A0A5K4F5I5_SCHMA Loading...

Subtilisin-like protease

AlphaFold DB , UniProt , Accession A0A5K4F5I5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,228 aa.

						>A0A5K4F5I5_SCHMA|A0A5K4F5I5
MNLSSVLITFLACSPTLGFSMLSYEYVSSVVETEFIISYYEHSCAQSRHRFLKSILNSFPLNYSIMERWYPPSNAKEKKSDFDVIKIFNLSRMDVSNFIQYLSNVSQIKSVSPQKQINRVLLNYDINDGEFLHNSSRLDSRRNLKLFGNSQRYSPGTLPLDPLKQPWKLLQAEYAWSRGLCGNGVRVGIFDTGLAPSDHKHFSLSNIIERTDWTVDITNRSYSDDSIEALDRHGHGTYVTGLIAAQNPNLYYSKFIHSFNKHDDSTCPPWGFAPRADLFIFRVFTDTQISYTSWFLDAFNYAISRKLHVINLSIGGPDFLDKPFVDKVLELSANGILLVSAIGNDGPLFGTLNNPADQMDVLGVGGVDALGRVARFSSRGMTGWELPAGYGRVKPDIVTFSTGVISSNLDGKCRVLSGTSVASPIVTGVVSLLINAALNHNANLINHENGSLYHMNIDNYPFVPVNPISIKQALIASANQLNSVRVFGTNSIKWLQETDQSSMFEQGAGLVNLQSALEIVQRMKPQASLMPSYLDLTQCPYMWPYCSQPLYSSMQPIIINITILNSMDVVGRITKPPIYHPYINYNGHRLHVGISYSQYLWPWVGYLAVYLSVTPDSIDDIIPSSRFSGVAEGYVSLVVESYDTVRNLSLNTNLRLPIKANIVPIPHRSKRILFDQFHSIHYPSGFIPRDDLTRTKEPLDWLGDHIHTNFLDLYTHLRRKSYFIEVLTSTFDCFNASNYGTFLIIDPEEEFFPYEIEKLFVDVTEKGLSLIVFADWYNTSVMQSLRFYDTNTRRLWTPDTGGSNLPALNDLLRPFNIEFGDSVFSGNYVIGHRTVAYHSGSSLRKFPNRAIANHTGRTVLLKANLVDIGNQFIQHDFMFLKSESVTSLESDKILGNSEPNLRLKPIIDKDPTPTILGLWTPIVENVISEMGRLSIYGDSDCLSSTHLNSNCFWLLDALLQFSTSSMGRIPRILIEQMFTPNTEVWIDSSLTAPLRAKNSQLNLYSNVIRKEWSLSTLNTSYLPIEAYYSVKSCYIAPKASILIDNGKPNESFYHPQNLLLYPVELYNPSKQLYTTHYCHSSISILPSNKNLFQIIRPKLLLQSINDFIQLDLYITFKSHKFNFICIIILLIVVCYFCKRGIMFCGDSVLYVTGWIFCMIRYVLVRILFRLYNLWRTYISDCSQMRFCKVNSKNTSTTTSNSNTTVEISRLSPSIVQKISQQNRSNIHI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	33.9	Very low	29.2	Very low	236 Å²	236	160.9 Å²	160.9	100%	1.163	88%	0.876	S	S	*	*				0	99.7	0	-66.1	173.6	172.3	0	0	105.5
2	N	37.2	Very low	28.8	Very low	155 Å²	155	155.4 Å²	155.4	83%	0.829	87%	0.868	S	S	*	*				-139.8	119.7	51.6	-73.2	-27.7	0	0	0	110.8
3	L	28.7	Very low	28.4	Very low	183 Å²	183	152.4 Å²	152.4	96%	0.958	86%	0.862	S	S	*	*			trans	-116.9	79.2	171.5	-105.2	140.3	0	0	0	105.9
4	S	30.7	Very low	28.1	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	85%	0.847	S	S	*	*			trans	-162.8	70.4	176.6	61.8	0	0	0	0	111.4
5	S	31	Very low	28	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	84%	0.841	S	S	*	*			trans	-158.8	33.3	160.9	69.3	0	0	0	0	113.3
6	V	30	Very low	28.1	Very low	143 Å²	143	143.8 Å²	143.8	87%	0.867	83%	0.83	S	S	*	*			trans	-114.1	71.8	169.9	-173.2	0	0	0	0	108.2
7	L	27.3	Very low	28.6	Very low	163 Å²	163	141.2 Å²	141.2	85%	0.853	81%	0.813	S	S	*	*			trans	-156.9	140.3	165.2	-137.3	78.7	0	0	0	106.4
8	I	27.8	Very low	29.2	Very low	158 Å²	158	135.7 Å²	135.7	81%	0.81	79%	0.791	S	S	*	*	S	Bend	trans	93.9	75.3	-178.9	-45.1	157	0	0	0	114.2
9	T	24.9	Very low	30.3	Very low	131 Å²	131	131.4 Å²	131.4	80%	0.804	76%	0.762	S	S	*	*			trans	-170.3	25.6	139.7	13.6	0	0	0	0	115
10	F	26	Very low	31.5	Very low	214 Å²	214	125.1 Å²	125.1	94%	0.939	73%	0.726	S	S	*	*			trans	-108.8	40.2	175.1	-82.4	-77.2	0	0	0	113.7
11	L	24.2	Very low	32.9	Very low	166 Å²	166	122.1 Å²	122.1	87%	0.869	71%	0.706	S	S	*	*			trans	-112.4	60.2	160.7	-76.6	163.5	0	0	0	108.1	C13	L11-C13 VanDerWaalsContact C-N 3.27Å; L11-C13 PolarHBondContact O-N 3.39Å; L11-C13 VanDerWaalsContact O-N 3.08Å
12	A	24.3	Very low	34.1	Very low	95 Å²	95	111 Å²	111	79%	0.785	65%	0.651	S	S	*	*			trans	-75.1	92.2	162	0	0	0	0	0	106.3	S14	A12-S14 PolarHBondContact O-N 2.87Å
13	C	22.7	Very low	35.2	Very low	116 Å²	116	105 Å²	105	78%	0.784	62%	0.621	S	S	*	*			trans	-49.4	114.4	166.7	-78.5	0	0	0	0	108.4	L11 P15	L11-C13 VanDerWaalsContact C-N 3.27Å; L11-C13 PolarHBondContact O-N 3.39Å; L11-C13 VanDerWaalsContact O-N 3.08Å; C13-P15 WeakPolarHBondContact O-CD 3.48Å
14	S	24.2	Very low	36.7	Very low	94 Å²	94	98.1 Å²	98.1	66%	0.657	58%	0.583	S	S	*	*			trans	-54.8	118.4	158.8	42.1	0	0	0	0	107.5	A12 T16	A12-S14 PolarHBondContact O-N 2.87Å; S14-T16 VanDerWaalsContact C-N 3.3Å; S14-T16 PolarHBondContact O-N 3.14Å
15	P	26.5	Very low	38	Very low	116 Å²	116	97.6 Å²	97.6	75%	0.753	57%	0.569	S	S	*	*			trans	-68.6	100	169.3	27.9	-28.2	0	0	0	105.8	C13 L17	C13-P15 WeakPolarHBondContact O-CD 3.48Å; P15-L17 PolarHBondContact O-N 3.32Å; P15-L17 VanDerWaalsContact O-N 3.09Å
16	T	30.2	Very low	39.3	Very low	109 Å²	109	94.4 Å²	94.4	67%	0.669	54%	0.539	S	S	*	.			trans	-54.4	113.7	158.1	45.1	0	0	0	0	105.5	S14 G18	S14-T16 VanDerWaalsContact C-N 3.3Å; S14-T16 PolarHBondContact O-N 3.14Å; T16-G18 VanDerWaalsContact C-N 3.32Å; T16-G18 PolarHBondContact O-N 3.37Å
17	L	36	Very low	40.7	Very low	101 Å²	101	90.6 Å²	90.6	53%	0.529	52%	0.516	S	S	.	.			trans	-55.3	105.4	165.4	-93.1	135.9	0	0	0	105.7	P15 F19 V415	P15-L17 PolarHBondContact O-N 3.32Å; P15-L17 VanDerWaalsContact O-N 3.09Å; L17-F19 HydrophobicContact CB-CZ 4.43Å; L17-F19 VanDerWaalsContact O-CD2 3.25Å; L17-F19 WeakPolarHBondContact O-CD2 3.34Å; L17-F19 WeakPolarHBondContact O-CE2 3.46Å; L17-F19 PolarHBondContact O-N 3.26Å; L17-F19 VanDerWaalsContact O-N 3.13Å; L17-V415 HydrophobicContact CD2-CG2 4.19Å
18	G	40	Very low	42.5	Very low	42 Å²	42	84 Å²	84	43%	0.433	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-58.5	118.7	175.1	0	0	0	0	0	107.7	T16	T16-G18 VanDerWaalsContact C-N 3.32Å; T16-G18 PolarHBondContact O-N 3.37Å
19	F	51	Low	44	Very low	53 Å²	53	76.7 Å²	76.7	23%	0.232	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-91.9	118.1	173.9	-64.7	-77.1	0	0	0	107.3	L17 I126 P159 V415	L17-F19 HydrophobicContact CB-CZ 4.43Å; L17-F19 VanDerWaalsContact O-CD2 3.25Å; L17-F19 WeakPolarHBondContact O-CD2 3.34Å; L17-F19 WeakPolarHBondContact O-CE2 3.46Å; L17-F19 PolarHBondContact O-N 3.26Å; L17-F19 VanDerWaalsContact O-N 3.13Å; F19-I126 HydrophobicContact CB-CD1 4.4Å; F19-I126 WeakPolarHBondContact O-CG1 3.12Å; F19-I126 PolarHBondContact O-N 3.27Å; F19-P159 HydrophobicContact CD1-CB 3.98Å; F19-P159 HydrophobicContact CD1-CG 4.48Å; F19-P159 HydrophobicContact CD2-CG 4.49Å; F19-P159 HydrophobicContact CE1-CB 3.78Å; F19-P159 HydrophobicContact CE1-CG 4.17Å; F19-P159 HydrophobicContact CE2-CG 4.18Å; F19-P159 HydrophobicContact CG-CB 4.5Å; F19-P159 HydrophobicContact CZ-CB 4.13Å; F19-P159 HydrophobicContact CZ-CG 4Å; F19-V415 HydrophobicContact CD1-CG1 3.81Å; F19-V415 HydrophobicContact CE1-CG1 4.12Å
20	S	53.9	Low	45.9	Very low	5 Å²	5	70.9 Å²	70.9	4%	0.035	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.2	176.3	62.9	0	0	0	0	111.5	N123 Y124 V415 L416 S417	S20-N123 WeakPolarHBondContact CB-ND2 3.35Å; S20-N123 WeakPolarHBondContact CB-OD1 3.42Å; S20-N123 PolarHBondContact OG-ND2 3.42Å; S20-N123 PolarHBondContact OG-OD1 2.8Å; S20-Y124 CarbonylContact C-O 3.47Å; S20-Y124 WeakPolarHBondContact CA-O 3.41Å; S20-V415 PolarHBondContact OG-O 3.35Å; S20-L416 WeakPolarHBondContact OG-CD2 3.25Å; S20-S417 PolarHBondContact O-N 3.47Å; S20-S417 VanDerWaalsContact O-N 3.11Å
21	M	60	Low	48	Very low	64 Å²	64	61.5 Å²	61.5	32%	0.315	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.3	169	-167.2	174.6	81.3	0	0	108.9	Y124 I126 F376	M21-Y124 PolarHBondContact N-O 3.09Å; M21-Y124 PolarHBondContact O-N 3Å; M21-I126 HydrophobicContact CB-CD1 4.31Å; M21-I126 HydrophobicContact CB-CG1 4.38Å; M21-F376 HydrophobicContact CG-CD1 4.18Å; M21-F376 HydrophobicContact SD-CB 4.3Å; M21-F376 HydrophobicContact SD-CD1 3.98Å
22	L	58.9	Low	49.9	Very low	2 Å²	2	56.7 Å²	56.7	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.9	173.3	-59.9	166	0	0	0	108.3	L121 N123 N344 L416 S417 S420	L22-L121 HydrophobicContact CB-CD2 4.13Å; L22-L121 HydrophobicContact CD2-CD2 3.67Å; L22-L121 HydrophobicContact CG-CD2 4.33Å; L22-N123 VanDerWaalsContact CD2-OD1 3.28Å; L22-N123 WeakPolarHBondContact CD2-OD1 3.22Å; L22-N344 PolarHBondContact O-ND2 3.36Å; L22-L416 HydrophobicContact CD1-CB 4.03Å; L22-L416 HydrophobicContact CD1-CD1 4.03Å; L22-L416 HydrophobicContact CD1-CG 4.44Å; L22-L416 HydrophobicContact CD2-CD1 4.3Å; L22-L416 HydrophobicContact CD2-CD2 3.95Å; L22-L416 HydrophobicContact CG-CB 4.36Å; L22-L416 HydrophobicContact CG-CD2 4.32Å; L22-S417 VanDerWaalsContact CB-O 3.28Å; L22-S417 WeakPolarHBondContact CB-O 3.43Å; L22-S417 WeakPolarHBondContact CG-O 3.29Å; L22-S417 PolarHBondContact N-O 3.28Å; L22-S420 WeakPolarHBondContact CD1-OG 3.19Å
23	S	61.5	Low	52.3	Low	29 Å²	29	53.2 Å²	53.2	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	154.6	158.9	72.8	0	0	0	0	109.4	L122 Y124	S23-L122 PolarHBondContact N-O 2.8Å; S23-L122 PolarHBondContact O-N 2.94Å; S23-L122 WeakPolarHBondContact OG-CB 3.33Å; S23-Y124 VanDerWaalsContact OG-CE2 3.26Å; S23-Y124 WeakPolarHBondContact OG-CE2 3.37Å
24	Y	59.3	Low	55.3	Low	38 Å²	38	48.6 Å²	48.6	15%	0.149	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.7	179.2	-64.2	-74.4	0	0	0	109	R119 L121 N344 S420	Y24-R119 HydrophobicContact CD1-CG 3.77Å; Y24-R119 HydrophobicContact CE1-CG 4.38Å; Y24-L121 HydrophobicContact CD1-CD2 3.65Å; Y24-L121 HydrophobicContact CD1-CG 4.17Å; Y24-L121 HydrophobicContact CE1-CD2 3.07Å; Y24-L121 HydrophobicContact CE1-CG 3.74Å; Y24-N344 HydrophobicContact CD2-CB 4.13Å; Y24-N344 HydrophobicContact CE2-CB 4.33Å; Y24-N344 WeakPolarHBondContact CE2-ND2 2.7Å; Y24-S420 WeakPolarHBondContact OH-CB 3.21Å; Y24-S420 PolarHBondContact OH-OG 2.82Å
25	E	59.1	Low	58.3	Low	94 Å²	94	44.2 Å²	44.2	44%	0.439	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.7	155.1	-163.5	176.7	173.1	0	0	106.6	V120	E25-V120 HydrophobicContact CB-CB 4.22Å; E25-V120 PolarHBondContact N-O 3.26Å; E25-V120 PolarHBondContact O-N 3.15Å
26	Y	57	Low	61.3	Low	49 Å²	49	38.7 Å²	38.7	19%	0.192	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.5	-177.4	179.8	-86	0	0	0	109.4	I117 P317 D318	Y26-I117 HydrophobicContact CD2-CG2 3.99Å; Y26-I117 HydrophobicContact CE2-CG2 3.3Å; Y26-P317 HydrophobicContact CD1-CG 4.03Å; Y26-P317 HydrophobicContact CE1-CG 4.35Å; Y26-D318 HydrophobicContact CE1-CB 4.12Å; Y26-D318 WeakPolarHBondContact OH-CB 3.5Å
27	V	60.7	Low	64.2	Low	63 Å²	63	33.5 Å²	33.5	38%	0.382	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	113.5	175.1	-162.1	0	0	0	0	108.6	N118 N791	V27-N118 PolarHBondContact N-O 3.48Å; V27-N118 PolarHBondContact O-N 2.92Å; V27-N791 WeakPolarHBondContact CG1-ND2 3.27Å
28	S	63.8	Low	66.9	Low	26 Å²	26	29.2 Å²	29.2	18%	0.182	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	162.9	178.3	72.1	0	0	0	0	113.1	Q116 D318 N791	S28-Q116 WeakPolarHBondContact CA-O 3.39Å; S28-D318 WeakPolarHBondContact CB-OD2 3.32Å; S28-D318 PolarHBondContact OG-OD2 2.95Å; S28-N791 VanDerWaalsContact O-CB 3.28Å; S28-N791 WeakPolarHBondContact O-CB 3.47Å; S28-N791 PolarHBondContact O-ND2 2.86Å
29	S	59.7	Low	69.4	Low	3 Å²	3	27.8 Å²	27.8	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	85.7	-146	-177.9	0	0	0	0	118.8	V31 K115 Q116 N791	S29-V31 PolarHBondContact O-N 3.16Å; S29-V31 VanDerWaalsContact O-N 3.13Å; S29-K115 CarbonylContact O-C 3.52Å; S29-K115 WeakPolarHBondContact O-CA 3.46Å; S29-Q116 WeakPolarHBondContact CA-O 3.22Å; S29-Q116 VanDerWaalsContact CB-C 3.48Å; S29-Q116 WeakPolarHBondContact CB-O 3.49Å; S29-Q116 PolarHBondContact N-O 2.75Å; S29-Q116 PolarHBondContact O-N 3.26Å; S29-Q116 VanDerWaalsContact OG-CB 3.32Å; S29-Q116 WeakPolarHBondContact OG-CB 3.26Å; S29-N791 CarbonylContact C-O 3.3Å; S29-N791 WeakPolarHBondContact CA-O 3.33Å; S29-N791 WeakPolarHBondContact CB-ND2 3.37Å; S29-N791 WeakPolarHBondContact CB-OD1 3.33Å; S29-N791 VanDerWaalsContact O-O 3.12Å; S29-N791 WeakPolarHBondContact OG-CA 3.47Å; S29-N791 WeakPolarHBondContact OG-CB 2.96Å; S29-N791 PolarHBondContact OG-O 2.99Å; S29-N791 PolarHBondContact OG-OD1 3.43Å
30	V	64.9	Low	71.2	Confident	10 Å²	10	29.3 Å²	29.3	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	105.5	165.3	162.6	0	0	0	0	118	E32 P113 Q114 K115 N791 T792 R793	V30-E32 PolarHBondContact O-N 3.15Å; V30-P113 HydrophobicContact CB-CB 3.85Å; V30-P113 HydrophobicContact CG1-CB 2.98Å; V30-P113 HydrophobicContact CG1-CG 3.92Å; V30-P113 HydrophobicContact CG2-CB 3.62Å; V30-P113 HydrophobicContact CG2-CG 4.17Å; V30-Q114 CarbonylContact C-O 3.52Å; V30-Q114 VanDerWaalsContact C-O 3.31Å; V30-Q114 WeakPolarHBondContact CA-O 3.09Å; V30-K115 HydrophobicContact CB-CG 4.49Å; V30-K115 HydrophobicContact CG2-CD 4.28Å; V30-K115 HydrophobicContact CG2-CG 3.53Å; V30-N791 CarbonylContact C-O 3.52Å; V30-N791 WeakPolarHBondContact CA-O 3.24Å; V30-N791 PolarHBondContact N-O 3.1Å; V30-N791 CarbonylContact O-C 3.37Å; V30-T792 HydrophobicContact CB-CG2 3.54Å; V30-T792 WeakPolarHBondContact CB-O 3.39Å; V30-T792 WeakPolarHBondContact CG1-O 3.35Å; V30-T792 HydrophobicContact CG2-CG2 3.54Å; V30-T792 VanDerWaalsContact N-CG2 3.29Å; V30-T792 VanDerWaalsContact N-N 3.15Å; V30-T792 CarbonylContact O-C 3.38Å; V30-T792 WeakPolarHBondContact O-CA 3.3Å; V30-R793 PolarHBondContact O-N 3.32Å
31	V	69.5	Low	72.8	Confident	16 Å²	16	35.7 Å²	35.7	10%	0.097	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	105.4	172.1	-172.5	0	0	0	0	111	S29 T33 E34 Q114 Q116 Y291 N791	S29-V31 PolarHBondContact O-N 3.16Å; S29-V31 VanDerWaalsContact O-N 3.13Å; V31-T33 VanDerWaalsContact C-N 3.27Å; V31-T33 PolarHBondContact O-N 2.86Å; V31-E34 HydrophobicContact CB-CB 4.09Å; V31-E34 HydrophobicContact CG1-CB 3.93Å; V31-E34 HydrophobicContact CG1-CG 3.85Å; V31-E34 PolarHBondContact O-N 3.01Å; V31-Q114 HydrophobicContact CB-CB 4.38Å; V31-Q114 HydrophobicContact CB-CG 4.19Å; V31-Q114 HydrophobicContact CG2-CG 4Å; V31-Q114 PolarHBondContact N-O 2.9Å; V31-Q116 HydrophobicContact CG2-CB 4.11Å; V31-Y291 HydrophobicContact CG2-CD1 3.95Å; V31-Y291 HydrophobicContact CG2-CE1 3.64Å; V31-N791 PolarHBondContact N-O 3.38Å
32	E	63.9	Low	74.1	Confident	65 Å²	65	36.3 Å²	36.3	30%	0.304	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-47	-41.5	-169.9	-131.7	166.5	-141.7	0	0	115.4	V30 E34 F35 Y788 R793	V30-E32 PolarHBondContact O-N 3.15Å; E32-E34 VanDerWaalsContact C-N 3.33Å; E32-F35 WeakPolarHBondContact O-CE2 3.39Å; E32-F35 WeakPolarHBondContact O-CZ 3.23Å; E32-Y788 VanDerWaalsContact CD-OH 3.26Å; E32-Y788 PolarHBondContact OE1-OH 3.29Å; E32-R793 HydrophobicContact CB-CB 3.2Å; E32-R793 VanDerWaalsContact CB-CD 3.46Å; E32-R793 HydrophobicContact CB-CG 3.59Å; E32-R793 VanDerWaalsContact CD-CD 3.47Å; E32-R793 HydrophobicContact CG-CB 3.05Å; E32-R793 HydrophobicContact CG-CG 3.94Å; E32-R793 VanDerWaalsContact OE1-CB 3.27Å; E32-R793 WeakPolarHBondContact OE1-CB 3.32Å; E32-R793 VanDerWaalsContact OE2-CD 3.31Å; E32-R793 WeakPolarHBondContact OE2-CD 3.5Å; E32-R793 IonicContact OE2-CZ 3.59Å; E32-R793 IonicContact OE2-NE 2.7Å; E32-R793 IonicContact OE2-NH1 3.39Å; E32-R793 PolarHBondContact OE2-NH1 3.11Å
33	T	74.8	Confident	75.4	Confident	23 Å²	23	38 Å²	38	14%	0.141	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-11.5	-173.5	54.3	0	0	0	0	112	V31 K86 I87	V31-T33 VanDerWaalsContact C-N 3.27Å; V31-T33 PolarHBondContact O-N 2.86Å; T33-K86 CarbonylContact O-C 3.52Å; T33-K86 WeakPolarHBondContact O-CA 3.45Å; T33-I87 WeakPolarHBondContact CB-O 3.28Å; T33-I87 WeakPolarHBondContact CG2-O 3.49Å; T33-I87 PolarHBondContact O-N 3.35Å
34	E	85.7	Confident	76.7	Confident	18 Å²	18	39 Å²	39	8%	0.084	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.7	-167.8	-65.6	178.5	-167.1	0	0	112	V31 E32 M66 V84 I85 K86 Q114	V31-E34 HydrophobicContact CB-CB 4.09Å; V31-E34 HydrophobicContact CG1-CB 3.93Å; V31-E34 HydrophobicContact CG1-CG 3.85Å; V31-E34 PolarHBondContact O-N 3.01Å; E32-E34 VanDerWaalsContact C-N 3.33Å; E34-M66 HydrophobicContact CG-SD 3.81Å; E34-V84 HydrophobicContact CB-CG1 4.04Å; E34-V84 HydrophobicContact CG-CG1 4.45Å; E34-I85 CarbonylContact C-O 3.41Å; E34-I85 VanDerWaalsContact CA-O 3.29Å; E34-I85 WeakPolarHBondContact CA-O 3.26Å; E34-K86 HydrophobicContact CG-CB 4.09Å; E34-K86 HydrophobicContact CG-CD 4.42Å; E34-K86 HydrophobicContact CG-CG 4.11Å; E34-K86 IonicContact OE1-NZ 3.8Å; E34-Q114 HydrophobicContact CB-CB 3.73Å; E34-Q114 HydrophobicContact CB-CG 4.1Å; E34-Q114 VanDerWaalsContact O-CB 3.29Å; E34-Q114 WeakPolarHBondContact O-CB 3.47Å; E34-Q114 PolarHBondContact O-N 2.88Å
35	F	87.7	Confident	77.9	Confident	3 Å²	3	37.8 Å²	37.8	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.5	-177.2	-60.5	-87.7	0	0	0	110.3	E32 I37 V84 I85 I87 L90 V95 F98 I99 V111 S112 P113	E32-F35 WeakPolarHBondContact O-CE2 3.39Å; E32-F35 WeakPolarHBondContact O-CZ 3.23Å; F35-I37 PolarHBondContact O-N 3.24Å; F35-V84 CarbonylContact O-C 3.14Å; F35-V84 VanDerWaalsContact O-CA 3.27Å; F35-V84 WeakPolarHBondContact O-CA 3.39Å; F35-I85 PolarHBondContact N-O 3.4Å; F35-I85 PolarHBondContact O-N 3.08Å; F35-I87 HydrophobicContact CD2-CD1 3.76Å; F35-I87 HydrophobicContact CD2-CG1 4.31Å; F35-I87 HydrophobicContact CE2-CD1 3.86Å; F35-I87 HydrophobicContact CE2-CG1 4.47Å; F35-L90 HydrophobicContact CE2-CD1 3.73Å; F35-L90 HydrophobicContact CZ-CD1 4.18Å; F35-V95 HydrophobicContact CE1-CG1 3.83Å; F35-V95 HydrophobicContact CZ-CG1 3.77Å; F35-V95 HydrophobicContact CZ-CG2 4.27Å; F35-F98 HydrophobicContact CB-CE1 4.41Å; F35-F98 HydrophobicContact CD2-CE1 4.08Å; F35-F98 HydrophobicContact CG-CE1 4.09Å; F35-I99 HydrophobicContact CD1-CD1 4.42Å; F35-I99 HydrophobicContact CD1-CG1 4.33Å; F35-I99 HydrophobicContact CE1-CD1 4.04Å; F35-I99 HydrophobicContact CE1-CG1 4.2Å; F35-V111 HydrophobicContact CB-CG1 4.26Å; F35-V111 HydrophobicContact CD1-CG1 4.48Å; F35-S112 CarbonylContact C-O 3.59Å; F35-P113 HydrophobicContact CD1-CB 4.37Å; F35-P113 HydrophobicContact CE1-CB 4.42Å
