479	S	S	*	.	H	α-helix	trans	-62.9	-39.5	175.1	-78.1	-79.1	-156	-173.9	5.7	112.5	Y1161 V1162 L1163 R1169	Y1161-R1165 HydrophobicContact CE1-CG 4.15Å; Y1161-R1165 WeakPolarHBondContact O-CG 3.37Å; Y1161-R1165 PolarHBondContact O-N 2.92Å; Y1161-R1165 PolarHBondContact OH-NE 3Å; Y1161-R1165 PolarHBondContact OH-NH2 3.36Å; V1162-R1165 WeakPolarHBondContact O-CB 3.36Å; V1162-R1165 PolarHBondContact O-N 3.4Å; L1163-R1165 VanDerWaalsContact C-N 3.32Å; L1163-R1165 PolarHBondContact O-N 3.49Å; R1165-R1169 PolarHBondContact O-N 3.45Å
1166	I	73.7	Confident	66.4	Low	81 Å²	81	104.6 Å²	104.6	42%	0.415	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-48	177	-69.3	166.9	0	0	0	110.3	V1162 L1163 V1164 F1168 R1169 L1170	V1162-I1166 HydrophobicContact CG1-CD1 3.86Å; V1162-I1166 HydrophobicContact CG1-CG1 4.49Å; V1162-I1166 WeakPolarHBondContact O-CG1 3.42Å; V1162-I1166 PolarHBondContact O-N 3.49Å; L1163-I1166 PolarHBondContact O-N 3.43Å; V1164-I1166 PolarHBondContact O-N 3.05Å; I1166-F1168 VanDerWaalsContact C-N 3.29Å; I1166-F1168 PolarHBondContact O-N 3.02Å; I1166-R1169 PolarHBondContact O-N 3.16Å; I1166-L1170 HydrophobicContact CG2-CD1 3.79Å; I1166-L1170 HydrophobicContact CG2-CG 4.32Å; I1166-L1170 WeakPolarHBondContact O-CB 3.46Å; I1166-L1170 WeakPolarHBondContact O-CG 3.31Å; I1166-L1170 PolarHBondContact O-N 2.99Å
1167	L	72	Confident	65.1	Low	46 Å²	46	106.8 Å²	106.8	24%	0.241	49%	0.487	C	S	.	.	H	α-helix	trans	-58.7	-41.1	177.4	-73	170	0	0	0	111.9	I1127 L1130 L1163 V1164 L1170 Y1171	I1127-L1167 HydrophobicContact CG1-CD2 4.13Å; I1127-L1167 HydrophobicContact CG2-CD2 4.47Å; L1130-L1167 HydrophobicContact CD1-CD2 4.32Å; L1163-L1167 WeakPolarHBondContact O-CG 3.34Å; L1163-L1167 PolarHBondContact O-N 2.98Å; V1164-L1167 PolarHBondContact O-N 3.2Å; L1167-L1170 PolarHBondContact O-N 3.24Å; L1167-Y1171 WeakPolarHBondContact O-CB 3.47Å; L1167-Y1171 PolarHBondContact O-N 3.29Å
1168	F	66.9	Low	64.2	Low	126 Å²	126	106.8 Å²	106.8	55%	0.553	48%	0.481	S	S	*	.	H	α-helix	trans	-67.2	-38.9	177.7	-163.5	-98.6	0	0	0	112.8	V1164 I1166 Y1171 N1172	V1164-F1168 WeakPolarHBondContact O-CB 3.5Å; V1164-F1168 PolarHBondContact O-N 2.62Å; I1166-F1168 VanDerWaalsContact C-N 3.29Å; I1166-F1168 PolarHBondContact O-N 3.02Å; F1168-Y1171 PolarHBondContact O-N 3.17Å; F1168-N1172 WeakPolarHBondContact CE1-ND2 3.26Å; F1168-N1172 PolarHBondContact O-N 3.3Å; F1168-N1172 VanDerWaalsContact O-N 3.11Å