36	I	89.8	Confident	79.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	112.5	168.8	-54.9	176.4	0	0	0	107.9	F82 V84 V111 S112 Q114 T292 L296 P323	I36-F82 HydrophobicContact CG2-CB 4.43Å; I36-F82 HydrophobicContact CG2-CD2 3.7Å; I36-F82 HydrophobicContact CG2-CE2 4.36Å; I36-F82 HydrophobicContact CG2-CG 4.46Å; I36-V84 HydrophobicContact CB-CG2 4.41Å; I36-V84 HydrophobicContact CG1-CG2 3.85Å; I36-V111 WeakPolarHBondContact O-CA 3.39Å; I36-S112 WeakPolarHBondContact CA-O 3.41Å; I36-S112 WeakPolarHBondContact CB-O 3.29Å; I36-S112 PolarHBondContact N-O 2.77Å; I36-S112 PolarHBondContact O-N 2.91Å; I36-Q114 VanDerWaalsContact CD1-OE1 3.23Å; I36-Q114 HydrophobicContact CG1-CB 4.12Å; I36-Q114 VanDerWaalsContact CG1-OE1 3.31Å; I36-T292 HydrophobicContact CD1-CG2 3.63Å; I36-L296 HydrophobicContact CD1-CD1 4.14Å; I36-L296 HydrophobicContact CG2-CD1 4.08Å; I36-P323 HydrophobicContact CD1-CB 4.3Å; I36-P323 HydrophobicContact CD1-CG 4.28Å; I36-P323 HydrophobicContact CG2-CB 4.42Å; I36-P323 HydrophobicContact CG2-CG 4.47Å
37	I	91.6	Very high	80.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.4	171.7	-58.7	176.6	0	0	0	107.6	F35 Y39 L52 F82 D83 I85 L102 I108 V111	F35-I37 PolarHBondContact O-N 3.24Å; I37-Y39 HydrophobicContact CG2-CE1 3.81Å; I37-L52 HydrophobicContact CD1-CD2 3.75Å; I37-L52 HydrophobicContact CG2-CD2 4.41Å; I37-F82 CarbonylContact O-C 3.47Å; I37-F82 WeakPolarHBondContact O-CA 3.49Å; I37-F82 VanDerWaalsContact O-CB 3.28Å; I37-F82 WeakPolarHBondContact O-CB 3.27Å; I37-D83 PolarHBondContact N-O 2.97Å; I37-D83 PolarHBondContact O-N 2.91Å; I37-I85 HydrophobicContact CD1-CD1 3.29Å; I37-I85 HydrophobicContact CD1-CG1 3.76Å; I37-I85 HydrophobicContact CG1-CD1 4.5Å; I37-L102 HydrophobicContact CD1-CD1 3.62Å; I37-L102 HydrophobicContact CG1-CD1 4.26Å; I37-I108 HydrophobicContact CG2-CD1 3.92Å; I37-I108 HydrophobicContact CG2-CG1 4.08Å; I37-I108 HydrophobicContact CG2-CG2 3.98Å; I37-V111 HydrophobicContact CG1-CG1 4.35Å; I37-V111 HydrophobicContact CG1-CG2 4.29Å; I37-V111 HydrophobicContact CG2-CG2 4.49Å
38	S	91.9	Very high	82	Confident	10 Å²	10	36.6 Å²	36.6	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.1	178.2	-53.6	0	0	0	0	110.8	D81 K109 S110	S38-D81 CarbonylContact C-O 3.59Å; S38-D81 WeakPolarHBondContact CA-O 3.48Å; S38-K109 PolarHBondContact O-N 2.99Å; S38-S110 PolarHBondContact N-O 3.33Å; S38-S110 PolarHBondContact O-N 3.42Å
39	Y	92.8	Very high	83.3	Confident	13 Å²	13	36.6 Å²	36.6	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	164	-179.4	-47.6	-77.6	0	0	0	110.1	I37 R48 F51 L52 D81 D83 I108	I37-Y39 HydrophobicContact CG2-CE1 3.81Å; Y39-R48 HydrophobicContact CE2-CB 4.36Å; Y39-R48 VanDerWaalsContact CE2-CD 3.5Å; Y39-R48 HydrophobicContact CE2-CG 4.25Å; Y39-F51 HydrophobicContact CD1-CE1 4.43Å; Y39-F51 HydrophobicContact CE1-CD1 4.09Å; Y39-F51 AromaticContact CE1-CE1 3.95Å; Y39-F51 HydrophobicContact CE1-CE1 3.95Å; Y39-L52 WeakPolarHBondContact OH-CD1 3.49Å; Y39-L52 WeakPolarHBondContact OH-CD2 3.4Å; Y39-L52 WeakPolarHBondContact OH-CG 3.42Å; Y39-D81 VanDerWaalsContact CD2-C 3.5Å; Y39-D81 WeakPolarHBondContact CD2-O 3.34Å; Y39-D81 PolarHBondContact N-O 3.21Å; Y39-D83 HydrophobicContact CE2-CB 4.47Å; Y39-D83 VanDerWaalsContact CE2-OD2 3.24Å; Y39-D83 WeakPolarHBondContact CE2-OD2 3.28Å; Y39-D83 PolarHBondContact OH-OD2 3.18Å; Y39-I108 HydrophobicContact CD1-CG1 4.32Å; Y39-I108 HydrophobicContact CE1-CG1 4.24Å
40	Y	88.6	Confident	84.7	Confident	84 Å²	84	44.6 Å²	44.6	33%	0.329	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-22.7	176.3	-67.9	-80.8	0	0	0	113.7	K109	Y40-K109 HydrophobicContact CD1-CB 4.16Å; Y40-K109 HydrophobicContact CD1-CD 4.43Å; Y40-K109 HydrophobicContact CD1-CG 4.12Å; Y40-K109 HydrophobicContact CD2-CB 4.1Å; Y40-K109 HydrophobicContact CE1-CB 4.06Å; Y40-K109 HydrophobicContact CE1-CG 3.83Å; Y40-K109 HydrophobicContact CE2-CB 3.99Å; Y40-K109 HydrophobicContact CG-CB 4.19Å
41	E	86.8	Confident	86	Confident	140 Å²	140	46.3 Å²	46.3	65%	0.654	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.9	-171.5	-63.7	-173.8	176.3	0	0	112.4	S43	E41-S43 PolarHBondContact O-N 2.7Å
42	H	87.6	Confident	87	Confident	77 Å²	77	45.6 Å²	45.6	36%	0.356	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.5	171.9	-77.3	72.5	0	0	0	110.7	K79 D81 E330	H42-K79 HydrophobicContact CB-CB 4.38Å; H42-D81 IonicContact NE2-OD1 2.79Å; H42-E330 IonicContact CE1-OE1 3.92Å; H42-E330 PolarHBondContact CE1-OE1 3.07Å; H42-E330 IonicContact NE2-OE1 2.85Å
43	S	88	Confident	88.2	Confident	36 Å²	36	47.6 Å²	47.6	25%	0.252	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	166.1	178.1	59.3	0	0	0	0	111.3	E41 R48 K79 S80	E41-S43 PolarHBondContact O-N 2.7Å; S43-R48 PolarHBondContact O-NH1 2.78Å; S43-R48 WeakPolarHBondContact OG-CD 3.26Å; S43-R48 WeakPolarHBondContact OG-CG 3.3Å; S43-K79 WeakPolarHBondContact O-CA 3.35Å; S43-S80 PolarHBondContact N-O 2.97Å; S43-S80 VanDerWaalsContact N-O 3.14Å; S43-S80 PolarHBondContact O-N 3.22Å
44	C	86.8	Confident	88.8	Confident	52 Å²	52	50.5 Å²	50.5	35%	0.351	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	146.2	-179.6	-57.3	0	0	0	0	111.3	Q46 S47 R48	C44-Q46 VanDerWaalsContact C-N 3.29Å; C44-Q46 PolarHBondContact O-N 2.74Å; C44-Q46 VanDerWaalsContact O-N 3.16Å; C44-S47 WeakPolarHBondContact O-CB 3.24Å; C44-S47 PolarHBondContact O-N 3Å; C44-R48 PolarHBondContact O-N 3.48Å
45	A	84.6	Confident	88.9	Confident	11 Å²	11	50.5 Å²	50.5	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-48.3	-44.7	179.5	0	0	0	0	0	113.8	S47 R48 H49 K78	A45-S47 PolarHBondContact O-N 3.1Å; A45-R48 PolarHBondContact O-N 3.05Å; A45-H49 WeakPolarHBondContact O-CB 3.09Å; A45-H49 PolarHBondContact O-CD2 3.06Å; A45-H49 PolarHBondContact O-N 2.78Å; A45-K78 PolarHBondContact N-O 3.05Å
46	Q	85.6	Confident	88.7	Confident	114 Å²	114	50.5 Å²	50.5	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-32.6	179.4	-62.1	89	-7.1	0	0	113.4	C44 R50	C44-Q46 VanDerWaalsContact C-N 3.29Å; C44-Q46 PolarHBondContact O-N 2.74Å; C44-Q46 VanDerWaalsContact O-N 3.16Å; Q46-R50 WeakPolarHBondContact O-CB 3.49Å; Q46-R50 WeakPolarHBondContact O-CG 3.26Å; Q46-R50 PolarHBondContact O-N 2.95Å; Q46-R50 VanDerWaalsContact O-N 3.17Å
47	S	88.1	Confident	88.3	Confident	60 Å²	60	56.1 Å²	56.1	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-72.1	-47.8	178	-164.4	0	0	0	0	110.7	C44 A45 R50 F51	C44-S47 WeakPolarHBondContact O-CB 3.24Å; C44-S47 PolarHBondContact O-N 3Å; A45-S47 PolarHBondContact O-N 3.1Å; S47-R50 PolarHBondContact O-N 3.41Å; S47-F51 WeakPolarHBondContact O-CB 3.48Å; S47-F51 PolarHBondContact O-N 3.42Å
48	R	90.8	Very high	87.6	Confident	8 Å²	8	60 Å²	60	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-43.3	178.3	-56.1	-169.3	-45.8	-94.8	-0.9	112	Y39 S43 C44 A45 R50 F51 L52 S80 D83	Y39-R48 HydrophobicContact CE2-CB 4.36Å; Y39-R48 VanDerWaalsContact CE2-CD 3.5Å; Y39-R48 HydrophobicContact CE2-CG 4.25Å; S43-R48 PolarHBondContact O-NH1 2.78Å; S43-R48 WeakPolarHBondContact OG-CD 3.26Å; S43-R48 WeakPolarHBondContact OG-CG 3.3Å; C44-R48 PolarHBondContact O-N 3.48Å; A45-R48 PolarHBondContact O-N 3.05Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 2.97Å; R48-F51 WeakPolarHBondContact O-CB 3.43Å; R48-F51 PolarHBondContact O-N 2.81Å; R48-F51 VanDerWaalsContact O-N 3.15Å; R48-L52 WeakPolarHBondContact O-CB 3.2Å; R48-L52 WeakPolarHBondContact O-CG 3.47Å; R48-L52 PolarHBondContact O-N 3.11Å; R48-S80 WeakPolarHBondContact CD-O 3.02Å; R48-S80 VanDerWaalsContact NH1-N 3.18Å; R48-S80 PolarHBondContact NH1-O 3.01Å; R48-S80 VanDerWaalsContact NH1-O 3.08Å; R48-D83 WeakPolarHBondContact CB-OD2 3.4Å; R48-D83 IonicContact CZ-OD1 3.68Å; R48-D83 IonicContact CZ-OD2 3.36Å; R48-D83 IonicContact NE-OD1 3.91Å; R48-D83 PolarHBondContact NE-OD1 2.73Å; R48-D83 VanDerWaalsContact NE-OD1 3.1Å; R48-D83 IonicContact NE-OD2 3.7Å; R48-D83 PolarHBondContact NE-OD2 3.42Å; R48-D83 IonicContact NH2-OD1 3.68Å; R48-D83 PolarHBondContact NH2-OD1 2.77Å
49	H	90.1	Very high	86.6	Confident	26 Å²	26	62.2 Å²	62.2	12%	0.12	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-38.4	177.9	-65.4	-168.9	0	0	0	111.6	A45 K53 I65 E67 D83	A45-H49 WeakPolarHBondContact O-CB 3.09Å; A45-H49 PolarHBondContact O-CD2 3.06Å; A45-H49 PolarHBondContact O-N 2.78Å; H49-K53 VanDerWaalsContact O-CB 3.31Å; H49-K53 WeakPolarHBondContact O-CB 3.36Å; H49-K53 WeakPolarHBondContact O-CG 3.47Å; H49-K53 PolarHBondContact O-N 3.39Å; H49-I65 HydrophobicContact CB-CD1 4.04Å; H49-E67 IonicContact CE1-OE1 2.85Å; H49-E67 PolarHBondContact CE1-OE1 3.49Å; H49-E67 IonicContact ND1-OE1 3.11Å; H49-D83 IonicContact CD2-OD1 2.84Å; H49-D83 IonicContact NE2-OD1 3.13Å
50	R	90.1	Very high	85.7	Confident	170 Å²	170	67.8 Å²	67.8	64%	0.642	35%	0.354	S	S	*	.	H	α-helix	trans	-63.8	-43.2	172.9	-86	-172.6	-108.5	120.9	-6	111.8	Q46 S47 R48 K53 S54	Q46-R50 WeakPolarHBondContact O-CB 3.49Å; Q46-R50 WeakPolarHBondContact O-CG 3.26Å; Q46-R50 PolarHBondContact O-N 2.95Å; Q46-R50 VanDerWaalsContact O-N 3.17Å; S47-R50 PolarHBondContact O-N 3.41Å; R48-R50 VanDerWaalsContact C-N 3.34Å; R48-R50 PolarHBondContact O-N 2.97Å; R50-K53 PolarHBondContact O-N 3.12Å; R50-S54 PolarHBondContact O-N 3.47Å
51	F	91.4	Very high	85	Confident	47 Å²	47	65 Å²	65	21%	0.206	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-52.1	176	170.8	-104.2	0	0	0	111.7	Y39 S47 R48 K53 S54 I55 V105 Q107 I108	Y39-F51 HydrophobicContact CD1-CE1 4.43Å; Y39-F51 HydrophobicContact CE1-CD1 4.09Å; Y39-F51 AromaticContact CE1-CE1 3.95Å; Y39-F51 HydrophobicContact CE1-CE1 3.95Å; S47-F51 WeakPolarHBondContact O-CB 3.48Å; S47-F51 PolarHBondContact O-N 3.42Å; R48-F51 WeakPolarHBondContact O-CB 3.43Å; R48-F51 PolarHBondContact O-N 2.81Å; R48-F51 VanDerWaalsContact O-N 3.15Å; F51-K53 VanDerWaalsContact C-N 3.34Å; F51-K53 PolarHBondContact O-N 3.2Å; F51-S54 WeakPolarHBondContact O-CB 3.48Å; F51-S54 PolarHBondContact O-N 3.12Å; F51-S54 VanDerWaalsContact O-N 3.08Å; F51-S54 PolarHBondContact O-OG 3.34Å; F51-I55 HydrophobicContact CD1-CD1 4.07Å; F51-I55 HydrophobicContact CD2-CD1 4.14Å; F51-I55 HydrophobicContact CE1-CD1 3.51Å; F51-I55 HydrophobicContact CE2-CD1 3.6Å; F51-I55 HydrophobicContact CG-CD1 4.36Å; F51-I55 HydrophobicContact CZ-CD1 3.27Å; F51-I55 PolarHBondContact O-N 3.46Å; F51-V105 HydrophobicContact CE2-CG1 4.47Å; F51-V105 HydrophobicContact CZ-CG1 3.73Å; F51-Q107 HydrophobicContact CE1-CB 4.35Å; F51-Q107 HydrophobicContact CE2-CB 4.23Å; F51-Q107 HydrophobicContact CE2-CG 4.23Å; F51-Q107 HydrophobicContact CZ-CB 3.71Å; F51-Q107 HydrophobicContact CZ-CG 4.21Å; F51-I108 HydrophobicContact CE1-CD1 4.47Å; F51-I108 HydrophobicContact CE1-CG1 4.13Å; F51-I108 HydrophobicContact CZ-CG1 4.5Å
52	L	89.6	Confident	84.8	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57.1	-46	176.3	-76.2	175.2	0	0	0	112	I37 Y39 R48 S54 I55 L56 I65 D83 I85	I37-L52 HydrophobicContact CD1-CD2 3.75Å; I37-L52 HydrophobicContact CG2-CD2 4.41Å; Y39-L52 WeakPolarHBondContact OH-CD1 3.49Å; Y39-L52 WeakPolarHBondContact OH-CD2 3.4Å; Y39-L52 WeakPolarHBondContact OH-CG 3.42Å; R48-L52 WeakPolarHBondContact O-CB 3.2Å; R48-L52 WeakPolarHBondContact O-CG 3.47Å; R48-L52 PolarHBondContact O-N 3.11Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 3.18Å; L52-I55 PolarHBondContact O-N 3.41Å; L52-I55 VanDerWaalsContact O-N 3.14Å; L52-L56 HydrophobicContact CB-CD1 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.3Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.46Å; L52-L56 PolarHBondContact O-N 3Å; L52-I65 HydrophobicContact CB-CD1 4.15Å; L52-I65 HydrophobicContact CD1-CD1 3.97Å; L52-I65 HydrophobicContact CD1-CG1 4.4Å; L52-D83 HydrophobicContact CD1-CB 3.95Å; L52-I85 HydrophobicContact CD1-CD1 3.73Å; L52-I85 HydrophobicContact CD1-CG1 4.3Å; L52-I85 HydrophobicContact CD2-CD1 3.91Å; L52-I85 HydrophobicContact CG-CD1 4.28Å
53	K	89.7	Confident	84.7	Confident	108 Å²	108	62.8 Å²	62.8	47%	0.47	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-39.7	176.2	-75.4	175.9	179.1	-170.4	0	112.4	H49 R50 F51 I55 N57 Y63	H49-K53 VanDerWaalsContact O-CB 3.31Å; H49-K53 WeakPolarHBondContact O-CB 3.36Å; H49-K53 WeakPolarHBondContact O-CG 3.47Å; H49-K53 PolarHBondContact O-N 3.39Å; R50-K53 PolarHBondContact O-N 3.12Å; F51-K53 VanDerWaalsContact C-N 3.34Å; F51-K53 PolarHBondContact O-N 3.2Å; K53-I55 PolarHBondContact O-N 3.07Å; K53-N57 WeakPolarHBondContact O-CB 3.38Å; K53-N57 PolarHBondContact O-N 2.86Å; K53-N57 PolarHBondContact O-ND2 2.89Å; K53-N57 PolarHBondContact O-OD1 2.84Å; K53-Y63 WeakPolarHBondContact CA-OH 3.26Å; K53-Y63 WeakPolarHBondContact CG-OH 3.5Å
54	S	88.4	Confident	84.7	Confident	84 Å²	84	63.1 Å²	63.1	59%	0.587	34%	0.339	S	S	*	.	H	α-helix	trans	-64.2	-29.2	178.6	74	0	0	0	0	113.3	R50 F51 L52	R50-S54 PolarHBondContact O-N 3.47Å; F51-S54 WeakPolarHBondContact O-CB 3.48Å; F51-S54 PolarHBondContact O-N 3.12Å; F51-S54 VanDerWaalsContact O-N 3.08Å; F51-S54 PolarHBondContact O-OG 3.34Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 3.18Å
55	I	86.4	Confident	84.7	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.087	33%	0.328	C	S	.	.	H	α-helix	trans	-84.5	-52.9	177.6	-65.8	166	0	0	0	110	F51 L52 K53 N57 S58 Y101 L102 V105	F51-I55 HydrophobicContact CD1-CD1 4.07Å; F51-I55 HydrophobicContact CD2-CD1 4.14Å; F51-I55 HydrophobicContact CE1-CD1 3.51Å; F51-I55 HydrophobicContact CE2-CD1 3.6Å; F51-I55 HydrophobicContact CG-CD1 4.36Å; F51-I55 HydrophobicContact CZ-CD1 3.27Å; F51-I55 PolarHBondContact O-N 3.46Å; L52-I55 PolarHBondContact O-N 3.41Å; L52-I55 VanDerWaalsContact O-N 3.14Å; K53-I55 PolarHBondContact O-N 3.07Å; I55-N57 PolarHBondContact O-N 2.95Å; I55-S58 PolarHBondContact O-N 2.93Å; I55-S58 PolarHBondContact O-OG 3.11Å; I55-Y101 HydrophobicContact CG2-CE1 3.6Å; I55-L102 HydrophobicContact CG2-CD2 3.72Å; I55-V105 HydrophobicContact CD1-CG1 3.9Å; I55-V105 HydrophobicContact CD1-CG2 4.38Å
56	L	84.5	Confident	84.6	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-75.4	-25.1	-169.9	-64.1	174.9	0	0	0	113.9	L52 S58 F59 Y63 I85 F98 L102	L52-L56 HydrophobicContact CB-CD1 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.3Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.46Å; L52-L56 PolarHBondContact O-N 3Å; L56-S58 PolarHBondContact O-N 2.8Å; L56-S58 VanDerWaalsContact O-N 3.13Å; L56-F59 WeakPolarHBondContact O-CB 3.42Å; L56-F59 PolarHBondContact O-N 2.93Å; L56-Y63 HydrophobicContact CB-CD1 3.95Å; L56-Y63 HydrophobicContact CB-CE1 3.42Å; L56-Y63 VanDerWaalsContact CB-CE1 3.42Å; L56-Y63 HydrophobicContact CB-CE2 4.12Å; L56-Y63 HydrophobicContact CD1-CD1 4.34Å; L56-Y63 HydrophobicContact CD1-CD2 3.7Å; L56-Y63 HydrophobicContact CD1-CE1 4.29Å; L56-Y63 HydrophobicContact CD1-CE2 3.62Å; L56-Y63 HydrophobicContact CD1-CG 4.09Å; L56-Y63 HydrophobicContact CG-CE1 4.48Å; L56-I85 HydrophobicContact CD1-CD1 3.36Å; L56-F98 HydrophobicContact CD2-CE2 3.63Å; L56-F98 HydrophobicContact CD2-CZ 4.21Å; L56-L102 HydrophobicContact CD2-CD2 4.19Å
57	N	82.1	Confident	84.2	Confident	118 Å²	118	64.7 Å²	64.7	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.2	174.9	-72.2	-1.4	0	0	0	113.1	K53 I55 F59 Y63	K53-N57 WeakPolarHBondContact O-CB 3.38Å; K53-N57 PolarHBondContact O-N 2.86Å; K53-N57 PolarHBondContact O-ND2 2.89Å; K53-N57 PolarHBondContact O-OD1 2.84Å; I55-N57 PolarHBondContact O-N 2.95Å; N57-F59 VanDerWaalsContact C-N 3.31Å; N57-Y63 PolarHBondContact OD1-OH 2.94Å
58	S	75.4	Confident	83.3	Confident	81 Å²	81	63.4 Å²	63.4	57%	0.566	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.9	171.9	71.6	0	0	0	0	113.4	I55 L56 Y101	I55-S58 PolarHBondContact O-N 2.93Å; I55-S58 PolarHBondContact O-OG 3.11Å; L56-S58 PolarHBondContact O-N 2.8Å; L56-S58 VanDerWaalsContact O-N 3.13Å; S58-Y101 PolarHBondContact OG-OH 2.66Å
59	F	72.1	Confident	82	Confident	57 Å²	57	65.6 Å²	65.6	25%	0.25	34%	0.335	C	S	.	.	S	Bend	trans	-101.6	135.5	-176.7	-124.6	-91.3	0	0	0	110.6	L56 N57 L61 Y101	L56-F59 WeakPolarHBondContact O-CB 3.42Å; L56-F59 PolarHBondContact O-N 2.93Å; N57-F59 VanDerWaalsContact C-N 3.31Å; F59-L61 HydrophobicContact CD1-CD1 3.52Å; F59-L61 HydrophobicContact CD1-CG 3.89Å; F59-L61 HydrophobicContact CE1-CD1 3.86Å; F59-L61 PolarHBondContact O-N 2.91Å; F59-Y101 HydrophobicContact CD2-CD1 4.06Å; F59-Y101 HydrophobicContact CD2-CE1 4.01Å; F59-Y101 AromaticContact CE2-CD1 3.76Å; F59-Y101 HydrophobicContact CE2-CD1 3.76Å; F59-Y101 HydrophobicContact CE2-CD2 4.19Å; F59-Y101 HydrophobicContact CE2-CE1 4.11Å; F59-Y101 AromaticContact CE2-CG 3.8Å; F59-Y101 HydrophobicContact CE2-CG 3.8Å
60	P	72.7	Confident	80.8	Confident	129 Å²	129	65.4 Å²	65.4	84%	0.838	33%	0.333	S	S	*	.	S	Bend	trans	-78.2	42.6	179.9	34.3	-37.3	0	0	0	112.4
61	L	73.8	Confident	79.5	Confident	27 Å²	27	57.8 Å²	57.8	14%	0.141	31%	0.305	C	S	.	.			trans	-117.6	133.7	179.5	-70.7	170.3	0	0	0	109.8	F59 Y63 I87 L90 F98	F59-L61 HydrophobicContact CD1-CD1 3.52Å; F59-L61 HydrophobicContact CD1-CG 3.89Å; F59-L61 HydrophobicContact CE1-CD1 3.86Å; F59-L61 PolarHBondContact O-N 2.91Å; L61-Y63 PolarHBondContact O-N 3.13Å; L61-I87 HydrophobicContact CB-CG2 4.11Å; L61-I87 HydrophobicContact CD1-CG2 4.25Å; L61-I87 HydrophobicContact CD2-CG2 4.41Å; L61-I87 HydrophobicContact CG-CG2 4.5Å; L61-L90 HydrophobicContact CD1-CD2 4.12Å; L61-L90 HydrophobicContact CD2-CD2 4.34Å; L61-F98 HydrophobicContact CD1-CD2 4.3Å
62	N	82.1	Confident	77.9	Confident	118 Å²	118	59.7 Å²	59.7	63%	0.631	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.9	169	-77.1	-20.8	0	0	0	108.3	F88	N62-F88 HydrophobicContact CB-CB 4.11Å; N62-F88 HydrophobicContact CB-CD2 4.15Å; N62-F88 WeakPolarHBondContact O-CD2 3.44Å; N62-F88 PolarHBondContact O-N 2.7Å
63	Y	86.3	Confident	76.2	Confident	52 Å²	52	63.3 Å²	63.3	20%	0.204	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.2	178.5	71.7	-84.7	0	0	0	111.3	K53 L56 N57 L61 I65 I85 K86	K53-Y63 WeakPolarHBondContact CA-OH 3.26Å; K53-Y63 WeakPolarHBondContact CG-OH 3.5Å; L56-Y63 HydrophobicContact CB-CD1 3.95Å; L56-Y63 HydrophobicContact CB-CE1 3.42Å; L56-Y63 VanDerWaalsContact CB-CE1 3.42Å; L56-Y63 HydrophobicContact CB-CE2 4.12Å; L56-Y63 HydrophobicContact CD1-CD1 4.34Å; L56-Y63 HydrophobicContact CD1-CD2 3.7Å; L56-Y63 HydrophobicContact CD1-CE1 4.29Å; L56-Y63 HydrophobicContact CD1-CE2 3.62Å; L56-Y63 HydrophobicContact CD1-CG 4.09Å; L56-Y63 HydrophobicContact CG-CE1 4.48Å; N57-Y63 PolarHBondContact OD1-OH 2.94Å; L61-Y63 PolarHBondContact O-N 3.13Å; Y63-I65 HydrophobicContact CD2-CG1 4.36Å; Y63-I65 HydrophobicContact CE2-CG1 4.2Å; Y63-I85 HydrophobicContact CD2-CG2 4.07Å; Y63-I85 HydrophobicContact CG-CG2 4.38Å; Y63-K86 CarbonylContact C-O 3.59Å; Y63-K86 VanDerWaalsContact CA-O 3.28Å; Y63-K86 WeakPolarHBondContact CA-O 3.38Å
64	S	87.7	Confident	74.5	Confident	42 Å²	42	58.5 Å²	58.5	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.1	167.9	58.9	0	0	0	0	109.3	M66 K86 F88	S64-M66 PolarHBondContact O-N 2.82Å; S64-K86 PolarHBondContact N-O 3.06Å; S64-K86 PolarHBondContact O-N 2.77Å; S64-F88 WeakPolarHBondContact OG-CE2 2.74Å; S64-F88 WeakPolarHBondContact OG-CZ 3.43Å
65	I	86.8	Confident	72.8	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.128	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.5	168.3	-56.9	173.3	0	0	0	106.5	H49 L52 Y63 E67 I85	H49-I65 HydrophobicContact CB-CD1 4.04Å; L52-I65 HydrophobicContact CB-CD1 4.15Å; L52-I65 HydrophobicContact CD1-CD1 3.97Å; L52-I65 HydrophobicContact CD1-CG1 4.4Å; Y63-I65 HydrophobicContact CD2-CG1 4.36Å; Y63-I65 HydrophobicContact CE2-CG1 4.2Å; I65-E67 PolarHBondContact O-N 3Å; I65-E67 VanDerWaalsContact O-N 3.14Å; I65-I85 HydrophobicContact CG1-CD1 4.45Å; I65-I85 HydrophobicContact CG1-CG1 4.43Å
66	M	83	Confident	71	Confident	67 Å²	67	66.7 Å²	66.7	33%	0.33	36%	0.364	S	S	.	.			trans	-71.1	111.3	178.3	-68.5	-177.4	74.8	0	0	108.7	E34 S64 V84 K86	E34-M66 HydrophobicContact CG-SD 3.81Å; S64-M66 PolarHBondContact O-N 2.82Å; M66-V84 HydrophobicContact CB-CB 4.42Å; M66-V84 HydrophobicContact CB-CG1 4.32Å; M66-V84 HydrophobicContact CG-CG1 4.14Å; M66-V84 PolarHBondContact N-O 3.25Å; M66-V84 HydrophobicContact SD-CB 4.42Å; M66-V84 HydrophobicContact SD-CG1 3.43Å; M66-V84 WeakPolarHBondContact SD-CG1 3.36Å; M66-K86 HydrophobicContact CG-CB 4.15Å; M66-K86 HydrophobicContact SD-CB 4.34Å
67	E	76.6	Confident	69.6	Low	118 Å²	118	71.9 Å²	71.9	55%	0.551	39%	0.388	S	S	*	.			trans	-63.9	147.3	173.3	-76.3	-69.5	159.5	0	0	109.9	H49 I65 I217	H49-E67 IonicContact CE1-OE1 2.85Å; H49-E67 PolarHBondContact CE1-OE1 3.49Å; H49-E67 IonicContact ND1-OE1 3.11Å; I65-E67 PolarHBondContact O-N 3Å; I65-E67 VanDerWaalsContact O-N 3.14Å; E67-I217 VanDerWaalsContact O-CD1 3.27Å; E67-I217 WeakPolarHBondContact O-CD1 3.46Å
68	R	70.2	Confident	68.8	Low	34 Å²	34	69.5 Å²	69.5	13%	0.128	37%	0.372	C	S	.	.			trans	-128.8	137.5	-176.2	-71.2	173.7	170.7	-177.3	8.5	110.8	Y70 I217 D297	R68-Y70 HydrophobicContact CB-CE2 4.24Å; R68-I217 VanDerWaalsContact C-CD1 3.44Å; R68-I217 VanDerWaalsContact CA-CD1 3.48Å; R68-D297 WeakPolarHBondContact CD-OD2 3.45Å; R68-D297 IonicContact CZ-OD1 2.71Å; R68-D297 IonicContact CZ-OD2 3.32Å; R68-D297 IonicContact NE-OD2 3.47Å; R68-D297 PolarHBondContact NE-OD2 2.92Å; R68-D297 VanDerWaalsContact NE-OD2 3.1Å; R68-D297 IonicContact NH1-OD1 3.73Å; R68-D297 PolarHBondContact NH1-OD1 3.02Å; R68-D297 IonicContact NH1-OD2 3.1Å; R68-D297 PolarHBondContact NH1-OD2 3.17Å; R68-D297 IonicContact NH2-OD2 2.75Å
69	W	63.6	Low	69.1	Low	54 Å²	54	71.7 Å²	71.7	21%	0.205	37%	0.371	C	S	.	.			trans	-94.9	125.5	-179.5	179	82.1	0	0	0	108.1	P71 I217 R220	W69-P71 HydrophobicContact CH2-CB 4.14Å; W69-P71 HydrophobicContact CH2-CG 4.13Å; W69-P71 HydrophobicContact CZ3-CB 4.47Å; W69-P71 HydrophobicContact CZ3-CG 3.97Å; W69-I217 HydrophobicContact CB-CD1 3.51Å; W69-I217 HydrophobicContact CB-CG1 3.63Å; W69-R220 VanDerWaalsContact CG-NH1 3.31Å
70	Y	64.4	Low	69.9	Low	22 Å²	22	69 Å²	69	9%	0.086	36%	0.359	C	S	.	.			trans	-105.8	142.9	165.8	-64	-81.8	0	0	0	107.2	R68 K78 W213 D297	R68-Y70 HydrophobicContact CB-CE2 4.24Å; Y70-K78 HydrophobicContact CD2-CG 4.09Å; Y70-W213 HydrophobicContact CD1-CH2 4.07Å; Y70-W213 HydrophobicContact CD1-CZ3 4.24Å; Y70-W213 HydrophobicContact CE1-CH2 4.3Å; Y70-W213 HydrophobicContact CE1-CZ3 4.24Å; Y70-D297 PolarHBondContact OH-OD1 2.96Å
71	P	61.6	Low	70.7	Confident	9 Å²	9	63.5 Å²	63.5	6%	0.058	32%	0.323	C	S	.	.			trans	-48.8	146.7	172.9	-26	32.7	0	0	0	111.4	W69 S73 N74 T211 Y301	W69-P71 HydrophobicContact CH2-CB 4.14Å; W69-P71 HydrophobicContact CH2-CG 4.13Å; W69-P71 HydrophobicContact CZ3-CB 4.47Å; W69-P71 HydrophobicContact CZ3-CG 3.97Å; P71-S73 PolarHBondContact O-N 3.36Å; P71-N74 PolarHBondContact O-N 3.3Å; P71-T211 HydrophobicContact CG-CG2 3.65Å; P71-Y301 HydrophobicContact CB-CE2 4.47Å; P71-Y301 HydrophobicContact CG-CE2 3.96Å
72	P	57.9	Low	71.6	Confident	88 Å²	88	62.3 Å²	62.3	57%	0.571	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-55.7	-30.9	-172.8	-24.3	32.8	0	0	0	113.6	N74 A75	P72-N74 PolarHBondContact O-N 2.81Å; P72-N74 VanDerWaalsContact O-N 3.13Å; P72-A75 WeakPolarHBondContact O-CB 3.32Å; P72-A75 PolarHBondContact O-N 3.28Å; P72-A75 VanDerWaalsContact O-N 3.08Å
73	S	55.7	Low	72.1	Confident	76 Å²	76	56.9 Å²	56.9	53%	0.531	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.7	-23.7	174.8	54.1	0	0	0	0	113.3	P71 Y301 R305	P71-S73 PolarHBondContact O-N 3.36Å; S73-Y301 PolarHBondContact OG-OH 2.99Å; S73-R305 PolarHBondContact OG-NH2 2.86Å
74	N	53.4	Low	72.2	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.037	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-108.2	10.8	177.5	-98.4	26.6	0	0	0	114.6	P71 P72 K76 E77 Y301 S304 R305	P71-N74 PolarHBondContact O-N 3.3Å; P72-N74 PolarHBondContact O-N 2.81Å; P72-N74 VanDerWaalsContact O-N 3.13Å; N74-K76 PolarHBondContact O-N 3.46Å; N74-E77 CarbonylContact O-C 3.49Å; N74-E77 PolarHBondContact O-N 3.07Å; N74-Y301 HydrophobicContact CB-CE2 3.97Å; N74-Y301 WeakPolarHBondContact ND2-CD2 3.42Å; N74-Y301 VanDerWaalsContact ND2-CE2 3.34Å; N74-Y301 WeakPolarHBondContact ND2-CE2 3.29Å; N74-S304 PolarHBondContact ND2-OG 3.29Å; N74-R305 PolarHBondContact OD1-NH1 2.58Å
75	A	52.2	Low	72.3	Confident	64 Å²	64	52.6 Å²	52.6	53%	0.529	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.1	-178.2	0	0	0	0	0	113.6	P72	P72-A75 WeakPolarHBondContact O-CB 3.32Å; P72-A75 PolarHBondContact O-N 3.28Å; P72-A75 VanDerWaalsContact O-N 3.08Å
76	K	48.9	Very low	72.4	Confident	208 Å²	208	54.7 Å²	54.7	90%	0.904	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-21.1	173.2	-74.8	-175.2	177	179.2	0	114.8	N74	N74-K76 PolarHBondContact O-N 3.46Å
77	E	54.4	Low	72.4	Confident	114 Å²	114	51.5 Å²	51.5	53%	0.533	26%	0.258	S	S	.	.			trans	-107.6	45.8	-176.8	-72.1	-173.2	166.9	0	0	112.1	N74 K79	N74-E77 CarbonylContact O-C 3.49Å; N74-E77 PolarHBondContact O-N 3.07Å; E77-K79 PolarHBondContact O-N 3.05Å
78	K	64.9	Low	72.6	Confident	68 Å²	68	50 Å²	50	30%	0.296	25%	0.25	S	C	.	.			trans	-71.5	34.5	172.3	-68.1	-171.7	174.8	-165.2	0	113.5	A45 Y70	A45-K78 PolarHBondContact N-O 3.05Å; Y70-K78 HydrophobicContact CD2-CG 4.09Å
79	K	82.2	Confident	72.6	Confident	127 Å²	127	55.3 Å²	55.3	55%	0.552	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.4	175.1	-71.7	-168.9	-178.4	-174.9	0	108.4	H42 S43 E77	H42-K79 HydrophobicContact CB-CB 4.38Å; S43-K79 WeakPolarHBondContact O-CA 3.35Å; E77-K79 PolarHBondContact O-N 3.05Å
80	S	88.5	Confident	72.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156	174.1	179.1	0	0	0	0	107.3	S43 R48 F82 N300	S43-S80 PolarHBondContact N-O 2.97Å; S43-S80 VanDerWaalsContact N-O 3.14Å; S43-S80 PolarHBondContact O-N 3.22Å; R48-S80 WeakPolarHBondContact CD-O 3.02Å; R48-S80 VanDerWaalsContact NH1-N 3.18Å; R48-S80 PolarHBondContact NH1-O 3.01Å; R48-S80 VanDerWaalsContact NH1-O 3.08Å; S80-F82 WeakPolarHBondContact OG-CD1 3.37Å; S80-F82 PolarHBondContact OG-N 2.68Å; S80-F82 PolarHBondContact OG-O 3.07Å; S80-F82 VanDerWaalsContact OG-O 3.11Å; S80-N300 PolarHBondContact OG-ND2 3.28Å
81	D	90.7	Very high	72.8	Confident	14 Å²	14	56.3 Å²	56.3	8%	0.075	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	10.6	174.7	66.7	-40	0	0	0	111.9	S38 Y39 H42 N300 K327	S38-D81 CarbonylContact C-O 3.59Å; S38-D81 WeakPolarHBondContact CA-O 3.48Å; Y39-D81 VanDerWaalsContact CD2-C 3.5Å; Y39-D81 WeakPolarHBondContact CD2-O 3.34Å; Y39-D81 PolarHBondContact N-O 3.21Å; H42-D81 IonicContact NE2-OD1 2.79Å; D81-N300 PolarHBondContact OD1-ND2 2.99Å; D81-K327 IonicContact OD1-NZ 3.36Å; D81-K327 PolarHBondContact OD1-NZ 2.94Å; D81-K327 IonicContact OD2-NZ 3.96Å; D81-K327 PolarHBondContact OD2-NZ 3.08Å
82	F	92.5	Very high	72.7	Confident	1 Å²	1	63.6 Å²	63.6	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	160.7	173.9	78.1	-69.8	0	0	0	113	I36 I37 S80 L296 D297	I36-F82 HydrophobicContact CG2-CB 4.43Å; I36-F82 HydrophobicContact CG2-CD2 3.7Å; I36-F82 HydrophobicContact CG2-CE2 4.36Å; I36-F82 HydrophobicContact CG2-CG 4.46Å; I37-F82 CarbonylContact O-C 3.47Å; I37-F82 WeakPolarHBondContact O-CA 3.49Å; I37-F82 VanDerWaalsContact O-CB 3.28Å; I37-F82 WeakPolarHBondContact O-CB 3.27Å; S80-F82 WeakPolarHBondContact OG-CD1 3.37Å; S80-F82 PolarHBondContact OG-N 2.68Å; S80-F82 PolarHBondContact OG-O 3.07Å; S80-F82 VanDerWaalsContact OG-O 3.11Å; F82-L296 HydrophobicContact CD1-CB 4.42Å; F82-L296 HydrophobicContact CD2-CD1 4.01Å; F82-L296 HydrophobicContact CE1-CB 3.57Å; F82-L296 HydrophobicContact CE2-CB 3.7Å; F82-L296 HydrophobicContact CE2-CD1 3.59Å; F82-L296 HydrophobicContact CE2-CG 4.29Å; F82-L296 HydrophobicContact CZ-CB 3.11Å; F82-L296 HydrophobicContact CZ-CD1 3.93Å; F82-L296 HydrophobicContact CZ-CG 4.16Å; F82-D297 HydrophobicContact CZ-CB 4.47Å
83	D	91.7	Very high	72.6	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.027	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.7	169.1	-64.8	-57.4	0	0	0	109.6	I37 Y39 R48 H49 L52	I37-D83 PolarHBondContact N-O 2.97Å; I37-D83 PolarHBondContact O-N 2.91Å; Y39-D83 HydrophobicContact CE2-CB 4.47Å; Y39-D83 VanDerWaalsContact CE2-OD2 3.24Å; Y39-D83 WeakPolarHBondContact CE2-OD2 3.28Å; Y39-D83 PolarHBondContact OH-OD2 3.18Å; R48-D83 WeakPolarHBondContact CB-OD2 3.4Å; R48-D83 IonicContact CZ-OD1 3.68Å; R48-D83 IonicContact CZ-OD2 3.36Å; R48-D83 IonicContact NE-OD1 3.91Å; R48-D83 PolarHBondContact NE-OD1 2.73Å; R48-D83 VanDerWaalsContact NE-OD1 3.1Å; R48-D83 IonicContact NE-OD2 3.7Å; R48-D83 PolarHBondContact NE-OD2 3.42Å; R48-D83 IonicContact NH2-OD1 3.68Å; R48-D83 PolarHBondContact NH2-OD1 2.77Å; H49-D83 IonicContact CD2-OD1 2.84Å; H49-D83 IonicContact NE2-OD1 3.13Å; L52-D83 HydrophobicContact CD1-CB 3.95Å
84	V	90	Very high	73.3	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131	166.7	167.3	0	0	0	0	109.5	E34 F35 I36 M66	E34-V84 HydrophobicContact CB-CG1 4.04Å; E34-V84 HydrophobicContact CG-CG1 4.45Å; F35-V84 CarbonylContact O-C 3.14Å; F35-V84 VanDerWaalsContact O-CA 3.27Å; F35-V84 WeakPolarHBondContact O-CA 3.39Å; I36-V84 HydrophobicContact CB-CG2 4.41Å; I36-V84 HydrophobicContact CG1-CG2 3.85Å; M66-V84 HydrophobicContact CB-CB 4.42Å; M66-V84 HydrophobicContact CB-CG1 4.32Å; M66-V84 HydrophobicContact CG-CG1 4.14Å; M66-V84 PolarHBondContact N-O 3.25Å; M66-V84 HydrophobicContact SD-CB 4.42Å; M66-V84 HydrophobicContact SD-CG1 3.43Å; M66-V84 WeakPolarHBondContact SD-CG1 3.36Å
85	I	89.7	Confident	74	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.5	177.3	-56	-164.8	0	0	0	108.7	E34 F35 I37 L52 L56 Y63 I65 I87	E34-I85 CarbonylContact C-O 3.41Å; E34-I85 VanDerWaalsContact CA-O 3.29Å; E34-I85 WeakPolarHBondContact CA-O 3.26Å; F35-I85 PolarHBondContact N-O 3.4Å; F35-I85 PolarHBondContact O-N 3.08Å; I37-I85 HydrophobicContact CD1-CD1 3.29Å; I37-I85 HydrophobicContact CD1-CG1 3.76Å; I37-I85 HydrophobicContact CG1-CD1 4.5Å; L52-I85 HydrophobicContact CD1-CD1 3.73Å; L52-I85 HydrophobicContact CD1-CG1 4.3Å; L52-I85 HydrophobicContact CD2-CD1 3.91Å; L52-I85 HydrophobicContact CG-CD1 4.28Å; L56-I85 HydrophobicContact CD1-CD1 3.36Å; Y63-I85 HydrophobicContact CD2-CG2 4.07Å; Y63-I85 HydrophobicContact CG-CG2 4.38Å; I65-I85 HydrophobicContact CG1-CD1 4.45Å; I65-I85 HydrophobicContact CG1-CG1 4.43Å; I85-I87 HydrophobicContact CG2-CG1 3.95Å
86	K	87.7	Confident	74.7	Confident	69 Å²	69	67.3 Å²	67.3	30%	0.3	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.6	168	-173.6	170.8	-172.4	158.9	0	109.7	T33 E34 Y63 S64 M66 F88	T33-K86 CarbonylContact O-C 3.52Å; T33-K86 WeakPolarHBondContact O-CA 3.45Å; E34-K86 HydrophobicContact CG-CB 4.09Å; E34-K86 HydrophobicContact CG-CD 4.42Å; E34-K86 HydrophobicContact CG-CG 4.11Å; E34-K86 IonicContact OE1-NZ 3.8Å; Y63-K86 CarbonylContact C-O 3.59Å; Y63-K86 VanDerWaalsContact CA-O 3.28Å; Y63-K86 WeakPolarHBondContact CA-O 3.38Å; S64-K86 PolarHBondContact N-O 3.06Å; S64-K86 PolarHBondContact O-N 2.77Å; M66-K86 HydrophobicContact CG-CB 4.15Å; M66-K86 HydrophobicContact SD-CB 4.34Å; K86-F88 HydrophobicContact CD-CE1 4.29Å; K86-F88 HydrophobicContact CD-CZ 4.41Å; K86-F88 HydrophobicContact CG-CE1 4.42Å; K86-F88 HydrophobicContact CG-CZ 4.44Å
87	I	83.6	Confident	75.9	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.5	-179.4	-54.6	172.6	0	0	0	108.4	T33 F35 L61 I85 L90 F98	T33-I87 WeakPolarHBondContact CB-O 3.28Å; T33-I87 WeakPolarHBondContact CG2-O 3.49Å; T33-I87 PolarHBondContact O-N 3.35Å; F35-I87 HydrophobicContact CD2-CD1 3.76Å; F35-I87 HydrophobicContact CD2-CG1 4.31Å; F35-I87 HydrophobicContact CE2-CD1 3.86Å; F35-I87 HydrophobicContact CE2-CG1 4.47Å; L61-I87 HydrophobicContact CB-CG2 4.11Å; L61-I87 HydrophobicContact CD1-CG2 4.25Å; L61-I87 HydrophobicContact CD2-CG2 4.41Å; L61-I87 HydrophobicContact CG-CG2 4.5Å; I85-I87 HydrophobicContact CG2-CG1 3.95Å; I87-L90 HydrophobicContact CB-CD1 3.44Å; I87-L90 VanDerWaalsContact CB-CD1 3.44Å; I87-L90 HydrophobicContact CB-CG 4.09Å; I87-L90 HydrophobicContact CD1-CD1 4Å; I87-L90 HydrophobicContact CG1-CD1 4.28Å; I87-L90 HydrophobicContact CG2-CD1 3.51Å; I87-L90 HydrophobicContact CG2-CD2 4.16Å; I87-L90 HydrophobicContact CG2-CG 3.55Å; I87-F98 HydrophobicContact CD1-CD1 3.79Å; I87-F98 HydrophobicContact CD1-CD2 4.04Å; I87-F98 HydrophobicContact CD1-CE1 3.35Å; I87-F98 HydrophobicContact CD1-CE2 3.62Å; I87-F98 HydrophobicContact CD1-CG 4.11Å; I87-F98 HydrophobicContact CD1-CZ 3.25Å; I87-F98 HydrophobicContact CG1-CZ 4.46Å
88	F	80.4	Confident	76.9	Confident	87 Å²	87	56 Å²	56	38%	0.382	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	140.2	-179.6	-53.9	-80	0	0	0	109.7	N62 S64 K86	N62-F88 HydrophobicContact CB-CB 4.11Å; N62-F88 HydrophobicContact CB-CD2 4.15Å; N62-F88 WeakPolarHBondContact O-CD2 3.44Å; N62-F88 PolarHBondContact O-N 2.7Å; S64-F88 WeakPolarHBondContact OG-CE2 2.74Å; S64-F88 WeakPolarHBondContact OG-CZ 3.43Å; K86-F88 HydrophobicContact CD-CE1 4.29Å; K86-F88 HydrophobicContact CD-CZ 4.41Å; K86-F88 HydrophobicContact CG-CE1 4.42Å; K86-F88 HydrophobicContact CG-CZ 4.44Å
89	N	70.5	Confident	77.6	Confident	144 Å²	144	54.4 Å²	54.4	77%	0.77	27%	0.273	S	S	*	.	S	Bend	trans	60.7	48.4	175.1	-53.6	-18.8	0	0	0	114.9
90	L	65.7	Low	77.5	Confident	40 Å²	40	53.8 Å²	53.8	21%	0.209	27%	0.272	C	S	.	.			trans	-83.2	129.9	172	-86.9	158.3	0	0	0	111.6	F35 L61 I87 D94 V95	F35-L90 HydrophobicContact CE2-CD1 3.73Å; F35-L90 HydrophobicContact CZ-CD1 4.18Å; L61-L90 HydrophobicContact CD1-CD2 4.12Å; L61-L90 HydrophobicContact CD2-CD2 4.34Å; I87-L90 HydrophobicContact CB-CD1 3.44Å; I87-L90 VanDerWaalsContact CB-CD1 3.44Å; I87-L90 HydrophobicContact CB-CG 4.09Å; I87-L90 HydrophobicContact CD1-CD1 4Å; I87-L90 HydrophobicContact CG1-CD1 4.28Å; I87-L90 HydrophobicContact CG2-CD1 3.51Å; I87-L90 HydrophobicContact CG2-CD2 4.16Å; I87-L90 HydrophobicContact CG2-CG 3.55Å; L90-D94 HydrophobicContact CD2-CB 3.53Å; L90-V95 HydrophobicContact CB-CG2 4.12Å; L90-V95 HydrophobicContact CD1-CG2 4.1Å; L90-V95 HydrophobicContact CD2-CG2 4Å; L90-V95 HydrophobicContact CG-CG2 4.31Å
91	S	66.5	Low	77.2	Confident	57 Å²	57	58.1 Å²	58.1	40%	0.399	29%	0.289	S	S	.	.			trans	-82.2	161.7	156.8	80.9	0	0	0	0	110.4	M93 D94 V95	S91-M93 VanDerWaalsContact C-N 3.25Å; S91-M93 PolarHBondContact O-N 2.64Å; S91-D94 VanDerWaalsContact CB-OD2 3.26Å; S91-D94 WeakPolarHBondContact CB-OD2 3.41Å; S91-D94 PolarHBondContact N-OD2 3.2Å; S91-D94 VanDerWaalsContact N-OD2 3.08Å; S91-D94 WeakPolarHBondContact O-CB 3.49Å; S91-D94 PolarHBondContact O-N 2.74Å; S91-D94 VanDerWaalsContact O-N 3.09Å; S91-D94 PolarHBondContact OG-N 3.46Å; S91-D94 PolarHBondContact OG-OD2 3.27Å; S91-V95 PolarHBondContact O-N 2.86Å
92	R	59	Low	77	Confident	162 Å²	162	57.4 Å²	57.4	61%	0.611	29%	0.286	S	S	*	.	H	α-helix	trans	-56.2	-38.9	176.3	-76.7	-170.1	-174.8	-172.9	6.6	113.3	D94 V95	R92-D94 PolarHBondContact O-N 3.36Å; R92-V95 PolarHBondContact O-N 2.56Å