1169	R	67.3	Low	63	Low	189 Å²	189	107.4 Å²	107.4	71%	0.713	49%	0.488	S	S	*	.	H	α-helix	trans	-66.3	-41.2	174	-78.3	-170	176.2	-157.1	0.2	112.2	R1165 I1166 Y1171 N1172 L1173	R1165-R1169 PolarHBondContact O-N 3.45Å; I1166-R1169 PolarHBondContact O-N 3.16Å; R1169-Y1171 VanDerWaalsContact C-N 3.34Å; R1169-N1172 PolarHBondContact O-N 2.92Å; R1169-L1173 PolarHBondContact O-N 2.96Å
1170	L	69.1	Low	61.2	Low	54 Å²	54	109 Å²	109	28%	0.283	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-39.7	176.8	-74.3	172.1	0	0	0	112.1	F1123 I1166 L1167 L1173 W1174	F1123-L1170 HydrophobicContact CE2-CD1 3.84Å; F1123-L1170 HydrophobicContact CE2-CD2 3.79Å; F1123-L1170 HydrophobicContact CE2-CG 4.32Å; F1123-L1170 HydrophobicContact CZ-CB 4.01Å; F1123-L1170 HydrophobicContact CZ-CD1 3.71Å; F1123-L1170 HydrophobicContact CZ-CD2 3.73Å; F1123-L1170 HydrophobicContact CZ-CG 4Å; I1166-L1170 HydrophobicContact CG2-CD1 3.79Å; I1166-L1170 HydrophobicContact CG2-CG 4.32Å; I1166-L1170 WeakPolarHBondContact O-CB 3.46Å; I1166-L1170 WeakPolarHBondContact O-CG 3.31Å; I1166-L1170 PolarHBondContact O-N 2.99Å; L1167-L1170 PolarHBondContact O-N 3.24Å; L1170-L1173 PolarHBondContact O-N 3.47Å; L1170-W1174 WeakPolarHBondContact O-CB 3.07Å; L1170-W1174 PolarHBondContact O-N 3.39Å
1171	Y	67.1	Low	59.4	Low	125 Å²	125	103.8 Å²	103.8	49%	0.49	49%	0.487	S	S	.	.	H	α-helix	trans	-60.9	-44	172.7	175.4	-102.6	0	0	0	112.1	L1167 F1168 R1169 W1174 R1175	L1167-Y1171 WeakPolarHBondContact O-CB 3.47Å; L1167-Y1171 PolarHBondContact O-N 3.29Å; F1168-Y1171 PolarHBondContact O-N 3.17Å; R1169-Y1171 VanDerWaalsContact C-N 3.34Å; Y1171-W1174 PolarHBondContact O-N 3.23Å; Y1171-R1175 WeakPolarHBondContact O-CB 3.25Å; Y1171-R1175 PolarHBondContact O-N 2.93Å
1172	N	57	Low	57.8	Low	65 Å²	65	101.8 Å²	101.8	35%	0.348	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-39.4	178	-75.6	-25	0	0	0	112.9	F1168 R1169 R1175 T1176	F1168-N1172 WeakPolarHBondContact CE1-ND2 3.26Å; F1168-N1172 PolarHBondContact O-N 3.3Å; F1168-N1172 VanDerWaalsContact O-N 3.11Å; R1169-N1172 PolarHBondContact O-N 2.92Å; N1172-R1175 PolarHBondContact O-N 3.42Å; N1172-T1176 PolarHBondContact O-N 3.37Å; N1172-T1176 PolarHBondContact O-OG1 3Å