93	M	56.5	Low	76.6	Confident	150 Å²	150	60.1 Å²	60.1	74%	0.739	31%	0.305	S	S	*	.	H	α-helix	trans	-68.4	-30.8	-178.4	-145.7	175.4	-76.9	0	0	110.8	S91 N97	S91-M93 VanDerWaalsContact C-N 3.25Å; S91-M93 PolarHBondContact O-N 2.64Å; M93-N97 PolarHBondContact O-N 2.95Å; M93-N97 PolarHBondContact O-ND2 2.81Å
94	D	69.6	Low	76.3	Confident	58 Å²	58	66.2 Å²	66.2	31%	0.31	34%	0.337	S	S	.	.	H	α-helix	trans	-70.5	-34.7	175.7	-57.9	-42.4	0	0	0	112.4	L90 S91 R92 F98	L90-D94 HydrophobicContact CD2-CB 3.53Å; S91-D94 VanDerWaalsContact CB-OD2 3.26Å; S91-D94 WeakPolarHBondContact CB-OD2 3.41Å; S91-D94 PolarHBondContact N-OD2 3.2Å; S91-D94 VanDerWaalsContact N-OD2 3.08Å; S91-D94 WeakPolarHBondContact O-CB 3.49Å; S91-D94 PolarHBondContact O-N 2.74Å; S91-D94 VanDerWaalsContact O-N 3.09Å; S91-D94 PolarHBondContact OG-N 3.46Å; S91-D94 PolarHBondContact OG-OD2 3.27Å; R92-D94 PolarHBondContact O-N 3.36Å; D94-F98 WeakPolarHBondContact O-CB 3.35Å; D94-F98 PolarHBondContact O-N 2.73Å
95	V	68.2	Low	76.3	Confident	31 Å²	31	67.3 Å²	67.3	19%	0.188	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-47.4	-179.7	175.8	0	0	0	0	111.8	F35 L90 S91 R92 F98 I99	F35-V95 HydrophobicContact CE1-CG1 3.83Å; F35-V95 HydrophobicContact CZ-CG1 3.77Å; F35-V95 HydrophobicContact CZ-CG2 4.27Å; L90-V95 HydrophobicContact CB-CG2 4.12Å; L90-V95 HydrophobicContact CD1-CG2 4.1Å; L90-V95 HydrophobicContact CD2-CG2 4Å; L90-V95 HydrophobicContact CG-CG2 4.31Å; S91-V95 PolarHBondContact O-N 2.86Å; R92-V95 PolarHBondContact O-N 2.56Å; V95-F98 WeakPolarHBondContact O-CB 3.18Å; V95-F98 PolarHBondContact O-N 3.18Å; V95-I99 HydrophobicContact CG1-CD1 3.88Å; V95-I99 HydrophobicContact CG1-CG1 4.44Å; V95-I99 WeakPolarHBondContact O-CG1 3.42Å; V95-I99 PolarHBondContact O-N 3.48Å
96	S	66.8	Low	76.1	Confident	74 Å²	74	72 Å²	72	52%	0.517	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-46.9	-179.3	-171.3	0	0	0	0	111.3	F98 I99 Q100	S96-F98 VanDerWaalsContact C-N 3.27Å; S96-F98 PolarHBondContact O-N 2.8Å; S96-I99 PolarHBondContact O-N 2.98Å; S96-Q100 WeakPolarHBondContact O-CB 3.15Å; S96-Q100 PolarHBondContact O-N 3.3Å
97	N	73.8	Confident	76.2	Confident	84 Å²	84	73.5 Å²	73.5	45%	0.449	39%	0.385	S	S	.	.	H	α-helix	trans	-60.3	-39.5	176.7	-72.2	-24	0	0	0	111.5	M93 Y101	M93-N97 PolarHBondContact O-N 2.95Å; M93-N97 PolarHBondContact O-ND2 2.81Å; N97-Y101 WeakPolarHBondContact O-CB 3.29Å; N97-Y101 PolarHBondContact O-N 3.4Å
98	F	76.9	Confident	76.6	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.009	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-51.2	177	175.5	-100.7	0	0	0	112.5	F35 L56 L61 I87 D94 V95 S96 Q100 Y101 L102	F35-F98 HydrophobicContact CB-CE1 4.41Å; F35-F98 HydrophobicContact CD2-CE1 4.08Å; F35-F98 HydrophobicContact CG-CE1 4.09Å; L56-F98 HydrophobicContact CD2-CE2 3.63Å; L56-F98 HydrophobicContact CD2-CZ 4.21Å; L61-F98 HydrophobicContact CD1-CD2 4.3Å; I87-F98 HydrophobicContact CD1-CD1 3.79Å; I87-F98 HydrophobicContact CD1-CD2 4.04Å; I87-F98 HydrophobicContact CD1-CE1 3.35Å; I87-F98 HydrophobicContact CD1-CE2 3.62Å; I87-F98 HydrophobicContact CD1-CG 4.11Å; I87-F98 HydrophobicContact CD1-CZ 3.25Å; I87-F98 HydrophobicContact CG1-CZ 4.46Å; D94-F98 WeakPolarHBondContact O-CB 3.35Å; D94-F98 PolarHBondContact O-N 2.73Å; V95-F98 WeakPolarHBondContact O-CB 3.18Å; V95-F98 PolarHBondContact O-N 3.18Å; S96-F98 VanDerWaalsContact C-N 3.27Å; S96-F98 PolarHBondContact O-N 2.8Å; F98-Q100 VanDerWaalsContact C-N 3.32Å; F98-Q100 PolarHBondContact O-N 2.83Å; F98-Y101 PolarHBondContact O-N 2.99Å; F98-L102 HydrophobicContact CD1-CD1 4.37Å; F98-L102 HydrophobicContact CD2-CD1 4.45Å; F98-L102 HydrophobicContact CE1-CD1 3.59Å; F98-L102 HydrophobicContact CE2-CD1 3.69Å; F98-L102 HydrophobicContact CE2-CG 4.13Å; F98-L102 HydrophobicContact CZ-CD1 3.18Å; F98-L102 HydrophobicContact CZ-CG 4.09Å; F98-L102 PolarHBondContact O-N 2.99Å
99	I	78.6	Confident	76.9	Confident	34 Å²	34	71.8 Å²	71.8	17%	0.174	38%	0.377	C	S	.	.	H	α-helix	trans	-59.5	-45.6	177.9	-69.1	172.2	0	0	0	110	F35 V95 S96 L102 S103 V111	F35-I99 HydrophobicContact CD1-CD1 4.42Å; F35-I99 HydrophobicContact CD1-CG1 4.33Å; F35-I99 HydrophobicContact CE1-CD1 4.04Å; F35-I99 HydrophobicContact CE1-CG1 4.2Å; V95-I99 HydrophobicContact CG1-CD1 3.88Å; V95-I99 HydrophobicContact CG1-CG1 4.44Å; V95-I99 WeakPolarHBondContact O-CG1 3.42Å; V95-I99 PolarHBondContact O-N 3.48Å; S96-I99 PolarHBondContact O-N 2.98Å; I99-L102 PolarHBondContact O-N 2.86Å; I99-S103 VanDerWaalsContact O-CB 3.23Å; I99-S103 WeakPolarHBondContact O-CB 3.39Å; I99-S103 PolarHBondContact O-N 3.16Å; I99-S103 PolarHBondContact O-OG 3.01Å; I99-V111 HydrophobicContact CG1-CG1 4.2Å; I99-V111 HydrophobicContact CG2-CB 4.39Å
100	Q	79.7	Confident	77.8	Confident	114 Å²	114	65.8 Å²	65.8	53%	0.533	35%	0.347	S	S	.	.	H	α-helix	trans	-65	-44.3	-179.5	-172	176.8	6.9	0	0	112.1	S96 F98 L102 S103 N104	S96-Q100 WeakPolarHBondContact O-CB 3.15Å; S96-Q100 PolarHBondContact O-N 3.3Å; F98-Q100 VanDerWaalsContact C-N 3.32Å; F98-Q100 PolarHBondContact O-N 2.83Å; Q100-L102 PolarHBondContact O-N 3.45Å; Q100-S103 PolarHBondContact O-N 2.79Å; Q100-N104 PolarHBondContact O-N 3.27Å; Q100-N104 PolarHBondContact O-ND2 3.35Å
101	Y	83.2	Confident	78.8	Confident	90 Å²	90	64.5 Å²	64.5	35%	0.353	34%	0.341	S	S	.	.	H	α-helix	trans	-57.9	-49	177.1	174.2	-101.6	0	0	0	111.6	I55 S58 F59 N97 F98 N104	I55-Y101 HydrophobicContact CG2-CE1 3.6Å; S58-Y101 PolarHBondContact OG-OH 2.66Å; F59-Y101 HydrophobicContact CD2-CD1 4.06Å; F59-Y101 HydrophobicContact CD2-CE1 4.01Å; F59-Y101 AromaticContact CE2-CD1 3.76Å; F59-Y101 HydrophobicContact CE2-CD1 3.76Å; F59-Y101 HydrophobicContact CE2-CD2 4.19Å; F59-Y101 HydrophobicContact CE2-CE1 4.11Å; F59-Y101 AromaticContact CE2-CG 3.8Å; F59-Y101 HydrophobicContact CE2-CG 3.8Å; N97-Y101 WeakPolarHBondContact O-CB 3.29Å; N97-Y101 PolarHBondContact O-N 3.4Å; F98-Y101 PolarHBondContact O-N 2.99Å; Y101-N104 PolarHBondContact O-N 3.41Å
102	L	85.6	Confident	79.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.9	-35.1	178.9	-71.1	-172.7	0	0	0	113.1	I37 I55 L56 F98 I99 Q100 N104 V105 I108 V111	I37-L102 HydrophobicContact CD1-CD1 3.62Å; I37-L102 HydrophobicContact CG1-CD1 4.26Å; I55-L102 HydrophobicContact CG2-CD2 3.72Å; L56-L102 HydrophobicContact CD2-CD2 4.19Å; F98-L102 HydrophobicContact CD1-CD1 4.37Å; F98-L102 HydrophobicContact CD2-CD1 4.45Å; F98-L102 HydrophobicContact CE1-CD1 3.59Å; F98-L102 HydrophobicContact CE2-CD1 3.69Å; F98-L102 HydrophobicContact CE2-CG 4.13Å; F98-L102 HydrophobicContact CZ-CD1 3.18Å; F98-L102 HydrophobicContact CZ-CG 4.09Å; F98-L102 PolarHBondContact O-N 2.99Å; I99-L102 PolarHBondContact O-N 2.86Å; Q100-L102 PolarHBondContact O-N 3.45Å; L102-N104 PolarHBondContact O-N 2.98Å; L102-V105 WeakPolarHBondContact O-CB 3.16Å; L102-V105 PolarHBondContact O-N 2.84Å; L102-I108 HydrophobicContact CB-CD1 4.06Å; L102-I108 HydrophobicContact CD2-CD1 4.01Å; L102-V111 HydrophobicContact CB-CG2 3.57Å; L102-V111 HydrophobicContact CD1-CG1 4.49Å; L102-V111 HydrophobicContact CD1-CG2 4.08Å
103	S	84.3	Confident	80.5	Confident	58 Å²	58	56.1 Å²	56.1	41%	0.406	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-22.6	178.4	-60.4	0	0	0	0	112.7	I99 Q100 V105	I99-S103 VanDerWaalsContact O-CB 3.23Å; I99-S103 WeakPolarHBondContact O-CB 3.39Å; I99-S103 PolarHBondContact O-N 3.16Å; I99-S103 PolarHBondContact O-OG 3.01Å; Q100-S103 PolarHBondContact O-N 2.79Å; S103-V105 VanDerWaalsContact C-N 3.29Å
104	N	86	Confident	81.8	Confident	132 Å²	132	49.1 Å²	49.1	71%	0.706	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.9	174.4	-72.6	-22.5	0	0	0	113.8	Q100 Y101 L102	Q100-N104 PolarHBondContact O-N 3.27Å; Q100-N104 PolarHBondContact O-ND2 3.35Å; Y101-N104 PolarHBondContact O-N 3.41Å; L102-N104 PolarHBondContact O-N 2.98Å
105	V	89	Confident	82.3	Confident	27 Å²	27	47.4 Å²	47.4	16%	0.164	26%	0.261	C	S	.	.	S	Bend	trans	-81.3	122.2	179	-179.4	0	0	0	0	110	F51 I55 L102 S103 Q107 I108	F51-V105 HydrophobicContact CE2-CG1 4.47Å; F51-V105 HydrophobicContact CZ-CG1 3.73Å; I55-V105 HydrophobicContact CD1-CG1 3.9Å; I55-V105 HydrophobicContact CD1-CG2 4.38Å; L102-V105 WeakPolarHBondContact O-CB 3.16Å; L102-V105 PolarHBondContact O-N 2.84Å; S103-V105 VanDerWaalsContact C-N 3.29Å; V105-Q107 VanDerWaalsContact C-N 3.28Å; V105-Q107 PolarHBondContact O-N 2.87Å; V105-Q107 VanDerWaalsContact O-N 3.12Å; V105-I108 HydrophobicContact CB-CB 4.31Å; V105-I108 HydrophobicContact CB-CD1 3.97Å; V105-I108 HydrophobicContact CB-CG1 4.09Å; V105-I108 HydrophobicContact CG1-CD1 4.27Å; V105-I108 HydrophobicContact CG1-CG1 4.16Å; V105-I108 HydrophobicContact CG2-CD1 4.37Å; V105-I108 PolarHBondContact O-N 2.9Å
106	S	87.5	Confident	82.7	Confident	99 Å²	99	47.7 Å²	47.7	69%	0.692	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.5	-169.5	62.6	0	0	0	0	115.8
107	Q	88.9	Confident	83.1	Confident	100 Å²	100	45 Å²	45	47%	0.467	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-16.6	176.4	-57.5	88.3	-14.1	0	0	113.5	F51 V105	F51-Q107 HydrophobicContact CE1-CB 4.35Å; F51-Q107 HydrophobicContact CE2-CB 4.23Å; F51-Q107 HydrophobicContact CE2-CG 4.23Å; F51-Q107 HydrophobicContact CZ-CB 3.71Å; F51-Q107 HydrophobicContact CZ-CG 4.21Å; V105-Q107 VanDerWaalsContact C-N 3.28Å; V105-Q107 PolarHBondContact O-N 2.87Å; V105-Q107 VanDerWaalsContact O-N 3.12Å
108	I	91.2	Very high	82.8	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.2	177	-64.6	-178.7	0	0	0	107.8	I37 Y39 F51 L102 V105 V111	I37-I108 HydrophobicContact CG2-CD1 3.92Å; I37-I108 HydrophobicContact CG2-CG1 4.08Å; I37-I108 HydrophobicContact CG2-CG2 3.98Å; Y39-I108 HydrophobicContact CD1-CG1 4.32Å; Y39-I108 HydrophobicContact CE1-CG1 4.24Å; F51-I108 HydrophobicContact CE1-CD1 4.47Å; F51-I108 HydrophobicContact CE1-CG1 4.13Å; F51-I108 HydrophobicContact CZ-CG1 4.5Å; L102-I108 HydrophobicContact CB-CD1 4.06Å; L102-I108 HydrophobicContact CD2-CD1 4.01Å; V105-I108 HydrophobicContact CB-CB 4.31Å; V105-I108 HydrophobicContact CB-CD1 3.97Å; V105-I108 HydrophobicContact CB-CG1 4.09Å; V105-I108 HydrophobicContact CG1-CD1 4.27Å; V105-I108 HydrophobicContact CG1-CG1 4.16Å; V105-I108 HydrophobicContact CG2-CD1 4.37Å; V105-I108 PolarHBondContact O-N 2.9Å; I108-V111 HydrophobicContact CG2-CG2 3.76Å
109	K	88.5	Confident	82.3	Confident	47 Å²	47	43.3 Å²	43.3	20%	0.204	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-45.3	177.9	178.1	-173.3	170.1	-158.6	0	110.9	S38 Y40 D326	S38-K109 PolarHBondContact O-N 2.99Å; Y40-K109 HydrophobicContact CD1-CB 4.16Å; Y40-K109 HydrophobicContact CD1-CD 4.43Å; Y40-K109 HydrophobicContact CD1-CG 4.12Å; Y40-K109 HydrophobicContact CD2-CB 4.1Å; Y40-K109 HydrophobicContact CE1-CB 4.06Å; Y40-K109 HydrophobicContact CE1-CG 3.83Å; Y40-K109 HydrophobicContact CE2-CB 3.99Å; Y40-K109 HydrophobicContact CG-CB 4.19Å; K109-D326 WeakPolarHBondContact CE-OD2 3.29Å; K109-D326 IonicContact NZ-OD2 3.8Å; K109-D326 PolarHBondContact NZ-OD2 3.26Å
110	S	87.9	Confident	81.5	Confident	18 Å²	18	44.2 Å²	44.2	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	149.6	178.8	53.5	0	0	0	0	110.8	S38	S38-S110 PolarHBondContact N-O 3.33Å; S38-S110 PolarHBondContact O-N 3.42Å
111	V	86.8	Confident	80.6	Confident	13 Å²	13	39.8 Å²	39.8	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.6	166.6	-176.4	0	0	0	0	107.6	F35 I36 I37 I99 L102 I108	F35-V111 HydrophobicContact CB-CG1 4.26Å; F35-V111 HydrophobicContact CD1-CG1 4.48Å; I36-V111 WeakPolarHBondContact O-CA 3.39Å; I37-V111 HydrophobicContact CG1-CG1 4.35Å; I37-V111 HydrophobicContact CG1-CG2 4.29Å; I37-V111 HydrophobicContact CG2-CG2 4.49Å; I99-V111 HydrophobicContact CG1-CG1 4.2Å; I99-V111 HydrophobicContact CG2-CB 4.39Å; L102-V111 HydrophobicContact CB-CG2 3.57Å; L102-V111 HydrophobicContact CD1-CG1 4.49Å; L102-V111 HydrophobicContact CD1-CG2 4.08Å; I108-V111 HydrophobicContact CG2-CG2 3.76Å
112	S	83.1	Confident	79.1	Confident	21 Å²	21	38.3 Å²	38.3	15%	0.147	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140	-179.6	-61.1	0	0	0	0	108.7	F35 I36 P323	F35-S112 CarbonylContact C-O 3.59Å; I36-S112 WeakPolarHBondContact CA-O 3.41Å; I36-S112 WeakPolarHBondContact CB-O 3.29Å; I36-S112 PolarHBondContact N-O 2.77Å; I36-S112 PolarHBondContact O-N 2.91Å; S112-P323 WeakPolarHBondContact OG-CG 3.48Å
113	P	79.2	Confident	77.6	Confident	21 Å²	21	41.2 Å²	41.2	14%	0.136	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	141.7	174.3	-11.2	26.5	0	0	0	110.1	V30 F35 K115	V30-P113 HydrophobicContact CB-CB 3.85Å; V30-P113 HydrophobicContact CG1-CB 2.98Å; V30-P113 HydrophobicContact CG1-CG 3.92Å; V30-P113 HydrophobicContact CG2-CB 3.62Å; V30-P113 HydrophobicContact CG2-CG 4.17Å; F35-P113 HydrophobicContact CD1-CB 4.37Å; F35-P113 HydrophobicContact CE1-CB 4.42Å; P113-K115 PolarHBondContact O-N 2.88Å
114	Q	83.3	Confident	75.7	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.1	-179.6	165.6	72.7	-20.7	0	0	110.3	V30 V31 E34 I36 Y291 S293	V30-Q114 CarbonylContact C-O 3.52Å; V30-Q114 VanDerWaalsContact C-O 3.31Å; V30-Q114 WeakPolarHBondContact CA-O 3.09Å; V31-Q114 HydrophobicContact CB-CB 4.38Å; V31-Q114 HydrophobicContact CB-CG 4.19Å; V31-Q114 HydrophobicContact CG2-CG 4Å; V31-Q114 PolarHBondContact N-O 2.9Å; E34-Q114 HydrophobicContact CB-CB 3.73Å; E34-Q114 HydrophobicContact CB-CG 4.1Å; E34-Q114 VanDerWaalsContact O-CB 3.29Å; E34-Q114 WeakPolarHBondContact O-CB 3.47Å; E34-Q114 PolarHBondContact O-N 2.88Å; I36-Q114 VanDerWaalsContact CD1-OE1 3.23Å; I36-Q114 HydrophobicContact CG1-CB 4.12Å; I36-Q114 VanDerWaalsContact CG1-OE1 3.31Å; Q114-Y291 HydrophobicContact CG-CD1 4.28Å; Q114-Y291 VanDerWaalsContact NE2-CB 3.3Å; Q114-S293 VanDerWaalsContact NE2-CB 3.34Å; Q114-S293 PolarHBondContact NE2-OG 2.8Å; Q114-S293 VanDerWaalsContact OE1-CB 3.32Å
115	K	79.1	Confident	73.5	Confident	23 Å²	23	43.2 Å²	43.2	10%	0.1	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.9	173	-57.5	-180	178.5	-175.8	0	112.4	S29 V30 P113 Y291 T292 D318 D321	S29-K115 CarbonylContact O-C 3.52Å; S29-K115 WeakPolarHBondContact O-CA 3.46Å; V30-K115 HydrophobicContact CB-CG 4.49Å; V30-K115 HydrophobicContact CG2-CD 4.28Å; V30-K115 HydrophobicContact CG2-CG 3.53Å; P113-K115 PolarHBondContact O-N 2.88Å; K115-Y291 CarbonylContact O-C 3.59Å; K115-Y291 WeakPolarHBondContact O-CA 3.33Å; K115-Y291 WeakPolarHBondContact O-CB 3.27Å; K115-T292 WeakPolarHBondContact CB-OG1 3.4Å; K115-T292 PolarHBondContact O-N 3.12Å; K115-T292 PolarHBondContact O-OG1 2.93Å; K115-D318 WeakPolarHBondContact CD-OD2 3.47Å; K115-D318 WeakPolarHBondContact CE-OD2 3.36Å; K115-D318 IonicContact NZ-OD1 3.8Å; K115-D318 PolarHBondContact NZ-OD1 2.92Å; K115-D318 IonicContact NZ-OD2 2.7Å; K115-D318 PolarHBondContact NZ-OD2 2.98Å; K115-D321 HydrophobicContact CD-CB 4.1Å
116	Q	77.5	Confident	71.1	Confident	37 Å²	37	45.5 Å²	45.5	17%	0.173	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	155.3	160	174.2	-175.5	-52.8	0	0	107.5	S28 S29 V31 I289 S290 Y291	S28-Q116 WeakPolarHBondContact CA-O 3.39Å; S29-Q116 WeakPolarHBondContact CA-O 3.22Å; S29-Q116 VanDerWaalsContact CB-C 3.48Å; S29-Q116 WeakPolarHBondContact CB-O 3.49Å; S29-Q116 PolarHBondContact N-O 2.75Å; S29-Q116 PolarHBondContact O-N 3.26Å; S29-Q116 VanDerWaalsContact OG-CB 3.32Å; S29-Q116 WeakPolarHBondContact OG-CB 3.26Å; V31-Q116 HydrophobicContact CG2-CB 4.11Å; Q116-I289 HydrophobicContact CG-CG2 3.52Å; Q116-S290 CarbonylContact C-O 3.54Å; Q116-S290 WeakPolarHBondContact CA-O 3.22Å; Q116-S290 WeakPolarHBondContact CG-O 3.43Å; Q116-Y291 HydrophobicContact CB-CD1 3.54Å; Q116-Y291 HydrophobicContact CB-CE1 3.44Å; Q116-Y291 VanDerWaalsContact CB-CE1 3.44Å; Q116-Y291 HydrophobicContact CB-CG 4.32Å; Q116-Y291 HydrophobicContact CG-CD1 4.16Å; Q116-Y291 HydrophobicContact CG-CE1 3.79Å; Q116-Y291 VanDerWaalsContact OE1-CZ 3.26Å; Q116-Y291 PolarHBondContact OE1-OH 2.66Å
117	I	74.1	Confident	68.6	Low	16 Å²	16	46.6 Å²	46.6	8%	0.082	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	117.8	-180	-62.5	172.6	0	0	0	104.6	Y26 I289 S290	Y26-I117 HydrophobicContact CD2-CG2 3.99Å; Y26-I117 HydrophobicContact CE2-CG2 3.3Å; I117-I289 CarbonylContact O-C 3.54Å; I117-I289 WeakPolarHBondContact O-CA 3.44Å; I117-S290 PolarHBondContact N-O 3.33Å; I117-S290 PolarHBondContact O-N 3.38Å
118	N	69.5	Low	66.1	Low	49 Å²	49	45.5 Å²	45.5	26%	0.262	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.7	169.4	-168.1	12.1	0	0	0	108.3	V27 I289	V27-N118 PolarHBondContact N-O 3.48Å; V27-N118 PolarHBondContact O-N 2.92Å; N118-I289 HydrophobicContact CB-CG1 4.49Å
119	R	65.6	Low	63	Low	2 Å²	2	47.6 Å²	47.6	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.8	179.6	-175	-169.5	79.3	162.7	-6.2	109.1	Y24 L121 F284 Q288	Y24-R119 HydrophobicContact CD1-CG 3.77Å; Y24-R119 HydrophobicContact CE1-CG 4.38Å; R119-L121 PolarHBondContact O-N 3.09Å; R119-F284 HydrophobicContact CB-CE1 4.49Å; R119-Q288 HydrophobicContact CB-CB 4.44Å; R119-Q288 PolarHBondContact N-O 3.13Å; R119-Q288 VanDerWaalsContact NE-OE1 3.1Å; R119-Q288 WeakPolarHBondContact O-CB 3.45Å; R119-Q288 PolarHBondContact O-NE2 3.07Å; R119-Q288 PolarHBondContact O-OE1 2.77Å; R119-Q288 VanDerWaalsContact O-OE1 3.13Å
120	V	61.9	Low	60	Low	54 Å²	54	53.7 Å²	53.7	33%	0.327	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	104.8	170.7	-171.5	0	0	0	0	108.3	E25 L122	E25-V120 HydrophobicContact CB-CB 4.22Å; E25-V120 PolarHBondContact N-O 3.26Å; E25-V120 PolarHBondContact O-N 3.15Å; V120-L122 HydrophobicContact CG1-CD2 3.82Å; V120-L122 HydrophobicContact CG1-CG 4.16Å; V120-L122 PolarHBondContact O-N 3.45Å
121	L	59.6	Low	57.3	Low	21 Å²	21	61.2 Å²	61.2	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	104.5	161.8	-90.5	173.2	0	0	0	109.7	L22 Y24 R119 H233 H235 Q288	L22-L121 HydrophobicContact CB-CD2 4.13Å; L22-L121 HydrophobicContact CD2-CD2 3.67Å; L22-L121 HydrophobicContact CG-CD2 4.33Å; Y24-L121 HydrophobicContact CD1-CD2 3.65Å; Y24-L121 HydrophobicContact CD1-CG 4.17Å; Y24-L121 HydrophobicContact CE1-CD2 3.07Å; Y24-L121 HydrophobicContact CE1-CG 3.74Å; R119-L121 PolarHBondContact O-N 3.09Å; L121-H233 WeakPolarHBondContact CD1-NE2 2.9Å; L121-H235 HydrophobicContact CD1-CB 4.05Å; L121-H235 VanDerWaalsContact CD1-CD2 3.49Å; L121-H235 WeakPolarHBondContact CD1-CD2 3.01Å; L121-Q288 VanDerWaalsContact CD1-OE1 3.25Å
122	L	52.8	Low	54.3	Low	58 Å²	58	66.8 Å²	66.8	30%	0.304	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.1	170	-64.6	172.9	0	0	0	107.9	S23 V120 Y124	S23-L122 PolarHBondContact N-O 2.8Å; S23-L122 PolarHBondContact O-N 2.94Å; S23-L122 WeakPolarHBondContact OG-CB 3.33Å; V120-L122 HydrophobicContact CG1-CD2 3.82Å; V120-L122 HydrophobicContact CG1-CG 4.16Å; V120-L122 PolarHBondContact O-N 3.45Å; L122-Y124 HydrophobicContact CB-CD2 4.21Å; L122-Y124 HydrophobicContact CB-CE2 3.8Å; L122-Y124 HydrophobicContact CD1-CE2 4.18Å
123	N	54	Low	51.5	Low	62 Å²	62	73.8 Å²	73.8	33%	0.332	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	98.7	176.7	-141.9	34.8	0	0	0	107.2	S20 L22 D125 R414	S20-N123 WeakPolarHBondContact CB-ND2 3.35Å; S20-N123 WeakPolarHBondContact CB-OD1 3.42Å; S20-N123 PolarHBondContact OG-ND2 3.42Å; S20-N123 PolarHBondContact OG-OD1 2.8Å; L22-N123 VanDerWaalsContact CD2-OD1 3.28Å; L22-N123 WeakPolarHBondContact CD2-OD1 3.22Å; N123-D125 PolarHBondContact O-N 3.38Å; N123-R414 PolarHBondContact ND2-NH2 3.23Å
124	Y	44.1	Very low	48.9	Very low	132 Å²	132	80.9 Å²	80.9	52%	0.518	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	106.5	173.9	-76.4	-87.5	0	0	0	108.3	S20 M21 S23 L122 I126	S20-Y124 CarbonylContact C-O 3.47Å; S20-Y124 WeakPolarHBondContact CA-O 3.41Å; M21-Y124 PolarHBondContact N-O 3.09Å; M21-Y124 PolarHBondContact O-N 3Å; S23-Y124 VanDerWaalsContact OG-CE2 3.26Å; S23-Y124 WeakPolarHBondContact OG-CE2 3.37Å; L122-Y124 HydrophobicContact CB-CD2 4.21Å; L122-Y124 HydrophobicContact CB-CE2 3.8Å; L122-Y124 HydrophobicContact CD1-CE2 4.18Å; Y124-I126 PolarHBondContact O-N 3.34Å; Y124-I126 VanDerWaalsContact O-N 3.12Å
125	D	40.3	Very low	46.1	Very low	100 Å²	100	85.3 Å²	85.3	54%	0.535	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	115.5	162.3	-73.5	-27.8	0	0	0	107.2	N123 N127	N123-D125 PolarHBondContact O-N 3.38Å; D125-N127 PolarHBondContact O-N 3.31Å
126	I	38.9	Very low	43.3	Very low	74 Å²	74	89.4 Å²	89.4	38%	0.379	48%	0.476	S	S	.	.			trans	-69.2	82.3	170.8	-55	169.7	0	0	0	105.9	F19 M21 Y124 D128	F19-I126 HydrophobicContact CB-CD1 4.4Å; F19-I126 WeakPolarHBondContact O-CG1 3.12Å; F19-I126 PolarHBondContact O-N 3.27Å; M21-I126 HydrophobicContact CB-CD1 4.31Å; M21-I126 HydrophobicContact CB-CG1 4.38Å; Y124-I126 PolarHBondContact O-N 3.34Å; Y124-I126 VanDerWaalsContact O-N 3.12Å; I126-D128 PolarHBondContact O-N 2.8Å
127	N	33.4	Very low	40.7	Very low	123 Å²	123	98.6 Å²	98.6	66%	0.658	51%	0.509	S	S	*	.			trans	-74	109.8	160	-86.3	-29.2	0	0	0	105.8	D125 G129	D125-N127 PolarHBondContact O-N 3.31Å; N127-G129 PolarHBondContact O-N 3.34Å
128	D	36.5	Very low	38.5	Very low	76 Å²	76	106.3 Å²	106.3	41%	0.406	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	8.7	-177.8	-72.8	-37.9	0	0	0	115.3	I126 Q151	I126-D128 PolarHBondContact O-N 2.8Å; D128-Q151 PolarHBondContact OD2-NE2 2.75Å
129	G	27.3	Very low	36.3	Very low	49 Å²	49	111.4 Å²	111.4	51%	0.505	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	-31.9	-179.8	0	0	0	0	0	115.4	N127 F131 L132	N127-G129 PolarHBondContact O-N 3.34Å; G129-F131 VanDerWaalsContact C-N 3.34Å; G129-F131 PolarHBondContact O-N 3.36Å; G129-L132 PolarHBondContact O-N 2.93Å
130	E	25.8	Very low	34.4	Very low	176 Å²	176	115.7 Å²	115.7	82%	0.822	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-17.2	-171.5	-86.8	-167.8	159.3	0	0	114.6
131	F	29.7	Very low	32.6	Very low	176 Å²	176	124 Å²	124	77%	0.772	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	0.3	177.9	-80.8	-79.5	0	0	0	114.9	G129	G129-F131 VanDerWaalsContact C-N 3.34Å; G129-F131 PolarHBondContact O-N 3.36Å
132	L	25.3	Very low	31	Very low	129 Å²	129	134.5 Å²	134.5	68%	0.675	67%	0.671	S	S	*	*			trans	-108.8	7.1	-175.4	-77.8	170.3	0	0	0	115.7	G129 N134	G129-L132 PolarHBondContact O-N 2.93Å; L132-N134 PolarHBondContact O-N 2.8Å
133	H	24.1	Very low	29.6	Very low	168 Å²	168	139.1 Å²	139.1	78%	0.778	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	0	-176.6	-103.8	-59.4	0	0	0	116.6
134	N	24	Very low	28	Very low	170 Å²	170	144.4 Å²	144.4	91%	0.909	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	16.3	-179.3	-84.3	-13.2	0	0	0	116.8	L132	L132-N134 PolarHBondContact O-N 2.8Å
135	S	23.7	Very low	27	Very low	96 Å²	96	147.1 Å²	147.1	67%	0.671	74%	0.737	S	S	*	*			trans	-131.1	72.3	172.7	-162.6	0	0	0	0	112.1
136	S	22	Very low	26.2	Very low	109 Å²	109	150.9 Å²	150.9	76%	0.762	76%	0.756	S	S	*	*			trans	-81.2	134.1	161.3	52	0	0	0	0	108.9
137	R	22.9	Very low	25.7	Very low	231 Å²	231	156.3 Å²	156.3	87%	0.872	78%	0.778	S	S	*	*			trans	93.8	89.8	-179.4	-58	174.3	173.4	-173.7	-1.5	115.5
138	L	26.2	Very low	25.5	Very low	177 Å²	177	153.9 Å²	153.9	93%	0.927	78%	0.782	S	S	*	*			trans	-158.3	141.8	135.8	-107.6	134.6	0	0	0	111.9
139	D	25.2	Very low	25.3	Very low	157 Å²	157	157.5 Å²	157.5	84%	0.84	80%	0.801	S	S	*	*			trans	-68.6	159.1	-157.7	-95.4	-53	0	0	0	117.5
140	S	23.8	Very low	25.8	Very low	92 Å²	92	160.3 Å²	160.3	64%	0.643	81%	0.813	S	S	*	*			trans	-54.9	156.7	172.4	67.5	0	0	0	0	116.3
141	R	24.1	Very low	26.6	Very low	229 Å²	229	156.7 Å²	156.7	86%	0.864	80%	0.796	S	S	*	*			trans	82.4	104.4	161.3	-57.5	-179.9	175.7	-166.1	-1.7	117.8
142	R	26.3	Very low	27.7	Very low	241 Å²	241	159.6 Å²	159.6	91%	0.909	80%	0.802	S	S	*	*				-178.7	117.6	127.9	-97.7	161	-170.2	-164.5	4.4	112.4
143	N	22.9	Very low	29.4	Very low	154 Å²	154	157.4 Å²	157.4	82%	0.824	79%	0.785	S	S	*	*			trans	48.7	122.2	143.8	-65.3	-16	0	0	0	122.4	K145	N143-K145 PolarHBondContact O-N 2.82Å
144	L	21.7	Very low	31.7	Very low	173 Å²	173	151.9 Å²	151.9	91%	0.906	77%	0.766	S	S	*	*			trans	-34	124.7	155.8	-74.6	96.6	0	0	0	114.2
145	K	23.6	Very low	34.2	Very low	189 Å²	189	147.7 Å²	147.7	82%	0.822	75%	0.748	S	S	*	*			trans	-166.5	125.3	143	-106.7	171.6	-173.6	-175.9	0	108.8	N143 F147	N143-K145 PolarHBondContact O-N 2.82Å; K145-F147 PolarHBondContact O-N 3.08Å
146	L	22.9	Very low	37.1	Very low	179 Å²	179	143.2 Å²	143.2	94%	0.937	72%	0.716	S	S	*	*	S	Bend	trans	-21	8.3	171.8	-95.5	107.8	0	0	0	123.2	G148	L146-G148 PolarHBondContact O-N 3.11Å
147	F	27.6	Very low	40	Very low	189 Å²	189	140 Å²	140	83%	0.829	69%	0.692	S	S	*	*	S	Bend	trans	-94.2	90.9	159.6	-67.9	-83.8	0	0	0	106.3	K145 N149	K145-F147 PolarHBondContact O-N 3.08Å; F147-N149 PolarHBondContact O-N 2.96Å
148	G	29.2	Very low	43	Very low	72 Å²	72	131 Å²	131	74%	0.742	66%	0.661	S	S	*	*			trans	-44.3	133.7	167.5	0	0	0	0	0	108.3	L146 S150	L146-G148 PolarHBondContact O-N 3.11Å; G148-S150 PolarHBondContact O-N 3.09Å
149	N	32.8	Very low	45.9	Very low	152 Å²	152	123.5 Å²	123.5	81%	0.813	62%	0.623	S	S	*	*			trans	-13	115.5	178.7	-80	-16.1	0	0	0	111	F147 Q151	F147-N149 PolarHBondContact O-N 2.96Å; N149-Q151 PolarHBondContact O-N 3Å
150	S	37.9	Very low	48.8	Very low	108 Å²	108	116.3 Å²	116.3	76%	0.755	58%	0.584	S	S	*	*			trans	-56.8	85.6	173.2	-53.7	0	0	0	0	108.2	G148 R152	G148-S150 PolarHBondContact O-N 3.09Å; S150-R152 VanDerWaalsContact C-N 3.28Å; S150-R152 PolarHBondContact O-N 3.39Å
151	Q	42.8	Very low	51.6	Low	99 Å²	99	115.2 Å²	115.2	46%	0.463	57%	0.572	S	S	.	*			trans	-59.4	103.7	168.6	-76.8	-173.7	-29.2	0	0	102.6	D128 N149 Y153	D128-Q151 PolarHBondContact OD2-NE2 2.75Å; N149-Q151 PolarHBondContact O-N 3Å; Q151-Y153 HydrophobicContact CB-CD2 4.47Å; Q151-Y153 HydrophobicContact CB-CE2 4.09Å; Q151-Y153 VanDerWaalsContact O-CD2 3.25Å; Q151-Y153 WeakPolarHBondContact O-CD2 3.42Å; Q151-Y153 PolarHBondContact O-N 3.24Å; Q151-Y153 PolarHBondContact OE1-OH 3.02Å
152	R	51.8	Low	54.1	Low	238 Å²	238	105.9 Å²	105.9	90%	0.898	54%	0.54	S	S	*	.			trans	-72.3	87.8	176.3	-78.4	-173.6	179.2	178.9	0.2	105.5	S150 S154	S150-R152 VanDerWaalsContact C-N 3.28Å; S150-R152 PolarHBondContact O-N 3.39Å; R152-S154 PolarHBondContact O-N 3.2Å
153	Y	61.7	Low	56.5	Low	82 Å²	82	97.8 Å²	97.8	32%	0.322	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-55.6	136	167.2	-68	-83.9	0	0	0	108.3	Q151 L158 P159	Q151-Y153 HydrophobicContact CB-CD2 4.47Å; Q151-Y153 HydrophobicContact CB-CE2 4.09Å; Q151-Y153 VanDerWaalsContact O-CD2 3.25Å; Q151-Y153 WeakPolarHBondContact O-CD2 3.42Å; Q151-Y153 PolarHBondContact O-N 3.24Å; Q151-Y153 PolarHBondContact OE1-OH 3.02Å; Y153-L158 HydrophobicContact CD1-CD1 4.28Å; Y153-L158 HydrophobicContact CD2-CD1 3.19Å; Y153-L158 HydrophobicContact CE2-CD1 3.47Å; Y153-L158 VanDerWaalsContact CE2-CD1 3.47Å; Y153-L158 HydrophobicContact CG-CD1 3.62Å; Y153-P159 HydrophobicContact CE1-CG 4.25Å
154	S	72.8	Confident	59.3	Low	53 Å²	53	93.8 Å²	93.8	37%	0.371	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-62.1	152.6	170	-69.3	0	0	0	0	109.4	R152 G156 T157 R372	R152-S154 PolarHBondContact O-N 3.2Å; S154-G156 PolarHBondContact O-N 3.24Å; S154-T157 PolarHBondContact N-OG1 3.15Å; S154-T157 PolarHBondContact O-N 3.34Å; S154-T157 VanDerWaalsContact O-N 3.14Å; S154-T157 PolarHBondContact O-OG1 2.99Å; S154-R372 PolarHBondContact O-NH2 3.01Å
155	P	76.7	Confident	62.5	Low	82 Å²	82	85.7 Å²	85.7	53%	0.532	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	134	171.9	-26.8	35.6	0	0	0	111.6	T157	P155-T157 VanDerWaalsContact C-N 3.34Å; P155-T157 PolarHBondContact O-N 3.42Å
156	G	83.3	Confident	65.7	Low	1 Å²	1	76.8 Å²	76.8	1%	0.01	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	14.5	-179.4	0	0	0	0	0	115.4	S154 D368 V373 A374 R375	S154-G156 PolarHBondContact O-N 3.24Å; G156-D368 VanDerWaalsContact CA-OD2 3.28Å; G156-D368 WeakPolarHBondContact CA-OD2 3.5Å; G156-D368 PolarHBondContact N-OD2 2.76Å; G156-V373 WeakPolarHBondContact CA-O 3.32Å; G156-A374 CarbonylContact O-C 3.56Å; G156-A374 VanDerWaalsContact O-CA 3.27Å; G156-A374 WeakPolarHBondContact O-CA 3.47Å; G156-R375 PolarHBondContact O-N 3.11Å
157	T	84.8	Confident	68.8	Low	43 Å²	43	69 Å²	69	26%	0.264	37%	0.368	S	S	.	.			trans	-123.3	8.5	179.4	77.7	0	0	0	0	114.1	S154 P155 P159 D368 R375	S154-T157 PolarHBondContact N-OG1 3.15Å; S154-T157 PolarHBondContact O-N 3.34Å; S154-T157 VanDerWaalsContact O-N 3.14Å; S154-T157 PolarHBondContact O-OG1 2.99Å; P155-T157 VanDerWaalsContact C-N 3.34Å; P155-T157 PolarHBondContact O-N 3.42Å; T157-P159 VanDerWaalsContact O-CD 3.3Å; T157-P159 WeakPolarHBondContact O-CD 3.41Å; T157-D368 PolarHBondContact N-OD2 3.38Å; T157-R375 HydrophobicContact CG2-CB 3.98Å
158	L	85.8	Confident	71.7	Confident	41 Å²	41	63.4 Å²	63.4	22%	0.215	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-76.6	117.5	-178.5	-174.1	71.2	0	0	0	110.7	Y153 D368 A369 L370	Y153-L158 HydrophobicContact CD1-CD1 4.28Å; Y153-L158 HydrophobicContact CD2-CD1 3.19Å; Y153-L158 HydrophobicContact CE2-CD1 3.47Å; Y153-L158 VanDerWaalsContact CE2-CD1 3.47Å; Y153-L158 HydrophobicContact CG-CD1 3.62Å; L158-D368 HydrophobicContact CB-CB 4.44Å; L158-D368 PolarHBondContact N-OD2 2.86Å; L158-D368 WeakPolarHBondContact O-CB 3.3Å; L158-A369 HydrophobicContact CB-CB 4.39Å; L158-A369 HydrophobicContact CD2-CB 3.98Å; L158-A369 HydrophobicContact CG-CB 4.02Å; L158-A369 WeakPolarHBondContact O-CB 3.33Å; L158-A369 PolarHBondContact O-N 2.84Å; L158-L370 HydrophobicContact CD2-CD1 4Å; L158-L370 HydrophobicContact CD2-CD2 3.95Å; L158-L370 HydrophobicContact CD2-CG 3.56Å
159	P	86.2	Confident	74.6	Confident	19 Å²	19	61.5 Å²	61.5	12%	0.123	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-70.3	154.4	176.9	29.9	-35.6	0	0	0	112.3	F19 Y153 T157 A369	F19-P159 HydrophobicContact CD1-CB 3.98Å; F19-P159 HydrophobicContact CD1-CG 4.48Å; F19-P159 HydrophobicContact CD2-CG 4.49Å; F19-P159 HydrophobicContact CE1-CB 3.78Å; F19-P159 HydrophobicContact CE1-CG 4.17Å; F19-P159 HydrophobicContact CE2-CG 4.18Å; F19-P159 HydrophobicContact CG-CB 4.5Å; F19-P159 HydrophobicContact CZ-CB 4.13Å; F19-P159 HydrophobicContact CZ-CG 4Å; Y153-P159 HydrophobicContact CE1-CG 4.25Å; T157-P159 VanDerWaalsContact O-CD 3.3Å; T157-P159 WeakPolarHBondContact O-CD 3.41Å; P159-A369 VanDerWaalsContact O-CB 3.28Å; P159-A369 WeakPolarHBondContact O-CB 3.08Å
160	L	85.6	Confident	77.4	Confident	6 Å²	6	54.8 Å²	54.8	3%	0.031	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-64.1	144.4	173.9	-70.5	177.9	0	0	0	112.2	P166 L169 A369 F400 T402 V404	L160-P166 HydrophobicContact CD1-CG 3.82Å; L160-L169 HydrophobicContact CD2-CD1 3.55Å; L160-A369 HydrophobicContact CD2-CB 3.79Å; L160-A369 HydrophobicContact CG-CB 4.49Å; L160-F400 HydrophobicContact CD1-CB 4.09Å; L160-F400 HydrophobicContact CD2-CD1 3.91Å; L160-F400 HydrophobicContact CD2-CE1 4.45Å; L160-F400 HydrophobicContact CD2-CG 4.36Å; L160-T402 PolarHBondContact N-O 2.84Å; L160-V404 HydrophobicContact CD1-CG2 3.84Å
161	D	82.3	Confident	79.9	Confident	70 Å²	70	53.5 Å²	53.5	37%	0.374	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-62	130.2	164	-178.9	-24	0	0	0	108.5	L163 K164 Q165	D161-L163 PolarHBondContact O-N 2.76Å; D161-L163 WeakPolarHBondContact OD1-CB 3.44Å; D161-L163 PolarHBondContact OD1-N 3.01Å; D161-K164 HydrophobicContact CB-CB 4.11Å; D161-K164 HydrophobicContact CB-CD 4.37Å; D161-K164 HydrophobicContact CB-CG 4.26Å; D161-K164 CarbonylContact O-C 3.07Å; D161-K164 WeakPolarHBondContact O-CA 3.38Å; D161-K164 PolarHBondContact O-N 2.88Å; D161-Q165 PolarHBondContact O-NE2 2.87Å
162	P	77.9	Confident	82.1	Confident	32 Å²	32	48.8 Å²	48.8	21%	0.208	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-26.7	174.5	-30.6	37.3	0	0	0	114.9	Q165 F259 I405	P162-Q165 WeakPolarHBondContact O-CG 3.39Å; P162-F259 HydrophobicContact CB-CE1 4.1Å; P162-F259 HydrophobicContact CB-CE2 3.64Å; P162-F259 HydrophobicContact CB-CZ 3.22Å; P162-F259 HydrophobicContact CG-CZ 3.85Å; P162-I405 HydrophobicContact CB-CD1 3.76Å; P162-I405 HydrophobicContact CG-CD1 4.24Å
163	L	76.3	Confident	83.8	Confident	71 Å²	71	39.9 Å²	39.9	37%	0.372	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.8	176.3	-61.6	179.3	0	0	0	113.7	D161 F255 F259	D161-L163 PolarHBondContact O-N 2.76Å; D161-L163 WeakPolarHBondContact OD1-CB 3.44Å; D161-L163 PolarHBondContact OD1-N 3.01Å; L163-F255 HydrophobicContact CD2-CE1 3.8Å; L163-F255 HydrophobicContact CD2-CZ 3.74Å; L163-F259 HydrophobicContact CD2-CB 4.2Å; L163-F259 HydrophobicContact CD2-CD1 3.73Å; L163-F259 HydrophobicContact CD2-CD2 4.28Å; L163-F259 HydrophobicContact CD2-CE1 4.24Å; L163-F259 HydrophobicContact CD2-CG 3.78Å; L163-F259 HydrophobicContact CG-CD1 4.19Å; L163-F259 HydrophobicContact CG-CE1 4.32Å
164	K	81.3	Confident	85.1	Confident	71 Å²	71	38.3 Å²	38.3	31%	0.309	20%	0.202	S	C	.	.	S	Bend	trans	-122.9	62.2	-177.6	-59.2	-179.6	-178.4	172.4	0	111.1	D161 L169 G488	D161-K164 HydrophobicContact CB-CB 4.11Å; D161-K164 HydrophobicContact CB-CD 4.37Å; D161-K164 HydrophobicContact CB-CG 4.26Å; D161-K164 CarbonylContact O-C 3.07Å; D161-K164 WeakPolarHBondContact O-CA 3.38Å; D161-K164 PolarHBondContact O-N 2.88Å; K164-L169 HydrophobicContact CB-CD2 4.08Å; K164-L169 HydrophobicContact CB-CG 4.29Å; K164-L169 VanDerWaalsContact O-CD1 3.27Å; K164-L169 WeakPolarHBondContact O-CD1 3.4Å; K164-G488 PolarHBondContact NZ-O 2.8Å
165	Q	88.5	Confident	85.9	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.184	C	C	.	.			trans	-78	166.5	177.2	-67.7	-60.4	-58.2	0	0	112.1	D161 P162 W167 K168 L169 P269	D161-Q165 PolarHBondContact O-NE2 2.87Å; P162-Q165 WeakPolarHBondContact O-CG 3.39Å; Q165-W167 VanDerWaalsContact C-N 3.34Å; Q165-W167 PolarHBondContact O-N 3.17Å; Q165-K168 WeakPolarHBondContact O-CA 3.38Å; Q165-K168 WeakPolarHBondContact O-CB 3.38Å; Q165-K168 PolarHBondContact O-N 2.91Å; Q165-L169 PolarHBondContact O-N 3.48Å; Q165-L169 VanDerWaalsContact O-N 3.08Å; Q165-P269 HydrophobicContact CB-CB 4.12Å; Q165-P269 HydrophobicContact CB-CG 4.28Å; Q165-P269 HydrophobicContact CG-CB 4.37Å; Q165-P269 HydrophobicContact CG-CG 4.25Å
166	P	91.4	Very high	86.5	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-56.2	-41.1	-169.1	-28.9	36.6	0	0	0	114.7	L160 K168 L169 L170 F272 F400 V404 I425	L160-P166 HydrophobicContact CD1-CG 3.82Å; P166-K168 PolarHBondContact O-N 2.72Å; P166-L169 PolarHBondContact O-N 3.27Å; P166-L170 WeakPolarHBondContact O-CB 3.29Å; P166-L170 WeakPolarHBondContact O-CG 3.26Å; P166-L170 PolarHBondContact O-N 2.99Å; P166-F272 HydrophobicContact CB-CE2 4.17Å; P166-F272 HydrophobicContact CB-CZ 4.11Å; P166-F400 HydrophobicContact CB-CB 4.43Å; P166-F400 HydrophobicContact CB-CD2 4.45Å; P166-F400 HydrophobicContact CG-CB 4.06Å; P166-V404 HydrophobicContact CG-CG1 3.84Å; P166-V404 HydrophobicContact CG-CG2 4.04Å; P166-I425 HydrophobicContact CB-CD1 3.8Å; P166-I425 HydrophobicContact CB-CG1 4.2Å; P166-I425 HydrophobicContact CB-CG2 4.17Å; P166-I425 HydrophobicContact CG-CD1 3.58Å; P166-I425 HydrophobicContact CG-CG1 4.36Å