1173	L	59	Low	55.9	Low	107 Å²	107	106.7 Å²	106.7	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-62.9	-39.6	172.7	-90.9	152.6	0	0	0	112.3	R1169 L1170 T1176 Y1177	R1169-L1173 PolarHBondContact O-N 2.96Å; L1170-L1173 PolarHBondContact O-N 3.47Å; L1173-T1176 PolarHBondContact O-OG1 3.34Å; L1173-T1176 VanDerWaalsContact O-OG1 3.07Å; L1173-Y1177 WeakPolarHBondContact O-CB 3.37Å; L1173-Y1177 PolarHBondContact O-N 2.94Å; L1173-Y1177 VanDerWaalsContact O-N 3.11Å
1174	W	61.8	Low	53.7	Low	160 Å²	160	113.5 Å²	113.5	61%	0.606	54%	0.544	S	S	*	.	H	α-helix	trans	-66.5	-39.7	175.3	-175.4	75.2	0	0	0	111.6	L1170 Y1171 Y1177 I1178	L1170-W1174 WeakPolarHBondContact O-CB 3.07Å; L1170-W1174 PolarHBondContact O-N 3.39Å; Y1171-W1174 PolarHBondContact O-N 3.23Å; W1174-Y1177 PolarHBondContact O-N 3.45Å; W1174-I1178 HydrophobicContact CD2-CD1 3.72Å; W1174-I1178 VanDerWaalsContact CE2-CD1 3.45Å; W1174-I1178 HydrophobicContact CE3-CD1 3.88Å; W1174-I1178 HydrophobicContact CG-CD1 4.5Å; W1174-I1178 HydrophobicContact CH2-CD1 3.57Å; W1174-I1178 HydrophobicContact CZ2-CD1 3.39Å; W1174-I1178 HydrophobicContact CZ3-CD1 3.8Å; W1174-I1178 WeakPolarHBondContact O-CG1 3.39Å; W1174-I1178 PolarHBondContact O-N 2.99Å; W1174-I1178 VanDerWaalsContact O-N 3.13Å
1175	R	55.2	Low	51.7	Low	168 Å²	168	120.2 Å²	120.2	63%	0.634	56%	0.56	S	S	*	*	H	α-helix	trans	-64.8	-43.8	177.4	-169.4	-177.3	-177.6	-162.5	0.8	112.5	Y1171 N1172 S1179	Y1171-R1175 WeakPolarHBondContact O-CB 3.25Å; Y1171-R1175 PolarHBondContact O-N 2.93Å; N1172-R1175 PolarHBondContact O-N 3.42Å; R1175-S1179 PolarHBondContact O-N 3.26Å
1176	T	49.3	Very low	49.4	Very low	85 Å²	85	122.7 Å²	122.7	52%	0.521	58%	0.576	S	S	.	*	H	α-helix	trans	-67.2	-38.5	176.4	47	0	0	0	0	111.7	N1172 L1173 I1178 S1179 D1180	N1172-T1176 PolarHBondContact O-N 3.37Å; N1172-T1176 PolarHBondContact O-OG1 3Å; L1173-T1176 PolarHBondContact O-OG1 3.34Å; L1173-T1176 VanDerWaalsContact O-OG1 3.07Å; T1176-I1178 PolarHBondContact O-N 2.93Å; T1176-S1179 VanDerWaalsContact O-CB 3.29Å; T1176-S1179 WeakPolarHBondContact O-CB 3.32Å; T1176-S1179 PolarHBondContact O-N 3.42Å; T1176-S1179 VanDerWaalsContact O-N 3.11Å; T1176-D1180 PolarHBondContact O-N 2.95Å
1177	Y	38.3	Very low	47	Very low	161 Å²	161	124.8 Å²	124.8	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-66.9	-31.8	179	-160	-94.6	0	0	0	113.9	L1173 W1174 S1179 D1180 C1181	L1173-Y1177 WeakPolarHBondContact O-CB 3.37Å; L1173-Y1177 PolarHBondContact O-N 2.94Å; L1173-Y1177 VanDerWaalsContact O-N 3.11Å; W1174-Y1177 PolarHBondContact O-N 3.45Å; Y1177-S1179 VanDerWaalsContact C-N 3.33Å; Y1177-D1180 PolarHBondContact O-N 3.42Å; Y1177-C1181 PolarHBondContact O-N 3.27Å