167	W	89.1	Confident	86.6	Confident	16 Å²	16	34.5 Å²	34.5	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-35.8	176.9	67.3	-86.6	0	0	0	112.4	Q165 Q171 A172 E173 W176 Y252 F272	Q165-W167 VanDerWaalsContact C-N 3.34Å; Q165-W167 PolarHBondContact O-N 3.17Å; W167-Q171 PolarHBondContact O-N 2.86Å; W167-A172 HydrophobicContact CB-CB 4.06Å; W167-A172 VanDerWaalsContact O-CB 3.29Å; W167-A172 WeakPolarHBondContact O-CB 3.43Å; W167-A172 PolarHBondContact O-N 2.79Å; W167-E173 HydrophobicContact CE3-CG 4.36Å; W167-E173 VanDerWaalsContact CZ3-CD 3.44Å; W167-E173 HydrophobicContact CZ3-CG 3.93Å; W167-E173 WeakPolarHBondContact CZ3-OE1 3.46Å; W167-W176 HydrophobicContact CB-CH2 4.08Å; W167-W176 HydrophobicContact CB-CZ2 4.5Å; W167-W176 AromaticContact CD2-CH2 3.99Å; W167-W176 HydrophobicContact CD2-CH2 3.99Å; W167-W176 HydrophobicContact CD2-CZ3 4.41Å; W167-W176 AromaticContact CE3-CH2 3.49Å; W167-W176 HydrophobicContact CE3-CH2 3.49Å; W167-W176 VanDerWaalsContact CE3-CH2 3.49Å; W167-W176 AromaticContact CE3-CZ3 3.5Å; W167-W176 HydrophobicContact CE3-CZ3 3.5Å; W167-W176 HydrophobicContact CG-CH2 4.26Å; W167-W176 HydrophobicContact CZ3-CH2 4.17Å; W167-W176 AromaticContact CZ3-CZ3 3.76Å; W167-W176 HydrophobicContact CZ3-CZ3 3.76Å; W167-Y252 HydrophobicContact CH2-CD2 4.06Å; W167-Y252 AromaticContact CH2-CE2 3.66Å; W167-Y252 HydrophobicContact CH2-CE2 3.66Å; W167-Y252 HydrophobicContact CZ2-CE2 4.43Å; W167-F272 HydrophobicContact CB-CD2 4.41Å; W167-F272 HydrophobicContact CB-CE1 4.31Å; W167-F272 HydrophobicContact CB-CE2 4.02Å; W167-F272 HydrophobicContact CB-CZ 3.98Å; W167-F272 VanDerWaalsContact N-CZ 3.34Å
168	K	87.1	Confident	86.6	Confident	71 Å²	71	35.8 Å²	35.8	31%	0.309	18%	0.176	S	C	.	.	H	α-helix	trans	-76	-43.7	178.4	-175.2	58.5	167	179.7	0	111.5	Q165 P166 Q171 E173	Q165-K168 WeakPolarHBondContact O-CA 3.38Å; Q165-K168 WeakPolarHBondContact O-CB 3.38Å; Q165-K168 PolarHBondContact O-N 2.91Å; P166-K168 PolarHBondContact O-N 2.72Å; K168-Q171 PolarHBondContact O-N 2.99Å; K168-Q171 VanDerWaalsContact O-N 3.16Å; K168-E173 WeakPolarHBondContact CD-OE1 3.41Å; K168-E173 WeakPolarHBondContact CE-OE1 3.46Å; K168-E173 IonicContact NZ-OE1 3.87Å; K168-E173 PolarHBondContact NZ-OE1 2.93Å
169	L	90.2	Very high	86.6	Confident	32 Å²	32	35.2 Å²	35.2	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-68.4	-35.1	-179.5	-69.2	177.4	0	0	0	112.4	L160 K164 Q165 P166 Q171 F400	L160-L169 HydrophobicContact CD2-CD1 3.55Å; K164-L169 HydrophobicContact CB-CD2 4.08Å; K164-L169 HydrophobicContact CB-CG 4.29Å; K164-L169 VanDerWaalsContact O-CD1 3.27Å; K164-L169 WeakPolarHBondContact O-CD1 3.4Å; Q165-L169 PolarHBondContact O-N 3.48Å; Q165-L169 VanDerWaalsContact O-N 3.08Å; P166-L169 PolarHBondContact O-N 3.27Å; L169-Q171 VanDerWaalsContact C-N 3.26Å; L169-F400 HydrophobicContact CB-CD2 4.2Å; L169-F400 HydrophobicContact CB-CE2 3.54Å; L169-F400 HydrophobicContact CB-CZ 3.97Å; L169-F400 HydrophobicContact CD1-CD1 4.12Å; L169-F400 HydrophobicContact CD1-CD2 4.08Å; L169-F400 HydrophobicContact CD1-CE1 3.8Å; L169-F400 HydrophobicContact CD1-CE2 3.76Å; L169-F400 HydrophobicContact CD1-CG 4.25Å; L169-F400 HydrophobicContact CD1-CZ 3.62Å; L169-F400 HydrophobicContact CG-CE2 4.3Å; L169-F400 HydrophobicContact CG-CZ 4.37Å
170	L	92.5	Very high	86.8	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.058	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	6	173.5	-58.7	-174	0	0	0	113	P166 A172 F272 F400 I425 V429 V511	P166-L170 WeakPolarHBondContact O-CB 3.29Å; P166-L170 WeakPolarHBondContact O-CG 3.26Å; P166-L170 PolarHBondContact O-N 2.99Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 3.14Å; L170-F272 HydrophobicContact CB-CE1 4Å; L170-F272 HydrophobicContact CB-CZ 4.28Å; L170-F272 HydrophobicContact CD1-CE1 3.95Å; L170-F272 HydrophobicContact CD1-CZ 3.79Å; L170-F272 HydrophobicContact CG-CZ 4.38Å; L170-F400 HydrophobicContact CD2-CD2 4.42Å; L170-F400 HydrophobicContact CD2-CE2 4Å; L170-F400 HydrophobicContact CG-CE2 4.45Å; L170-I425 HydrophobicContact CD1-CG2 3.98Å; L170-V429 HydrophobicContact CD1-CG2 4.06Å; L170-V511 HydrophobicContact CD1-CB 4.41Å; L170-V511 HydrophobicContact CD1-CG1 4.1Å; L170-V511 HydrophobicContact CD2-CB 4.39Å; L170-V511 HydrophobicContact CD2-CG1 4.49Å; L170-V511 VanDerWaalsContact CD2-O 3.31Å; L170-V511 WeakPolarHBondContact CD2-O 3.14Å
171	Q	90.3	Very high	87.1	Confident	81 Å²	81	34.3 Å²	34.3	38%	0.379	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	43.4	175.7	-55.1	177.5	-9.3	0	0	113.5	W167 K168 L169 E173 Y174	W167-Q171 PolarHBondContact O-N 2.86Å; K168-Q171 PolarHBondContact O-N 2.99Å; K168-Q171 VanDerWaalsContact O-N 3.16Å; L169-Q171 VanDerWaalsContact C-N 3.26Å; Q171-E173 PolarHBondContact O-N 3.05Å; Q171-Y174 VanDerWaalsContact O-CB 3.23Å; Q171-Y174 WeakPolarHBondContact O-CB 3.48Å; Q171-Y174 PolarHBondContact O-N 2.81Å
172	A	89.4	Confident	87.7	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.7	-25.6	178.1	0	0	0	0	0	112.6	W167 L170 Y174 A175 W176 F272 L513	W167-A172 HydrophobicContact CB-CB 4.06Å; W167-A172 VanDerWaalsContact O-CB 3.29Å; W167-A172 WeakPolarHBondContact O-CB 3.43Å; W167-A172 PolarHBondContact O-N 2.79Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 3.14Å; A172-Y174 PolarHBondContact O-N 3.05Å; A172-A175 WeakPolarHBondContact O-CB 3.32Å; A172-A175 PolarHBondContact O-N 2.71Å; A172-W176 HydrophobicContact CB-CD2 4.34Å; A172-W176 HydrophobicContact CB-CH2 3.91Å; A172-W176 HydrophobicContact CB-CZ2 3.6Å; A172-W176 HydrophobicContact CB-CZ3 4.39Å; A172-W176 PolarHBondContact O-N 3Å; A172-F272 HydrophobicContact CB-CD1 3.83Å; A172-F272 HydrophobicContact CB-CE1 3.98Å; A172-L513 HydrophobicContact CB-CD2 4.22Å
173	E	86.5	Confident	88.4	Confident	51 Å²	51	33 Å²	33	24%	0.238	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-28	173.9	-56.8	101.4	130.1	0	0	113.3	W167 K168 Q171 W176 S177	W167-E173 HydrophobicContact CE3-CG 4.36Å; W167-E173 VanDerWaalsContact CZ3-CD 3.44Å; W167-E173 HydrophobicContact CZ3-CG 3.93Å; W167-E173 WeakPolarHBondContact CZ3-OE1 3.46Å; K168-E173 WeakPolarHBondContact CD-OE1 3.41Å; K168-E173 WeakPolarHBondContact CE-OE1 3.46Å; K168-E173 IonicContact NZ-OE1 3.87Å; K168-E173 PolarHBondContact NZ-OE1 2.93Å; Q171-E173 PolarHBondContact O-N 3.05Å; E173-W176 HydrophobicContact CB-CE3 4.26Å; E173-W176 HydrophobicContact CG-CE3 3.84Å; E173-W176 HydrophobicContact CG-CZ3 3.89Å; E173-W176 PolarHBondContact O-N 3.08Å; E173-S177 VanDerWaalsContact O-CB 3.27Å; E173-S177 WeakPolarHBondContact O-CB 3.39Å; E173-S177 PolarHBondContact O-N 2.96Å; E173-S177 PolarHBondContact O-OG 2.91Å
174	Y	88.4	Confident	89.1	Confident	49 Å²	49	31.3 Å²	31.3	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-47.2	172.9	179.3	-105.7	0	0	0	111	Q171 A172 S177 R178 Q514 L517 E518	Q171-Y174 VanDerWaalsContact O-CB 3.23Å; Q171-Y174 WeakPolarHBondContact O-CB 3.48Å; Q171-Y174 PolarHBondContact O-N 2.81Å; A172-Y174 PolarHBondContact O-N 3.05Å; Y174-S177 PolarHBondContact O-OG 2.92Å; Y174-R178 VanDerWaalsContact OH-CZ 3.28Å; Y174-R178 PolarHBondContact OH-NH2 2.77Å; Y174-Q514 HydrophobicContact CD1-CB 4.25Å; Y174-Q514 HydrophobicContact CD1-CG 4.01Å; Y174-Q514 HydrophobicContact CE1-CB 4.33Å; Y174-Q514 HydrophobicContact CE1-CG 3.67Å; Y174-L517 HydrophobicContact CD1-CD1 3.97Å; Y174-L517 HydrophobicContact CE1-CD1 4.29Å; Y174-E518 PolarHBondContact OH-OE1 2.85Å
175	A	90.6	Very high	89.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-47.1	176.1	0	0	0	0	0	111.2	A172 S177 R178 G179 L180 L432 L517	A172-A175 WeakPolarHBondContact O-CB 3.32Å; A172-A175 PolarHBondContact O-N 2.71Å; A175-S177 VanDerWaalsContact C-N 3.31Å; A175-S177 PolarHBondContact O-N 3.45Å; A175-R178 WeakPolarHBondContact O-CA 3.48Å; A175-R178 WeakPolarHBondContact O-CB 3.41Å; A175-R178 PolarHBondContact O-N 3.11Å; A175-G179 PolarHBondContact O-N 2.02Å; A175-L180 HydrophobicContact CB-CB 4.21Å; A175-L180 WeakPolarHBondContact O-CB 3.31Å; A175-L180 PolarHBondContact O-N 3.37Å; A175-L180 VanDerWaalsContact O-N 3.13Å; A175-L432 HydrophobicContact CB-CD1 3.91Å; A175-L432 HydrophobicContact CB-CD2 4.36Å; A175-L517 HydrophobicContact CB-CD1 3.79Å
176	W	89.7	Confident	90.4	Very high	9 Å²	9	31.1 Å²	31.1	3%	0.034	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-34.7	-177.9	-57.3	-25.3	0	0	0	113	W167 A172 E173 R178 G179 W270 F272 C1078 H1079	W167-W176 HydrophobicContact CB-CH2 4.08Å; W167-W176 HydrophobicContact CB-CZ2 4.5Å; W167-W176 AromaticContact CD2-CH2 3.99Å; W167-W176 HydrophobicContact CD2-CH2 3.99Å; W167-W176 HydrophobicContact CD2-CZ3 4.41Å; W167-W176 AromaticContact CE3-CH2 3.49Å; W167-W176 HydrophobicContact CE3-CH2 3.49Å; W167-W176 VanDerWaalsContact CE3-CH2 3.49Å; W167-W176 AromaticContact CE3-CZ3 3.5Å; W167-W176 HydrophobicContact CE3-CZ3 3.5Å; W167-W176 HydrophobicContact CG-CH2 4.26Å; W167-W176 HydrophobicContact CZ3-CH2 4.17Å; W167-W176 AromaticContact CZ3-CZ3 3.76Å; W167-W176 HydrophobicContact CZ3-CZ3 3.76Å; A172-W176 HydrophobicContact CB-CD2 4.34Å; A172-W176 HydrophobicContact CB-CH2 3.91Å; A172-W176 HydrophobicContact CB-CZ2 3.6Å; A172-W176 HydrophobicContact CB-CZ3 4.39Å; A172-W176 PolarHBondContact O-N 3Å; E173-W176 HydrophobicContact CB-CE3 4.26Å; E173-W176 HydrophobicContact CG-CE3 3.84Å; E173-W176 HydrophobicContact CG-CZ3 3.89Å; E173-W176 PolarHBondContact O-N 3.08Å; W176-R178 PolarHBondContact O-N 2.88Å; W176-G179 PolarHBondContact O-N 3.22Å; W176-W270 HydrophobicContact CE3-CE3 4.11Å; W176-W270 HydrophobicContact CE3-CZ3 4.28Å; W176-W270 HydrophobicContact CH2-CB 4.17Å; W176-W270 AromaticContact CH2-CE3 3.87Å; W176-W270 HydrophobicContact CH2-CE3 3.87Å; W176-W270 AromaticContact CZ3-CE3 3.53Å; W176-W270 HydrophobicContact CZ3-CE3 3.53Å; W176-W270 HydrophobicContact CZ3-CZ3 4.01Å; W176-F272 PolarHBondContact NE1-O 2.79Å; W176-C1078 VanDerWaalsContact CA-SG 3.58Å; W176-C1078 HydrophobicContact CB-CB 4.25Å; W176-C1078 HydrophobicContact CG-CB 4.3Å; W176-H1079 AromaticContact CD2-NE2 3.53Å; W176-H1079 AromaticContact CE3-NE2 3.52Å; W176-H1079 AromaticContact CG-NE2 3.94Å
177	S	85.1	Confident	90.8	Very high	47 Å²	47	31 Å²	31	33%	0.329	16%	0.161	S	C	.	.	H	α-helix	trans	-61.9	-24.9	174.9	75.8	0	0	0	0	112.6	E173 Y174 A175 Y1073	E173-S177 VanDerWaalsContact O-CB 3.27Å; E173-S177 WeakPolarHBondContact O-CB 3.39Å; E173-S177 PolarHBondContact O-N 2.96Å; E173-S177 PolarHBondContact O-OG 2.91Å; Y174-S177 PolarHBondContact O-OG 2.92Å; A175-S177 VanDerWaalsContact C-N 3.31Å; A175-S177 PolarHBondContact O-N 3.45Å; S177-Y1073 VanDerWaalsContact O-CD1 3.29Å; S177-Y1073 WeakPolarHBondContact O-CD1 3.49Å
178	R	83.7	Confident	91.2	Very high	70 Å²	70	30.2 Å²	30.2	26%	0.264	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.3	175.2	-62.1	-175.2	176.9	-162.1	-2.6	113.7	Y174 A175 W176 L180 Y1073	Y174-R178 VanDerWaalsContact OH-CZ 3.28Å; Y174-R178 PolarHBondContact OH-NH2 2.77Å; A175-R178 WeakPolarHBondContact O-CA 3.48Å; A175-R178 WeakPolarHBondContact O-CB 3.41Å; A175-R178 PolarHBondContact O-N 3.11Å; W176-R178 PolarHBondContact O-N 2.88Å; R178-L180 HydrophobicContact CB-CD1 4.47Å; R178-L180 HydrophobicContact CB-CG 4.34Å; R178-L180 PolarHBondContact O-N 3.36Å; R178-Y1073 HydrophobicContact CB-CE1 4.03Å; R178-Y1073 HydrophobicContact CG-CE1 3.94Å
179	G	85.8	Confident	91.7	Very high	29 Å²	29	26.9 Å²	26.9	30%	0.299	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	15.7	-178.3	0	0	0	0	0	114.2	A175 W176 C181	A175-G179 PolarHBondContact O-N 2.02Å; W176-G179 PolarHBondContact O-N 3.22Å; G179-C181 PolarHBondContact O-N 3.2Å
180	L	90.8	Very high	91.8	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	14%	0.136	C	C	.	.			trans	-84.7	103.5	173.7	-58.8	173.8	0	0	0	108.3	A175 R178 L432 N435 A436 L517	A175-L180 HydrophobicContact CB-CB 4.21Å; A175-L180 WeakPolarHBondContact O-CB 3.31Å; A175-L180 PolarHBondContact O-N 3.37Å; A175-L180 VanDerWaalsContact O-N 3.13Å; R178-L180 HydrophobicContact CB-CD1 4.47Å; R178-L180 HydrophobicContact CB-CG 4.34Å; R178-L180 PolarHBondContact O-N 3.36Å; L180-L432 HydrophobicContact CB-CD2 4.43Å; L180-L432 WeakPolarHBondContact O-CD2 3.26Å; L180-N435 WeakPolarHBondContact CA-OD1 3.34Å; L180-A436 HydrophobicContact CD1-CB 3.75Å; L180-A436 HydrophobicContact CD2-CB 4.06Å; L180-L517 HydrophobicContact CD1-CD2 3.73Å
181	C	91.7	Very high	91.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-124.6	6.1	-175.2	-38.7	0	0	0	0	112.6	G179 A273 P274 R275 N435 C1078	G179-C181 PolarHBondContact O-N 3.2Å; C181-A273 CarbonylContact O-C 3.53Å; C181-A273 WeakPolarHBondContact O-CA 3.37Å; C181-P274 HydrophobicContact CB-CG 4.42Å; C181-P274 WeakPolarHBondContact O-CD 3.41Å; C181-R275 HydrophobicContact CB-CB 3.92Å; C181-R275 HydrophobicContact CB-CG 3.91Å; C181-R275 WeakPolarHBondContact O-CA 3.48Å; C181-R275 PolarHBondContact O-N 3.3Å; C181-N435 PolarHBondContact N-OD1 2.99Å; C181-N435 VanDerWaalsContact N-OD1 3.12Å; C181-C1078 HydrophobicContact CB-CB 3.74Å; C181-C1078 WeakPolarHBondContact CB-SG 3.36Å; C181-C1078 WeakPolarHBondContact SG-CA 3.47Å; C181-C1078 WeakPolarHBondContact SG-CB 3.34Å; C181-C1078 CovalentContact SG-SG 2.02Å; C181-C1078 PolarHBondContact SG-SG 3.15Å
182	G	94.6	Very high	91.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.			trans	93.9	2.9	-174.1	0	0	0	0	0	114.8	G184 V185 R275 A276 N435	G182-G184 PolarHBondContact O-N 2.83Å; G182-V185 VanDerWaalsContact O-CB 3.29Å; G182-V185 WeakPolarHBondContact O-CB 3.43Å; G182-V185 WeakPolarHBondContact O-CG2 3.33Å; G182-V185 PolarHBondContact O-N 2.93Å; G182-R275 CarbonylContact C-O 3.59Å; G182-A276 VanDerWaalsContact O-CA 3.3Å; G182-A276 WeakPolarHBondContact O-CA 3.4Å; G182-N435 PolarHBondContact N-OD1 2.84Å
183	N	93.2	Very high	91.7	Very high	73 Å²	73	21.1 Å²	21.1	39%	0.39	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	129.2	-176.3	-72.2	92.6	0	0	0	112.8	V185 R275 N435	N183-V185 PolarHBondContact O-N 3.45Å; N183-R275 WeakPolarHBondContact CA-O 3.49Å; N183-R275 WeakPolarHBondContact OD1-CB 3.37Å; N183-R275 WeakPolarHBondContact OD1-CD 3.44Å; N183-N435 PolarHBondContact N-OD1 2.93Å; N183-N435 PolarHBondContact O-ND2 3.38Å
184	G	91.8	Very high	92	Very high	36 Å²	36	18.7 Å²	18.7	37%	0.371	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-2.1	179.9	0	0	0	0	0	114.6	G182 R186 H308	G182-G184 PolarHBondContact O-N 2.83Å; G184-R186 PolarHBondContact O-N 3.37Å; G184-H308 PolarHBondContact O-CE1 3.33Å
185	V	98.4	Very high	92.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.095	C	C	.	.			trans	-87.7	107.6	175	-173.1	0	0	0	0	109.4	G182 N183 V187 D277 H308 S431 I434 N435 L438	G182-V185 VanDerWaalsContact O-CB 3.29Å; G182-V185 WeakPolarHBondContact O-CB 3.43Å; G182-V185 WeakPolarHBondContact O-CG2 3.33Å; G182-V185 PolarHBondContact O-N 2.93Å; N183-V185 PolarHBondContact O-N 3.45Å; V185-V187 HydrophobicContact CG1-CG2 4.12Å; V185-V187 PolarHBondContact O-N 3.1Å; V185-D277 PolarHBondContact O-N 3.47Å; V185-H308 HydrophobicContact CG1-CB 4.34Å; V185-S431 WeakPolarHBondContact CG2-O 3.24Å; V185-I434 HydrophobicContact CB-CG2 4.47Å; V185-I434 HydrophobicContact CG1-CB 4.09Å; V185-I434 HydrophobicContact CG1-CD1 4.22Å; V185-I434 HydrophobicContact CG1-CG2 3.93Å; V185-I434 HydrophobicContact CG2-CB 4.04Å; V185-I434 HydrophobicContact CG2-CG2 3.78Å; V185-N435 HydrophobicContact CG2-CB 3.78Å; V185-L438 HydrophobicContact CG2-CD1 4.41Å
186	R	98.6	Very high	92.1	Very high	70 Å²	70	18.8 Å²	18.8	26%	0.264	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	113.5	171.4	-60	-174.5	-68.2	-73	-6.8	111.7	G184 D277 F279 R305 K306 L307 H308 V309	G184-R186 PolarHBondContact O-N 3.37Å; R186-D277 CarbonylContact C-O 3.53Å; R186-D277 WeakPolarHBondContact CA-O 3.49Å; R186-D277 HydrophobicContact CG-CB 4.14Å; R186-F279 HydrophobicContact CB-CD2 4.3Å; R186-F279 HydrophobicContact CB-CE2 3.81Å; R186-F279 HydrophobicContact CG-CE2 3.78Å; R186-F279 HydrophobicContact CG-CZ 4.38Å; R186-R305 WeakPolarHBondContact CD-O 3.3Å; R186-R305 PolarHBondContact NE-O 3.5Å; R186-R305 VanDerWaalsContact NE-O 3.16Å; R186-K306 PolarHBondContact NE-O 3.24Å; R186-K306 PolarHBondContact NH2-O 3.11Å; R186-L307 HydrophobicContact CB-CD2 3.91Å; R186-H308 PolarHBondContact N-ND1 3.12Å; R186-H308 PolarHBondContact NH1-CE1 3.41Å; R186-H308 PolarHBondContact NH2-CE1 3.5Å; R186-H308 VanDerWaalsContact NH2-CE1 3.3Å; R186-H308 PolarHBondContact NH2-NE2 2.79Å; R186-H308 PolarHBondContact O-N 3.21Å; R186-V309 PolarHBondContact O-N 2.67Å
187	V	98.7	Very high	91.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.4	-177.8	-178.2	0	0	0	0	109.6	V185 I189 I243 A276 D277 L278 F279 V309 T427 S431	V185-V187 HydrophobicContact CG1-CG2 4.12Å; V185-V187 PolarHBondContact O-N 3.1Å; V187-I189 HydrophobicContact CB-CD1 4.47Å; V187-I189 HydrophobicContact CG1-CD1 3.9Å; V187-I189 HydrophobicContact CG1-CG1 4.35Å; V187-I243 HydrophobicContact CG1-CG2 4.36Å; V187-A276 HydrophobicContact CG2-CB 3.85Å; V187-D277 PolarHBondContact N-O 3.49Å; V187-L278 HydrophobicContact CB-CD2 4.32Å; V187-F279 PolarHBondContact O-N 2.81Å; V187-V309 WeakPolarHBondContact CA-O 3.42Å; V187-V309 HydrophobicContact CB-CG1 4.25Å; V187-V309 HydrophobicContact CG1-CG1 4.14Å; V187-V309 HydrophobicContact CG2-CG1 3.78Å; V187-T427 HydrophobicContact CG1-CG2 3.8Å; V187-S431 VanDerWaalsContact CG2-OG 3.28Å; V187-S431 WeakPolarHBondContact CG2-OG 3.46Å
188	G	98.2	Very high	91.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.7	171.2	0	0	0	0	0	111.6	F279 V309 I310 N311	G188-F279 WeakPolarHBondContact CA-O 3.37Å; G188-V309 PolarHBondContact N-O 2.91Å; G188-I310 CarbonylContact O-C 3.56Å; G188-I310 WeakPolarHBondContact O-CA 3.44Å; G188-N311 PolarHBondContact O-N 2.74Å
189	I	97	Very high	91.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.2	173.9	-58.7	92.7	0	0	0	108.4	V187 D191 V239 I243 L278 F279 I280 F281	V187-I189 HydrophobicContact CB-CD1 4.47Å; V187-I189 HydrophobicContact CG1-CD1 3.9Å; V187-I189 HydrophobicContact CG1-CG1 4.35Å; I189-D191 HydrophobicContact CG2-CB 4.37Å; I189-V239 HydrophobicContact CG2-CG1 4.05Å; I189-I243 HydrophobicContact CG1-CD1 3.93Å; I189-L278 HydrophobicContact CD1-CB 4.32Å; I189-L278 HydrophobicContact CD1-CD2 4.06Å; I189-F279 PolarHBondContact N-O 3.03Å; I189-I280 HydrophobicContact CB-CD1 4.26Å; I189-I280 HydrophobicContact CD1-CD1 3.9Å; I189-F281 PolarHBondContact O-N 3.44Å
190	F	94	Very high	91.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	104.1	-179.2	-77.1	-121.6	0	0	0	108.8	F281 V283 F295 A298 F299 A302 I310 N311 L312 I314	F190-F281 WeakPolarHBondContact CA-O 3.4Å; F190-F281 HydrophobicContact CD1-CB 4.04Å; F190-F281 HydrophobicContact CD1-CG 4.45Å; F190-F281 HydrophobicContact CD2-CB 3.85Å; F190-F281 AromaticContact CD2-CD2 3.75Å; F190-F281 HydrophobicContact CD2-CD2 3.75Å; F190-F281 AromaticContact CD2-CG 3.9Å; F190-F281 HydrophobicContact CD2-CG 3.9Å; F190-F281 HydrophobicContact CE1-CB 4.19Å; F190-F281 HydrophobicContact CE1-CD1 4.21Å; F190-F281 HydrophobicContact CE1-CG 4.16Å; F190-F281 HydrophobicContact CE2-CB 3.99Å; F190-F281 HydrophobicContact CE2-CD1 4.06Å; F190-F281 AromaticContact CE2-CD2 3.33Å; F190-F281 HydrophobicContact CE2-CD2 3.33Å; F190-F281 HydrophobicContact CE2-CE1 4.37Å; F190-F281 AromaticContact CE2-CE2 3.72Å; F190-F281 HydrophobicContact CE2-CE2 3.72Å; F190-F281 AromaticContact CE2-CG 3.53Å; F190-F281 HydrophobicContact CE2-CG 3.53Å; F190-F281 HydrophobicContact CE2-CZ 4.23Å; F190-F281 HydrophobicContact CG-CB 3.87Å; F190-F281 HydrophobicContact CG-CG 4.33Å; F190-F281 HydrophobicContact CZ-CB 4.14Å; F190-F281 AromaticContact CZ-CD1 3.74Å; F190-F281 HydrophobicContact CZ-CD1 3.74Å; F190-F281 AromaticContact CZ-CD2 3.9Å; F190-F281 HydrophobicContact CZ-CD2 3.9Å; F190-F281 HydrophobicContact CZ-CE1 4.04Å; F190-F281 HydrophobicContact CZ-CE2 4.2Å; F190-F281 AromaticContact CZ-CG 3.67Å; F190-F281 HydrophobicContact CZ-CG 3.67Å; F190-F281 HydrophobicContact CZ-CZ 4.27Å; F190-V283 HydrophobicContact CB-CG2 4.18Å; F190-V283 HydrophobicContact CD1-CG1 4.01Å; F190-V283 HydrophobicContact CD1-CG2 4.4Å; F190-F295 HydrophobicContact CD1-CD1 4.07Å; F190-F295 HydrophobicContact CD1-CE1 4.31Å; F190-A298 HydrophobicContact CD1-CB 4.22Å; F190-A298 HydrophobicContact CE1-CB 3.36Å; F190-A298 HydrophobicContact CZ-CB 3.95Å; F190-F299 HydrophobicContact CD1-CD1 4.19Å; F190-F299 AromaticContact CD1-CE1 3.76Å; F190-F299 HydrophobicContact CD1-CE1 3.76Å; F190-F299 AromaticContact CE1-CD1 3.32Å; F190-F299 HydrophobicContact CE1-CD1 3.32Å; F190-F299 AromaticContact CE1-CE1 3.36Å; F190-F299 HydrophobicContact CE1-CE1 3.36Å; F190-F299 HydrophobicContact CE1-CG 4.38Å; F190-F299 HydrophobicContact CE1-CZ 4.45Å; F190-F299 HydrophobicContact CE2-CD1 4.48Å; F190-F299 HydrophobicContact CE2-CE1 4.48Å; F190-F299 HydrophobicContact CG-CE1 4.46Å; F190-F299 AromaticContact CZ-CD1 3.53Å; F190-F299 HydrophobicContact CZ-CD1 3.53Å; F190-F299 AromaticContact CZ-CE1 3.81Å; F190-F299 HydrophobicContact CZ-CE1 3.81Å; F190-A302 HydrophobicContact CZ-CB 4.25Å; F190-I310 HydrophobicContact CD2-CG2 3.54Å; F190-I310 HydrophobicContact CE2-CD1 4.04Å; F190-I310 HydrophobicContact CE2-CG1 4.12Å; F190-I310 HydrophobicContact CE2-CG2 3.76Å; F190-I310 HydrophobicContact CG-CG2 4.27Å; F190-I310 HydrophobicContact CZ-CD1 4.32Å; F190-N311 PolarHBondContact N-O 3.07Å; F190-L312 HydrophobicContact CB-CD1 3.89Å; F190-I314 VanDerWaalsContact O-CD1 3.28Å; F190-I314 WeakPolarHBondContact O-CD1 3.03Å
191	D	91.3	Very high	91.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	-153.4	-173.5	-145.1	-70.3	0	0	0	111.8	I189 G193 H235 G236 F281 R282 V283 F284	I189-D191 HydrophobicContact CG2-CB 4.37Å; D191-G193 PolarHBondContact O-N 3.42Å; D191-H235 IonicContact OD1-CE1 2.7Å; D191-H235 IonicContact OD1-CG 2.77Å; D191-H235 IonicContact OD1-ND1 3.15Å; D191-H235 PolarHBondContact OD1-ND1 2.89Å; D191-H235 IonicContact OD2-CE1 3.5Å; D191-H235 PolarHBondContact OD2-CE1 3.1Å; D191-H235 IonicContact OD2-ND1 3.39Å; D191-H235 PolarHBondContact OD2-ND1 3.24Å; D191-G236 WeakPolarHBondContact OD1-CA 3.31Å; D191-G236 PolarHBondContact OD1-N 3.03Å; D191-G236 VanDerWaalsContact OD1-N 3.12Å; D191-F281 PolarHBondContact N-O 3.19Å; D191-R282 WeakPolarHBondContact O-CA 3.48Å; D191-V283 PolarHBondContact O-N 2.99Å; D191-F284 PolarHBondContact O-N 3.22Å
192	T	87.9	Confident	91	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-78.1	3.5	177.9	60	0	0	0	0	114.5	D231 H233 G236 F284	T192-D231 WeakPolarHBondContact CB-OD1 3.24Å; T192-D231 WeakPolarHBondContact O-CA 3.3Å; T192-D231 PolarHBondContact OG1-OD1 2.81Å; T192-H233 HydrophobicContact CG2-CB 3.8Å; T192-G236 PolarHBondContact OG1-N 3.49Å; T192-F284 HydrophobicContact CG2-CB 3.89Å
193	G	90.4	Very high	90.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	18%	0.177	C	C	.	.			trans	111.4	-162.4	-178.6	0	0	0	0	0	113.4	D191 A229 G236	D191-G193 PolarHBondContact O-N 3.42Å; G193-A229 CarbonylContact C-O 3.51Å; G193-A229 WeakPolarHBondContact CA-O 3.47Å; G193-G236 CarbonylContact O-C 3.52Å; G193-G236 VanDerWaalsContact O-CA 3.32Å; G193-G236 WeakPolarHBondContact O-CA 3.18Å
194	L	93	Very high	90	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-134	142.4	174.1	-178.9	61.8	0	0	0	111.3	F202 I207 R210 A229 L230 D231 T240 I280	L194-F202 HydrophobicContact CD1-CD1 4.46Å; L194-F202 HydrophobicContact CD1-CD2 3.91Å; L194-F202 HydrophobicContact CD1-CE1 4.26Å; L194-F202 HydrophobicContact CD1-CE2 3.71Å; L194-F202 HydrophobicContact CD1-CG 4.29Å; L194-F202 HydrophobicContact CD1-CZ 3.87Å; L194-I207 HydrophobicContact CD2-CD1 3.64Å; L194-I207 HydrophobicContact CD2-CG1 4.06Å; L194-R210 PolarHBondContact O-NH1 3.39Å; L194-A229 PolarHBondContact N-O 3.44Å; L194-L230 WeakPolarHBondContact O-CA 3.26Å; L194-D231 PolarHBondContact O-N 3.49Å; L194-T240 HydrophobicContact CD1-CG2 3.77Å; L194-T240 HydrophobicContact CD2-CG2 4.29Å; L194-I280 HydrophobicContact CB-CD1 4.25Å; L194-I280 HydrophobicContact CB-CG1 4.02Å; L194-I280 HydrophobicContact CB-CG2 3.84Å; L194-I280 HydrophobicContact CD2-CD1 3.89Å; L194-I280 HydrophobicContact CD2-CG1 3.86Å
195	A	91.2	Very high	89.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.			trans	-47.4	156.8	170.8	0	0	0	0	0	112.8	H199 R210 T237 L409	A195-H199 HydrophobicContact CB-CB 4Å; A195-R210 PolarHBondContact O-NH1 2.89Å; A195-R210 PolarHBondContact O-NH2 3.08Å; A195-T237 HydrophobicContact CB-CG2 3.73Å; A195-T237 PolarHBondContact N-OG1 2.61Å; A195-L409 HydrophobicContact CB-CD2 4.23Å
196	P	88.1	Confident	89.6	Confident	51 Å²	51	34.2 Å²	34.2	33%	0.331	18%	0.183	S	C	.	.			trans	-53.7	157.2	-179	-27.4	35.7	0	0	0	114.1	D198 H199 L230	P196-D198 VanDerWaalsContact CB-OD1 3.27Å; P196-D198 WeakPolarHBondContact CB-OD1 3.34Å; P196-D198 PolarHBondContact O-N 3.33Å; P196-H199 WeakPolarHBondContact O-CB 3.46Å; P196-H199 PolarHBondContact O-N 3.22Å; P196-L230 HydrophobicContact CB-CD2 4.21Å; P196-L230 HydrophobicContact CG-CD2 3.89Å
197	S	80.1	Confident	89.3	Confident	62 Å²	62	32.8 Å²	32.8	43%	0.434	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20	-172.5	-58.8	0	0	0	0	114.5	H199 R210	S197-H199 VanDerWaalsContact C-N 3.26Å; S197-R210 PolarHBondContact OG-NH2 2.9Å
198	D	81.4	Confident	89	Confident	136 Å²	136	36.2 Å²	36.2	73%	0.727	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.5	173	68.5	-29.3	0	0	0	113.1	P196 K200	P196-D198 VanDerWaalsContact CB-OD1 3.27Å; P196-D198 WeakPolarHBondContact CB-OD1 3.34Å; P196-D198 PolarHBondContact O-N 3.33Å; D198-K200 PolarHBondContact O-N 2.82Å
199	H	86.7	Confident	88.6	Confident	13 Å²	13	38.3 Å²	38.3	6%	0.06	21%	0.207	C	C	.	.			trans	-57	122.1	174.7	-170.8	-80	0	0	0	110.6	A195 P196 S197 H201 F202 S203 N408 G411	A195-H199 HydrophobicContact CB-CB 4Å; P196-H199 WeakPolarHBondContact O-CB 3.46Å; P196-H199 PolarHBondContact O-N 3.22Å; S197-H199 VanDerWaalsContact C-N 3.26Å; H199-H201 AromaticContact CE1-CG 3.66Å; H199-H201 AromaticContact CE1-ND1 3.6Å; H199-H201 AromaticContact ND1-CG 3.98Å; H199-H201 PolarHBondContact ND1-N 2.84Å; H199-H201 PolarHBondContact O-N 3.07Å; H199-F202 HydrophobicContact CB-CD2 4.28Å; H199-F202 AromaticContact ND1-CD2 3.52Å; H199-F202 AromaticContact ND1-CE2 3.86Å; H199-F202 PolarHBondContact O-N 2.98Å; H199-S203 PolarHBondContact O-N 2.67Å; H199-N408 PolarHBondContact CE1-O 3.12Å; H199-N408 PolarHBondContact NE2-O 3.46Å; H199-G411 VanDerWaalsContact NE2-CA 3.32Å; H199-G411 WeakPolarHBondContact NE2-CA 3.17Å; H199-G411 PolarHBondContact NE2-N 3.2Å
200	K	82.4	Confident	88.3	Confident	149 Å²	149	40 Å²	40	65%	0.648	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-38.5	-169.2	-66.4	175.2	-176.4	168.8	0	113.6	D198 F202 S203	D198-K200 PolarHBondContact O-N 2.82Å; K200-F202 VanDerWaalsContact C-N 3.3Å; K200-F202 PolarHBondContact O-N 3.23Å; K200-S203 PolarHBondContact O-OG 2.67Å
201	H	86.1	Confident	88	Confident	13 Å²	13	40.2 Å²	40.2	6%	0.06	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.2	-179.3	-57.3	170.7	0	0	0	114.7	H199 A245 Q246 C267 S407 G411 K412	H199-H201 AromaticContact CE1-CG 3.66Å; H199-H201 AromaticContact CE1-ND1 3.6Å; H199-H201 AromaticContact ND1-CG 3.98Å; H199-H201 PolarHBondContact ND1-N 2.84Å; H199-H201 PolarHBondContact O-N 3.07Å; H201-A245 HydrophobicContact CB-CB 4.27Å; H201-A245 CarbonylContact O-C 3.47Å; H201-A245 WeakPolarHBondContact O-CA 3.37Å; H201-Q246 CarbonylContact C-O 3.49Å; H201-Q246 PolarHBondContact O-N 2.9Å; H201-Q246 VanDerWaalsContact O-O 3.05Å; H201-C267 PolarHBondContact CE1-SG 3.3Å; H201-S407 WeakPolarHBondContact ND1-CB 3.44Å; H201-S407 PolarHBondContact ND1-OG 3.15Å; H201-G411 PolarHBondContact NE2-O 2.97Å; H201-K412 PolarHBondContact CE1-O 2.74Å
202	F	88.7	Confident	87.8	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	0.3	-177.8	-55.8	-68.8	0	0	0	113.1	L194 H199 K200 L204 S205 I207 T237 T240 A245	L194-F202 HydrophobicContact CD1-CD1 4.46Å; L194-F202 HydrophobicContact CD1-CD2 3.91Å; L194-F202 HydrophobicContact CD1-CE1 4.26Å; L194-F202 HydrophobicContact CD1-CE2 3.71Å; L194-F202 HydrophobicContact CD1-CG 4.29Å; L194-F202 HydrophobicContact CD1-CZ 3.87Å; H199-F202 HydrophobicContact CB-CD2 4.28Å; H199-F202 AromaticContact ND1-CD2 3.52Å; H199-F202 AromaticContact ND1-CE2 3.86Å; H199-F202 PolarHBondContact O-N 2.98Å; K200-F202 VanDerWaalsContact C-N 3.3Å; K200-F202 PolarHBondContact O-N 3.23Å; F202-L204 PolarHBondContact O-N 3.1Å; F202-S205 WeakPolarHBondContact CA-OG 3.25Å; F202-S205 PolarHBondContact O-N 3.03Å; F202-I207 HydrophobicContact CB-CD1 4.28Å; F202-T237 HydrophobicContact CE2-CG2 3.78Å; F202-T237 HydrophobicContact CZ-CG2 4.4Å; F202-T240 HydrophobicContact CD1-CG2 4.34Å; F202-T240 HydrophobicContact CE1-CG2 3.75Å; F202-T240 HydrophobicContact CZ-CG2 4.26Å; F202-A245 HydrophobicContact CE1-CB 4.35Å
203	S	84.1	Confident	87.5	Confident	57 Å²	57	42 Å²	42	40%	0.399	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.9	178.6	61.1	0	0	0	0	114.8	H199 K200	H199-S203 PolarHBondContact O-N 2.67Å; K200-S203 PolarHBondContact O-OG 2.67Å
204	L	83.1	Confident	87	Confident	78 Å²	78	42.9 Å²	42.9	41%	0.408	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-2.9	176.9	-63.4	-175.4	0	0	0	113.8	F202 Q246 P248	F202-L204 PolarHBondContact O-N 3.1Å; L204-Q246 HydrophobicContact CB-CB 4.18Å; L204-Q246 VanDerWaalsContact CB-CD 3.41Å; L204-Q246 HydrophobicContact CB-CG 3.86Å; L204-Q246 HydrophobicContact CD1-CG 4.12Å; L204-Q246 VanDerWaalsContact CD1-NE2 3.28Å; L204-P248 HydrophobicContact CD1-CB 3.79Å; L204-P248 HydrophobicContact CD1-CG 4.4Å
205	S	88.5	Confident	85.9	Confident	14 Å²	14	45.4 Å²	45.4	10%	0.098	24%	0.243	C	C	.	.	S	Bend	trans	-75.8	146.1	-179.8	-54.5	0	0	0	0	110.2	F202 I207 A244	F202-S205 WeakPolarHBondContact CA-OG 3.25Å; F202-S205 PolarHBondContact O-N 3.03Å; S205-I207 PolarHBondContact O-N 2.76Å; S205-A244 PolarHBondContact OG-O 3.44Å
206	N	91.6	Very high	84.3	Confident	71 Å²	71	50.3 Å²	50.3	38%	0.38	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	78.9	-177.4	-165.8	22.4	0	0	0	111.7	I208 D277 L278	N206-I208 WeakPolarHBondContact ND2-CD1 3.48Å; N206-I208 PolarHBondContact O-N 3.03Å; N206-I208 WeakPolarHBondContact OD1-CD1 3.31Å; N206-D277 PolarHBondContact ND2-OD1 2.81Å; N206-L278 PolarHBondContact O-N 2.55Å
207	I	92.2	Very high	82.8	Confident	40 Å²	40	50.6 Å²	50.6	21%	0.205	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	105.7	176.5	-55.9	162.2	0	0	0	108.7	L194 F202 S205 R210 L278 I280	L194-I207 HydrophobicContact CD2-CD1 3.64Å; L194-I207 HydrophobicContact CD2-CG1 4.06Å; F202-I207 HydrophobicContact CB-CD1 4.28Å; S205-I207 PolarHBondContact O-N 2.76Å; I207-R210 HydrophobicContact CG2-CG 3.92Å; I207-L278 HydrophobicContact CG1-CD1 4.31Å; I207-I280 HydrophobicContact CG2-CG1 4.39Å
208	I	92.7	Very high	81.4	Confident	72 Å²	72	53.2 Å²	53.2	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-50.4	-176.7	-57.7	-57.8	0	0	0	111	N206 D277 L278 F279	N206-I208 WeakPolarHBondContact ND2-CD1 3.48Å; N206-I208 PolarHBondContact O-N 3.03Å; N206-I208 WeakPolarHBondContact OD1-CD1 3.31Å; I208-D277 HydrophobicContact CD1-CB 4.24Å; I208-D277 HydrophobicContact CG1-CB 3.7Å; I208-L278 PolarHBondContact N-O 2.82Å; I208-F279 HydrophobicContact CB-CD2 4.44Å; I208-F279 HydrophobicContact CB-CE1 4.17Å; I208-F279 HydrophobicContact CB-CE2 3.98Å; I208-F279 HydrophobicContact CB-CZ 3.84Å; I208-F279 HydrophobicContact CG1-CE2 4.03Å; I208-F279 HydrophobicContact CG1-CZ 4.23Å; I208-F279 HydrophobicContact CG2-CE1 3.76Å; I208-F279 HydrophobicContact CG2-CE2 4.16Å; I208-F279 HydrophobicContact CG2-CZ 3.51Å
209	E	90.3	Very high	79.8	Confident	43 Å²	43	54 Å²	54	20%	0.201	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.5	-177.2	-77.2	177.9	168.1	0	0	110.7	F279 I280 Y301 R305	E209-F279 HydrophobicContact CB-CD1 3.91Å; E209-F279 HydrophobicContact CB-CE1 4.27Å; E209-F279 HydrophobicContact CG-CD1 4.43Å; E209-F279 HydrophobicContact CG-CE1 4.31Å; E209-I280 PolarHBondContact O-N 3.32Å; E209-Y301 WeakPolarHBondContact OE2-CE1 3.3Å; E209-Y301 PolarHBondContact OE2-OH 2.9Å; E209-Y301 VanDerWaalsContact OE2-OH 3.11Å; E209-R305 IonicContact OE1-CZ 3.37Å; E209-R305 IonicContact OE1-NE 2.71Å; E209-R305 PolarHBondContact OE1-NE 2.69Å; E209-R305 VanDerWaalsContact OE1-NE 3.11Å; E209-R305 IonicContact OE1-NH2 3.91Å; E209-R305 PolarHBondContact OE1-NH2 2.85Å; E209-R305 IonicContact OE2-CZ 3.73Å; E209-R305 IonicContact OE2-NE 3.25Å; E209-R305 PolarHBondContact OE2-NE 3.2Å; E209-R305 IonicContact OE2-NH2 3.92Å
210	R	90.4	Very high	78.2	Confident	36 Å²	36	57.3 Å²	57.3	14%	0.136	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.1	171.1	-73.9	162.5	172.9	-95.6	5.5	107	L194 A195 S197 I207 E228 A229 I280	L194-R210 PolarHBondContact O-NH1 3.39Å; A195-R210 PolarHBondContact O-NH1 2.89Å; A195-R210 PolarHBondContact O-NH2 3.08Å; S197-R210 PolarHBondContact OG-NH2 2.9Å; I207-R210 HydrophobicContact CG2-CG 3.92Å; R210-E228 VanDerWaalsContact CD-O 3.27Å; R210-E228 WeakPolarHBondContact CD-O 3.26Å; R210-E228 PolarHBondContact NH1-O 3.47Å; R210-E228 VanDerWaalsContact NH1-O 3.11Å; R210-A229 HydrophobicContact CB-CB 3.91Å; R210-I280 HydrophobicContact CG-CB 4.22Å; R210-I280 HydrophobicContact CG-CG1 4.32Å
211	T	88.1	Confident	76.3	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.6	-179.3	59.6	0	0	0	0	110.6	P71 W213 A229 I280 F281 R282 Y301	P71-T211 HydrophobicContact CG-CG2 3.65Å; T211-W213 PolarHBondContact OG1-NE1 2.83Å; T211-A229 WeakPolarHBondContact O-CB 3.17Å; T211-I280 PolarHBondContact N-O 2.97Å; T211-I280 PolarHBondContact OG1-O 2.82Å; T211-I280 VanDerWaalsContact OG1-O 3.11Å; T211-F281 WeakPolarHBondContact OG1-CD1 3.34Å; T211-R282 PolarHBondContact O-N 2.7Å; T211-Y301 HydrophobicContact CG2-CE1 3.94Å
212	D	86.6	Confident	74.3	Confident	20 Å²	20	62.6 Å²	62.6	11%	0.107	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.2	176.2	-166.7	-15.6	0	0	0	110	T214 V215 A229 R282	D212-T214 WeakPolarHBondContact OD1-CB 3.3Å; D212-T214 PolarHBondContact OD1-N 3.37Å; D212-T214 PolarHBondContact OD1-OG1 3.47Å; D212-V215 HydrophobicContact CB-CG2 4.41Å; D212-A229 HydrophobicContact CB-CB 4.31Å; D212-R282 HydrophobicContact CB-CB 4.44Å; D212-R282 IonicContact OD1-NE 3.29Å; D212-R282 WeakPolarHBondContact OD2-CD 3.29Å; D212-R282 IonicContact OD2-NE 3.59Å; D212-R282 PolarHBondContact OD2-NE 3.27Å