1178	I	44.8	Very low	44.6	Very low	87 Å²	87	131.9 Å²	131.9	45%	0.446	63%	0.625	S	S	.	*	H	α-helix	trans	-68.2	-34.8	172.5	-72.7	171.2	0	0	0	111.2	W1174 T1176 C1181	W1174-I1178 HydrophobicContact CD2-CD1 3.72Å; W1174-I1178 VanDerWaalsContact CE2-CD1 3.45Å; W1174-I1178 HydrophobicContact CE3-CD1 3.88Å; W1174-I1178 HydrophobicContact CG-CD1 4.5Å; W1174-I1178 HydrophobicContact CH2-CD1 3.57Å; W1174-I1178 HydrophobicContact CZ2-CD1 3.39Å; W1174-I1178 HydrophobicContact CZ3-CD1 3.8Å; W1174-I1178 WeakPolarHBondContact O-CG1 3.39Å; W1174-I1178 PolarHBondContact O-N 2.99Å; W1174-I1178 VanDerWaalsContact O-N 3.13Å; T1176-I1178 PolarHBondContact O-N 2.93Å; I1178-C1181 PolarHBondContact O-N 3.4Å
1179	S	44.8	Very low	42.6	Very low	79 Å²	79	133.1 Å²	133.1	55%	0.552	64%	0.643	S	S	*	*	H	α-helix	trans	-62.7	-44.2	174.6	-167.7	0	0	0	0	111.2	R1175 T1176 Y1177 S1182	R1175-S1179 PolarHBondContact O-N 3.26Å; T1176-S1179 VanDerWaalsContact O-CB 3.29Å; T1176-S1179 WeakPolarHBondContact O-CB 3.32Å; T1176-S1179 PolarHBondContact O-N 3.42Å; T1176-S1179 VanDerWaalsContact O-N 3.11Å; Y1177-S1179 VanDerWaalsContact C-N 3.33Å; S1179-S1182 PolarHBondContact O-N 2.91Å; S1179-S1182 PolarHBondContact O-OG 3.46Å
1180	D	35.4	Very low	40.6	Very low	114 Å²	114	130.3 Å²	130.3	61%	0.61	64%	0.642	S	S	*	*	H	α-helix	trans	-72.9	-29.9	-179.9	-73.4	-15.5	0	0	0	113.5	T1176 Y1177 S1182 Q1183	T1176-D1180 PolarHBondContact O-N 2.95Å; Y1177-D1180 PolarHBondContact O-N 3.42Å; D1180-S1182 PolarHBondContact O-N 3.35Å; D1180-Q1183 PolarHBondContact O-N 3.39Å
1181	C	30	Very low	38.5	Very low	63 Å²	63	133.3 Å²	133.3	43%	0.426	67%	0.667	S	S	.	*	H	α-helix	trans	-65.4	-16.4	175.9	-91.4	0	0	0	0	113.8	Y1177 I1178 Q1183	Y1177-C1181 PolarHBondContact O-N 3.27Å; I1178-C1181 PolarHBondContact O-N 3.4Å; C1181-Q1183 VanDerWaalsContact C-N 3.29Å; C1181-Q1183 PolarHBondContact O-N 2.97Å
1182	S	36.2	Very low	36.4	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-17.2	175.5	71.8	0	0	0	0	113.8	S1179 D1180	S1179-S1182 PolarHBondContact O-N 2.91Å; S1179-S1182 PolarHBondContact O-OG 3.46Å; D1180-S1182 PolarHBondContact O-N 3.35Å
1183	Q	30.5	Very low	34.7	Very low	175 Å²	175	140.7 Å²	140.7	82%	0.818	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-9.4	-175.1	-74.1	-164.2	-13.7	0	0	116.5	D1180 C1181	D1180-Q1183 PolarHBondContact O-N 3.39Å; C1181-Q1183 VanDerWaalsContact C-N 3.29Å; C1181-Q1183 PolarHBondContact O-N 2.97Å
1184	M	27.3	Very low	33.2	Very low	171 Å²	171	142.3 Å²	142.3	84%	0.842	72%	0.721	S	S	*	*	S	Bend	trans	-120.7	21.2	-170.3	-101.3	-163.4	178.3	0	0	118
1185	R	28	Very low	31.3	Very low	222 Å²	222	139.3 Å²	139.3	84%	0.838	72%	0.724	S	S	*	*			trans	-123.8	48.3	171.4	-73.7	-170.5	-176.2	178.5	3.4	114.4
1186	F	24.9	Very low	29.9	Very low	202 Å²	202	137 Å²	137	89%	0.886	73%	0.729	S	S	*	*	S	Bend	trans	-95.2	138.7	140.2	-84.4	-89.2	0	0	0	107.4
1187	C	22.6	Very low	28.5	Very low	125 Å²	125	138.9 Å²	138.9	85%	0.845	74%	0.74	S	S	*	*	S	Bend	trans	86.8	77.1	-179.1	-54.3	0	0	0	0	117.1
1188	K	21.6	Very low	27.8	Very low	195 Å²	195	138.1 Å²	138.1	85%	0.848	75%	0.753	S	S	*	*			trans	161.2	97.8	130.5	-93.2	174.9	177	175.6	0	110.5
1189	V	25.3	Very low	26.7	Very low	152 Å²	152	138.7 Å²	138.7	92%	0.921	77%	0.765	S	S	*	*			trans	-141.6	125.4	135.8	-179.1	0	0	0	0	107.5
1190	N	25.2	Very low	25.6	Very low	129 Å²	129	142.3 Å²	142.3	69%	0.69	78%	0.777	S	S	*	*			trans	-69.3	149.1	-165.6	-75.1	-29	0	0	0	114.4	K1192	N1190-K1192 PolarHBondContact O-N 3.25Å
1191	S	24.3	Very low	25	Very low	117 Å²	117	142.3 Å²	142.3	82%	0.818	79%	0.786	S	S	*	*			trans	-44.3	112.2	147	55	0	0	0	0	111.5
1192	K	22.1	Very low	24.6	Very low	189 Å²	189	147.1 Å²	147.1	82%	0.822	81%	0.808	S	S	*	*			trans	-136.2	98.4	155	-83.7	-171.8	176.6	-177.1	0	106.7	N1190	N1190-K1192 PolarHBondContact O-N 3.25Å
1193	N	23.3	Very low	24	Very low	157 Å²	157	148.8 Å²	148.8	84%	0.84	81%	0.814	S	S	*	*			trans	-179.9	142.4	146.3	-88.9	-14.7	0	0	0	108.5
1194	T	25.6	Very low	23.5	Very low	141 Å²	141	147.1 Å²	147.1	87%	0.865	82%	0.816	S	S	*	*			trans	87	124.3	-173.5	77.3	0	0	0	0	113.6
1195	S	23.3	Very low	23.4	Very low	97 Å²	97	145 Å²	145	68%	0.678	81%	0.813	S	S	*	*			cis	-175.8	154.8	-12	34.8	0	0	0	0	106.4
1196	T	24.4	Very low	23.1	Very low	120 Å²	120	142.7 Å²	142.7	74%	0.736	81%	0.811	S	S	*	*			trans	61.5	110.7	150.4	50.2	0	0	0	0	120.8
1197	T	21.5	Very low	23.2	Very low	123 Å²	123	140.8 Å²	140.8	76%	0.755	81%	0.809	S	S	*	*				30.9	110.1	129.3	54.2	0	0	0	0	119.1
1198	T	23.7	Very low	23.3	Very low	145 Å²	145	138.8 Å²	138.8	89%	0.89	80%	0.796	S	S	*	*				166.4	153.7	108.9	36.1	0	0	0	0	110.7
1199	S	21.5	Very low	23.6	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	80%	0.799	S	S	*	*			trans	-70.9	149.3	-171.2	47.8	0	0	0	0	116
1200	N	21.2	Very low	23.9	Very low	154 Å²	154	142.4 Å²	142.4	82%	0.824	80%	0.801	S	S	*	*			trans	66.4	108	153.2	-68.1	-8.6	0	0	0	119.2
1201	S	23.2	Very low	24.2	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	79%	0.793	S	S	*	*				168.8	142.7	106.9	47.9	0	0	0	0	111.7
1202	N	21.2	Very low	25	Very low	164 Å²	164	139.3 Å²	139.3	88%	0.877	79%	0.787	S	S	*	*			trans	-60.9	128.4	175.4	-70.8	-32.3	0	0	0	111.8
1203	T	23.1	Very low	25.6	Very low	132 Å²	132	134.2 Å²	134.2	81%	0.81	78%	0.775	S	S	*	*			trans	-151.1	106	147	22.8	0	0	0	0	109.7
1204	T	21.3	Very low	26.1	Very low	141 Å²	141	132.9 Å²	132.9	87%	0.865	77%	0.767	S	S	*	*			trans	-68	125.6	161	40.2	0	0	0	0	109.4
1205	V	24.5	Very low	26.6	Very low	127 Å²	127	131.7 Å²	131.7	77%	0.77	76%	0.759	S	S	*	*			trans	-122.1	107.5	164	177	0	0	0	0	108.3
1206	E	20.7	Very low	27	Very low	172 Å²	172	134 Å²	134	80%	0.804	76%	0.759	S	S	*	*			trans	-63.7	132.6	163.9	-65.7	176.7	131	0	0	110.2
1207	I	28.2	Very low	27.3	Very low	163 Å²	163	137.5 Å²	137.5	84%	0.836	76%	0.764	S	S	*	*			trans	-129.2	93.2	147.3	-60.7	-178.3	0	0	0	107.4
1208	S	23.5	Very low	27.8	Very low	82 Å²	82	138.7 Å²	138.7	57%	0.573	76%	0.764	S	S	*	*			trans	-68.9	155	158.6	50	0	0	0	0	110.7
1209	R	29.4	Very low	28.2	Very low	240 Å²	240	136 Å²	136	91%	0.906	75%	0.751	S	S	*	*			trans	131.8	82.9	149.3	-70.7	175.5	-174.7	-175.1	2.6	114.3
1210	L	31.8	Very low	28.6	Very low	183 Å²	183	139.5 Å²	139.5	96%	0.958	76%	0.756	S	S	*	*	S	Bend	trans	-135.3	134.8	141.3	-88.6	161.8	0	0	0	107.3
1211	S	31.1	Very low	28.9	Very low	77 Å²	77	140.5 Å²	140.5	54%	0.538	76%	0.756	S	S	.	*			trans	-74.4	145.6	-150.1	58.3	0	0	0	0	116.7	S1213	S1211-S1213 VanDerWaalsContact C-N 3.31Å; S1211-S1213 PolarHBondContact O-N 3.13Å; S1211-S1213 VanDerWaalsContact O-N 3.16Å
1212	P	40.6	Very low	29.3	Very low	104 Å²	104	142.4 Å²	142.4	68%	0.675	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	0.4	-175.7	-16.9	31.3	0	0	0	117.8	I1214	P1212-I1214 PolarHBondContact O-N 3.42Å
1213	S	33.9	Very low	29.4	Very low	83 Å²	83	146.8 Å²	146.8	58%	0.58	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-15.6	-173	53.3	0	0	0	0	115.2	S1211	S1211-S1213 VanDerWaalsContact C-N 3.31Å; S1211-S1213 PolarHBondContact O-N 3.13Å; S1211-S1213 VanDerWaalsContact O-N 3.16Å
1214	I	35.6	Very low	29.6	Very low	129 Å²	129	144.7 Å²	144.7	66%	0.662	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-28	178.6	-64.4	174.4	0	0	0	111.5	P1212	P1212-I1214 PolarHBondContact O-N 3.42Å
1215	V	35	Very low	29.8	Very low	116 Å²	116	145.6 Å²	145.6	70%	0.703	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-26.9	179.7	-178.9	0	0	0	0	111.8
1216	Q	32.6	Very low	30	Very low	146 Å²	146	147.5 Å²	147.5	68%	0.682	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-10.9	-176.1	-102.7	-179.9	-16.3	0	0	116.1
1217	K	29.8	Very low	30.4	Very low	193 Å²	193	147.6 Å²	147.6	84%	0.839	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-14	177.2	-94.4	-175.9	176	-179.4	0	114.9
1218	I	31.6	Very low	30.6	Very low	147 Å²	147	150.7 Å²	150.7	75%	0.754	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-13.1	179	-59.5	177.3	0	0	0	111.2	Q1220	I1218-Q1220 PolarHBondContact O-N 3.28Å
1219	S	32.8	Very low	31	Very low	89 Å²	89	154.2 Å²	154.2	62%	0.622	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	19.3	-177	83.3	0	0	0	0	115.9
1220	Q	28.9	Very low	31.1	Very low	173 Å²	173	149.6 Å²	149.6	81%	0.808	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	8.9	-175.8	-87.6	-167.1	-12.8	0	0	117.6	I1218	I1218-Q1220 PolarHBondContact O-N 3.28Å
1221	Q	29.1	Very low	31	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.822	77%	0.766	S	S	*	*	S	Bend	trans	-132.6	126.2	167.3	-74.5	-177	-22.6	0	0	110.8
1222	N	30.2	Very low	31	Very low	154 Å²	154	151.9 Å²	151.9	82%	0.824	78%	0.779	S	S	*	*			trans	89.1	62.7	171.8	-56.2	-15.6	0	0	0	117.3
1223	R	23.7	Very low	30.4	Very low	255 Å²	255	154.9 Å²	154.9	96%	0.962	79%	0.785	S	S	*	*			trans	-82.2	97.3	136.4	-81	-176.2	174.5	178.3	-1.2	109.1
1224	S	27.7	Very low	30.2	Very low	88 Å²	88	159.7 Å²	159.7	62%	0.615	80%	0.799	S	S	*	*	S	Bend	trans	-177.3	113.3	152.9	40.7	0	0	0	0	111.1
1225	N	26.1	Very low	29.8	Very low	160 Å²	160	161.9 Å²	161.9	86%	0.856	81%	0.809	S	S	*	*			trans	45.8	91.5	147.2	-61	-16.5	0	0	0	118.2
1226	I	28.7	Very low	29.4	Very low	167 Å²	167	165.5 Å²	165.5	86%	0.856	82%	0.817	S	S	*	*			trans	-127.6	112.5	141.5	-62	-178.5	0	0	0	108.4
1227	H	28	Very low	29.2	Very low	174 Å²	174	167.1 Å²	167.1	81%	0.806	83%	0.828	S	S	*	*			trans	10.8	116.5	167.2	-78.6	-81.1	0	0	0	121.3
1228	I	33.5	Very low	29.1	Very low	229 Å²	229	164.7 Å²	164.7	100%	1.174	83%	0.827	S	S	*	*			trans	-12.9	0	137.3	-57.5	170.2	0	0	0	114.7

Retrieved 1,228 of 1,228 residues in 460 ms (Link to these results)

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