213	W	82.9	Confident	72.1	Confident	19 Å²	19	67 Å²	67	7%	0.072	36%	0.356	C	S	.	.			trans	-101.6	-0.8	-178.8	-59.4	86.8	0	0	0	112.4	Y70 T211 F281 R282 V283 W294 D297 A298 Y301	Y70-W213 HydrophobicContact CD1-CH2 4.07Å; Y70-W213 HydrophobicContact CD1-CZ3 4.24Å; Y70-W213 HydrophobicContact CE1-CH2 4.3Å; Y70-W213 HydrophobicContact CE1-CZ3 4.24Å; T211-W213 PolarHBondContact OG1-NE1 2.83Å; W213-F281 AromaticContact NE1-CD1 3.47Å; W213-R282 PolarHBondContact N-O 3.07Å; W213-V283 HydrophobicContact CB-CG1 4.4Å; W213-V283 HydrophobicContact CG-CG1 4.45Å; W213-W294 HydrophobicContact CB-CB 4.14Å; W213-W294 HydrophobicContact CB-CG 4.47Å; W213-W294 VanDerWaalsContact O-CD2 3.3Å; W213-W294 VanDerWaalsContact O-CE2 3.26Å; W213-W294 PolarHBondContact O-NE1 3.43Å; W213-D297 HydrophobicContact CE3-CB 3.68Å; W213-D297 HydrophobicContact CH2-CB 4.24Å; W213-D297 HydrophobicContact CZ3-CB 3.46Å; W213-D297 VanDerWaalsContact CZ3-CB 3.46Å; W213-A298 HydrophobicContact CD2-CB 4.03Å; W213-A298 HydrophobicContact CG-CB 4.12Å; W213-A298 HydrophobicContact CZ2-CB 4.33Å; W213-Y301 HydrophobicContact CH2-CD2 4.24Å; W213-Y301 HydrophobicContact CH2-CG 4.12Å; W213-Y301 HydrophobicContact CZ2-CD1 4.24Å; W213-Y301 HydrophobicContact CZ2-CD2 4.27Å; W213-Y301 AromaticContact CZ2-CG 3.8Å; W213-Y301 HydrophobicContact CZ2-CG 3.8Å
214	T	78.8	Confident	70	Confident	19 Å²	19	69.1 Å²	69.1	12%	0.117	36%	0.363	C	S	.	.	S	Bend	trans	-93.3	-3.7	-171.3	70	0	0	0	0	114.2	D212 R282 T285 W294	D212-T214 WeakPolarHBondContact OD1-CB 3.3Å; D212-T214 PolarHBondContact OD1-N 3.37Å; D212-T214 PolarHBondContact OD1-OG1 3.47Å; T214-R282 HydrophobicContact CG2-CG 4.1Å; T214-R282 PolarHBondContact OG1-NE 2.86Å; T214-T285 HydrophobicContact CG2-CG2 4.48Å; T214-W294 VanDerWaalsContact CA-CH2 3.47Å; T214-W294 HydrophobicContact CG2-CE3 3.84Å; T214-W294 HydrophobicContact CG2-CH2 4.25Å; T214-W294 HydrophobicContact CG2-CZ3 3.57Å
215	V	69.3	Low	68	Low	53 Å²	53	72 Å²	72	32%	0.321	38%	0.379	S	S	.	.			trans	-95.4	128.5	-171.2	-176.6	0	0	0	0	111.4	D212 I217	D212-V215 HydrophobicContact CB-CG2 4.41Å; V215-I217 PolarHBondContact O-N 3.05Å
216	D	59.3	Low	66.2	Low	104 Å²	104	73.4 Å²	73.4	56%	0.556	39%	0.389	S	S	*	.			trans	-71.5	123.4	169	-168.4	-21.4	0	0	0	110.6	T218	D216-T218 VanDerWaalsContact C-N 3.26Å; D216-T218 PolarHBondContact O-N 2.94Å; D216-T218 WeakPolarHBondContact OD1-CB 3.2Å; D216-T218 WeakPolarHBondContact OD1-CG2 3.48Å; D216-T218 PolarHBondContact OD1-N 3.07Å; D216-T218 PolarHBondContact OD1-OG1 3.43Å; D216-T218 PolarHBondContact OD2-OG1 3.35Å
217	I	56.3	Low	64.5	Low	56 Å²	56	74.5 Å²	74.5	29%	0.287	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-70.5	-26.6	-175.2	-58.3	157.1	0	0	0	111.3	E67 R68 W69 V215 N219 R220	E67-I217 VanDerWaalsContact O-CD1 3.27Å; E67-I217 WeakPolarHBondContact O-CD1 3.46Å; R68-I217 VanDerWaalsContact C-CD1 3.44Å; R68-I217 VanDerWaalsContact CA-CD1 3.48Å; W69-I217 HydrophobicContact CB-CD1 3.51Å; W69-I217 HydrophobicContact CB-CG1 3.63Å; V215-I217 PolarHBondContact O-N 3.05Å; I217-N219 PolarHBondContact O-N 2.9Å; I217-R220 PolarHBondContact O-N 2.61Å
218	T	50.4	Low	63.4	Low	118 Å²	118	76.6 Å²	76.6	72%	0.724	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-65.5	-24.2	-173.7	59.1	0	0	0	0	112.9	D216	D216-T218 VanDerWaalsContact C-N 3.26Å; D216-T218 PolarHBondContact O-N 2.94Å; D216-T218 WeakPolarHBondContact OD1-CB 3.2Å; D216-T218 WeakPolarHBondContact OD1-CG2 3.48Å; D216-T218 PolarHBondContact OD1-N 3.07Å; D216-T218 PolarHBondContact OD1-OG1 3.43Å; D216-T218 PolarHBondContact OD2-OG1 3.35Å
219	N	48.5	Very low	62.9	Low	153 Å²	153	73.2 Å²	73.2	82%	0.818	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-100.2	16.6	-177.9	-111.5	-4.4	0	0	0	114.7	I217	I217-N219 PolarHBondContact O-N 2.9Å
220	R	51.4	Low	62.8	Low	82 Å²	82	73.1 Å²	73.1	31%	0.309	39%	0.386	S	S	.	.			trans	-77.1	126.6	-174.8	-78.9	-173.4	177	-168.3	1.3	114.5	W69 I217	W69-R220 VanDerWaalsContact CG-NH1 3.31Å; I217-R220 PolarHBondContact O-N 2.61Å
221	S	42.9	Very low	62.7	Low	71 Å²	71	71.8 Å²	71.8	50%	0.497	38%	0.381	S	S	.	.			trans	-82.9	131.6	138.3	179.5	0	0	0	0	108.4	S223 D224	S221-S223 PolarHBondContact O-N 3.13Å; S221-S223 PolarHBondContact OG-OG 2.76Å; S221-D224 PolarHBondContact O-N 3.11Å
222	Y	44.6	Very low	62.6	Low	201 Å²	201	79 Å²	79	79%	0.788	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-6.3	-178.9	-147.7	-94.2	0	0	0	113.5
223	S	43	Very low	62.5	Low	94 Å²	94	80.3 Å²	80.3	66%	0.657	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.4	-176.7	65.5	0	0	0	0	114.5	S221 D225	S221-S223 PolarHBondContact O-N 3.13Å; S221-S223 PolarHBondContact OG-OG 2.76Å; S223-D225 PolarHBondContact O-N 3.09Å
224	D	38.6	Very low	62.7	Low	102 Å²	102	79.4 Å²	79.4	55%	0.545	41%	0.41	S	S	.	.			trans	-77	120.4	-171.1	-131.4	-7	0	0	0	110.5	S221 S226	S221-D224 PolarHBondContact O-N 3.11Å; D224-S226 PolarHBondContact O-N 2.94Å
225	D	42.3	Very low	63.2	Low	139 Å²	139	78.6 Å²	78.6	74%	0.743	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-59.1	5	171.5	-72.9	-36.4	0	0	0	112.8	S223 I227	S223-D225 PolarHBondContact O-N 3.09Å; D225-I227 PolarHBondContact O-N 3.1Å
226	S	49.9	Very low	64.2	Low	43 Å²	43	76.1 Å²	76.1	30%	0.301	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-63.1	1.3	172.8	76.7	0	0	0	0	114.3	D224 E228	D224-S226 PolarHBondContact O-N 2.94Å; S226-E228 PolarHBondContact O-N 3.24Å
227	I	55.3	Low	65.8	Low	95 Å²	95	71.1 Å²	71.1	49%	0.487	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-73.8	-12.3	178.7	-63.8	173.7	0	0	0	112	D225 A229	D225-I227 PolarHBondContact O-N 3.1Å; I227-A229 VanDerWaalsContact C-N 3.28Å; I227-A229 PolarHBondContact O-N 3.46Å
228	E	70.6	Confident	67.5	Low	84 Å²	84	68.5 Å²	68.5	39%	0.393	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-80.3	5.6	-170.6	-70.2	-162.2	164.9	0	0	116.3	R210 S226 L230	R210-E228 VanDerWaalsContact CD-O 3.27Å; R210-E228 WeakPolarHBondContact CD-O 3.26Å; R210-E228 PolarHBondContact NH1-O 3.47Å; R210-E228 VanDerWaalsContact NH1-O 3.11Å; S226-E228 PolarHBondContact O-N 3.24Å; E228-L230 HydrophobicContact CB-CD1 4.22Å; E228-L230 HydrophobicContact CB-CD2 3.81Å; E228-L230 HydrophobicContact CB-CG 3.63Å; E228-L230 PolarHBondContact O-N 2.87Å; E228-L230 VanDerWaalsContact O-N 3.07Å
229	A	82.4	Confident	69.6	Low	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.315	C	S	.	.			trans	44.6	43.5	-177.1	0	0	0	0	0	111.6	G193 L194 R210 T211 D212 I227 I280 R282	G193-A229 CarbonylContact C-O 3.51Å; G193-A229 WeakPolarHBondContact CA-O 3.47Å; L194-A229 PolarHBondContact N-O 3.44Å; R210-A229 HydrophobicContact CB-CB 3.91Å; T211-A229 WeakPolarHBondContact O-CB 3.17Å; D212-A229 HydrophobicContact CB-CB 4.31Å; I227-A229 VanDerWaalsContact C-N 3.28Å; I227-A229 PolarHBondContact O-N 3.46Å; A229-I280 HydrophobicContact CB-CG2 4.42Å; A229-R282 HydrophobicContact CB-CB 3.89Å
230	L	88.1	Confident	71.8	Confident	41 Å²	41	55.6 Å²	55.6	22%	0.215	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-67.3	135.4	-170.4	-70.8	174.9	0	0	0	110.2	L194 P196 E228 R282	L194-L230 WeakPolarHBondContact O-CA 3.26Å; P196-L230 HydrophobicContact CB-CD2 4.21Å; P196-L230 HydrophobicContact CG-CD2 3.89Å; E228-L230 HydrophobicContact CB-CD1 4.22Å; E228-L230 HydrophobicContact CB-CD2 3.81Å; E228-L230 HydrophobicContact CB-CG 3.63Å; E228-L230 PolarHBondContact O-N 2.87Å; E228-L230 VanDerWaalsContact O-N 3.07Å; L230-R282 PolarHBondContact O-NH1 2.83Å
231	D	88.1	Confident	73.8	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.043	26%	0.262	C	S	.	.			trans	-77.1	125.7	170.3	-167.2	5.6	0	0	0	110.1	T192 L194 H233 G234 G236 T237 L409	T192-D231 WeakPolarHBondContact CB-OD1 3.24Å; T192-D231 WeakPolarHBondContact O-CA 3.3Å; T192-D231 PolarHBondContact OG1-OD1 2.81Å; L194-D231 PolarHBondContact O-N 3.49Å; D231-H233 PolarHBondContact OD1-N 3.44Å; D231-G234 PolarHBondContact OD1-N 2.91Å; D231-G234 WeakPolarHBondContact OD2-CA 3.19Å; D231-G234 PolarHBondContact OD2-N 3.5Å; D231-G234 VanDerWaalsContact OD2-N 3.12Å; D231-G236 PolarHBondContact OD2-N 3.49Å; D231-T237 VanDerWaalsContact CB-OG1 3.23Å; D231-T237 WeakPolarHBondContact CB-OG1 3.42Å; D231-T237 WeakPolarHBondContact OD2-CB 3.43Å; D231-T237 PolarHBondContact OD2-N 3.23Å; D231-T237 PolarHBondContact OD2-OG1 3.11Å; D231-L409 HydrophobicContact CB-CD2 3.88Å; D231-L409 WeakPolarHBondContact O-CD2 3.46Å
232	R	85.4	Confident	76.3	Confident	158 Å²	158	48.7 Å²	48.7	60%	0.596	24%	0.24	S	C	*	.	S	Bend	trans	-120.3	2.9	173.1	-59.6	171.5	174.8	171.4	0.6	112.3	D286	R232-D286 WeakPolarHBondContact CB-OD1 3.31Å; R232-D286 WeakPolarHBondContact CD-OD2 3.41Å; R232-D286 IonicContact NH1-OD2 2.73Å; R232-D286 PolarHBondContact NH1-OD2 3.47Å
233	H	83.7	Confident	78.8	Confident	47 Å²	47	39.1 Å²	39.1	22%	0.218	20%	0.203	C	C	.	.	S	Bend	trans	-105	-36.8	177	-176.4	88.9	0	0	0	111.6	L121 T192 D231 Q288	L121-H233 WeakPolarHBondContact CD1-NE2 2.9Å; T192-H233 HydrophobicContact CG2-CB 3.8Å; D231-H233 PolarHBondContact OD1-N 3.44Å; H233-Q288 PolarHBondContact CE1-NE2 3.13Å
234	G	87.4	Confident	81.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	99.3	-11.2	176.9	0	0	0	0	0	114.7	D231 Y238	D231-G234 PolarHBondContact OD1-N 2.91Å; D231-G234 WeakPolarHBondContact OD2-CA 3.19Å; D231-G234 PolarHBondContact OD2-N 3.5Å; D231-G234 VanDerWaalsContact OD2-N 3.12Å; G234-Y238 WeakPolarHBondContact O-CB 3.26Å; G234-Y238 PolarHBondContact O-N 3.21Å
235	H	89.1	Confident	83.7	Confident	2 Å²	2	30 Å²	30	1%	0.009	15%	0.147	C	C	.	.	H	α-helix	trans	-71.5	-47.8	-179.9	-175.8	-88.8	0	0	0	110.9	L121 D191 T237 Y238 V239	L121-H235 HydrophobicContact CD1-CB 4.05Å; L121-H235 VanDerWaalsContact CD1-CD2 3.49Å; L121-H235 WeakPolarHBondContact CD1-CD2 3.01Å; D191-H235 IonicContact OD1-CE1 2.7Å; D191-H235 IonicContact OD1-CG 2.77Å; D191-H235 IonicContact OD1-ND1 3.15Å; D191-H235 PolarHBondContact OD1-ND1 2.89Å; D191-H235 IonicContact OD2-CE1 3.5Å; D191-H235 PolarHBondContact OD2-CE1 3.1Å; D191-H235 IonicContact OD2-ND1 3.39Å; D191-H235 PolarHBondContact OD2-ND1 3.24Å; H235-T237 VanDerWaalsContact C-N 3.28Å; H235-T237 PolarHBondContact O-N 3.43Å; H235-Y238 WeakPolarHBondContact O-CB 3.3Å; H235-Y238 PolarHBondContact O-N 3.01Å; H235-Y238 VanDerWaalsContact O-N 3.13Å; H235-V239 WeakPolarHBondContact O-CB 3.26Å; H235-V239 VanDerWaalsContact O-CG2 3.32Å; H235-V239 WeakPolarHBondContact O-CG2 3.19Å; H235-V239 PolarHBondContact O-N 2.94Å
236	G	90.9	Very high	85.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-36.6	176.6	0	0	0	0	0	113.3	D191 T192 G193 D231 T240	D191-G236 WeakPolarHBondContact OD1-CA 3.31Å; D191-G236 PolarHBondContact OD1-N 3.03Å; D191-G236 VanDerWaalsContact OD1-N 3.12Å; T192-G236 PolarHBondContact OG1-N 3.49Å; G193-G236 CarbonylContact O-C 3.52Å; G193-G236 VanDerWaalsContact O-CA 3.32Å; G193-G236 WeakPolarHBondContact O-CA 3.18Å; D231-G236 PolarHBondContact OD2-N 3.49Å; G236-T240 VanDerWaalsContact O-CB 3.3Å; G236-T240 WeakPolarHBondContact O-CB 3.34Å; G236-T240 PolarHBondContact O-N 2.74Å; G236-T240 PolarHBondContact O-OG1 2.79Å
237	T	92.8	Very high	86.4	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-44.7	173.7	-60.1	0	0	0	0	111.7	A195 F202 D231 H235 G241 L409	A195-T237 HydrophobicContact CB-CG2 3.73Å; A195-T237 PolarHBondContact N-OG1 2.61Å; F202-T237 HydrophobicContact CE2-CG2 3.78Å; F202-T237 HydrophobicContact CZ-CG2 4.4Å; D231-T237 VanDerWaalsContact CB-OG1 3.23Å; D231-T237 WeakPolarHBondContact CB-OG1 3.42Å; D231-T237 WeakPolarHBondContact OD2-CB 3.43Å; D231-T237 PolarHBondContact OD2-N 3.23Å; D231-T237 PolarHBondContact OD2-OG1 3.11Å; H235-T237 VanDerWaalsContact C-N 3.28Å; H235-T237 PolarHBondContact O-N 3.43Å; T237-G241 PolarHBondContact O-N 2.75Å; T237-L409 HydrophobicContact CG2-CD2 4.4Å; T237-L409 WeakPolarHBondContact OG1-CD2 3.09Å
238	Y	92.5	Very high	86.5	Confident	1 Å²	1	21.6 Å²	21.6	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-48.7	175.9	175.7	-81.4	0	0	0	111.8	G234 H235 G241 L242 V404 S406 S407 R414 L416 V421	G234-Y238 WeakPolarHBondContact O-CB 3.26Å; G234-Y238 PolarHBondContact O-N 3.21Å; H235-Y238 WeakPolarHBondContact O-CB 3.3Å; H235-Y238 PolarHBondContact O-N 3.01Å; H235-Y238 VanDerWaalsContact O-N 3.13Å; Y238-G241 PolarHBondContact O-N 2.99Å; Y238-L242 HydrophobicContact CD1-CD1 4.32Å; Y238-L242 HydrophobicContact CE1-CD1 3.65Å; Y238-L242 HydrophobicContact CE1-CG 4.45Å; Y238-L242 PolarHBondContact O-N 3.21Å; Y238-V404 PolarHBondContact OH-O 3.34Å; Y238-S406 VanDerWaalsContact CE2-CB 3.41Å; Y238-S406 WeakPolarHBondContact O-CB 3.37Å; Y238-S406 PolarHBondContact O-OG 2.89Å; Y238-S407 VanDerWaalsContact CA-O 3.24Å; Y238-S407 WeakPolarHBondContact CA-O 3.44Å; Y238-R414 HydrophobicContact CD2-CB 4.16Å; Y238-R414 HydrophobicContact CD2-CG 4.44Å; Y238-R414 WeakPolarHBondContact CE2-O 3.35Å; Y238-L416 HydrophobicContact CD1-CD1 3.67Å; Y238-L416 HydrophobicContact CD2-CD1 3.61Å; Y238-L416 HydrophobicContact CD2-CG 3.91Å; Y238-L416 HydrophobicContact CE1-CB 4.09Å; Y238-L416 HydrophobicContact CE1-CD1 3.84Å; Y238-L416 HydrophobicContact CE1-CG 4.31Å; Y238-L416 HydrophobicContact CE2-CB 3.84Å; Y238-L416 HydrophobicContact CE2-CD1 3.77Å; Y238-L416 HydrophobicContact CE2-CG 3.63Å; Y238-L416 HydrophobicContact CG-CD1 3.58Å; Y238-L416 HydrophobicContact CG-CG 4.37Å; Y238-V421 HydrophobicContact CE1-CG1 4.33Å; Y238-V421 HydrophobicContact CE1-CG2 3.91Å
239	V	93.7	Very high	85.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.8	-49.1	179.1	166.3	0	0	0	0	110.7	I189 H235 G241 L242 N311 P424	I189-V239 HydrophobicContact CG2-CG1 4.05Å; H235-V239 WeakPolarHBondContact O-CB 3.26Å; H235-V239 VanDerWaalsContact O-CG2 3.32Å; H235-V239 WeakPolarHBondContact O-CG2 3.19Å; H235-V239 PolarHBondContact O-N 2.94Å; V239-G241 PolarHBondContact O-N 3.07Å; V239-L242 PolarHBondContact O-N 3.43Å; V239-N311 WeakPolarHBondContact CG1-ND2 3.46Å; V239-P424 HydrophobicContact CG1-CB 3.84Å; V239-P424 HydrophobicContact CG1-CG 4.07Å; V239-P424 HydrophobicContact CG2-CG 4.48Å
240	T	95.4	Very high	84.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-32.9	178.3	-54.6	0	0	0	0	111.5	L194 F202 G236 L242 I243 A244 L278 I280	L194-T240 HydrophobicContact CD1-CG2 3.77Å; L194-T240 HydrophobicContact CD2-CG2 4.29Å; F202-T240 HydrophobicContact CD1-CG2 4.34Å; F202-T240 HydrophobicContact CE1-CG2 3.75Å; F202-T240 HydrophobicContact CZ-CG2 4.26Å; G236-T240 VanDerWaalsContact O-CB 3.3Å; G236-T240 WeakPolarHBondContact O-CB 3.34Å; G236-T240 PolarHBondContact O-N 2.74Å; G236-T240 PolarHBondContact O-OG1 2.79Å; T240-L242 PolarHBondContact O-N 3.33Å; T240-I243 PolarHBondContact O-N 3.48Å; T240-A244 PolarHBondContact O-N 3.46Å; T240-L278 HydrophobicContact CG2-CD1 4.05Å; T240-I280 HydrophobicContact CG2-CD1 4.36Å
241	G	93.9	Very high	82.3	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-42.4	177.4	0	0	0	0	0	113.4	T237 Y238 V239 I243 A244 A245 G271 S406	T237-G241 PolarHBondContact O-N 2.75Å; Y238-G241 PolarHBondContact O-N 2.99Å; V239-G241 PolarHBondContact O-N 3.07Å; G241-I243 PolarHBondContact O-N 3.48Å; G241-A244 PolarHBondContact O-N 3.43Å; G241-A245 WeakPolarHBondContact O-CB 3.01Å; G241-A245 PolarHBondContact O-N 3.07Å; G241-G271 VanDerWaalsContact O-CA 3.31Å; G241-G271 WeakPolarHBondContact O-CA 3.5Å; G241-S406 WeakPolarHBondContact CA-OG 3.31Å
242	L	94.7	Very high	80.6	Confident	7 Å²	7	33 Å²	33	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-28.9	178.2	-66.4	171.4	0	0	0	112.5	Y238 V239 T240 G271 F272 V404 S406 V421 P424 I425	Y238-L242 HydrophobicContact CD1-CD1 4.32Å; Y238-L242 HydrophobicContact CE1-CD1 3.65Å; Y238-L242 HydrophobicContact CE1-CG 4.45Å; Y238-L242 PolarHBondContact O-N 3.21Å; V239-L242 PolarHBondContact O-N 3.43Å; T240-L242 PolarHBondContact O-N 3.33Å; L242-G271 VanDerWaalsContact O-CA 3.32Å; L242-G271 WeakPolarHBondContact O-CA 3.46Å; L242-F272 PolarHBondContact O-N 2.96Å; L242-V404 HydrophobicContact CD2-CG1 3.68Å; L242-S406 PolarHBondContact N-OG 3.34Å; L242-V421 HydrophobicContact CD1-CG1 3.84Å; L242-P424 HydrophobicContact CB-CB 4.23Å; L242-P424 HydrophobicContact CB-CG 4.36Å; L242-P424 HydrophobicContact CD1-CG 3.77Å; L242-I425 HydrophobicContact CB-CG1 4.48Å; L242-I425 HydrophobicContact CD1-CG1 4.28Å; L242-I425 HydrophobicContact CD2-CG1 4.41Å
243	I	96.2	Very high	78.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-82.4	-50.6	178.4	-61.1	169.8	0	0	0	110.2	V187 I189 T240 G241 G271 F272 A273 N311 P424 T427	V187-I243 HydrophobicContact CG1-CG2 4.36Å; I189-I243 HydrophobicContact CG1-CD1 3.93Å; T240-I243 PolarHBondContact O-N 3.48Å; G241-I243 PolarHBondContact O-N 3.48Å; I243-G271 CarbonylContact O-C 3.38Å; I243-G271 WeakPolarHBondContact O-CA 3.44Å; I243-F272 PolarHBondContact O-N 3.25Å; I243-F272 VanDerWaalsContact O-N 3.11Å; I243-A273 CarbonylContact O-C 3.52Å; I243-A273 WeakPolarHBondContact O-CA 3.37Å; I243-A273 PolarHBondContact O-N 2.99Å; I243-N311 HydrophobicContact CD1-CB 4.19Å; I243-P424 HydrophobicContact CD1-CB 3.91Å; I243-P424 HydrophobicContact CG1-CB 3.79Å; I243-P424 WeakPolarHBondContact CG1-O 3.42Å; I243-T427 HydrophobicContact CD1-CG2 3.84Å; I243-T427 HydrophobicContact CG1-CG2 4.36Å
244	A	94.3	Very high	77.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-144.1	16.5	-161.1	0	0	0	0	0	116.3	S205 T240 G241 Q246 A273 L278	S205-A244 PolarHBondContact OG-O 3.44Å; T240-A244 PolarHBondContact O-N 3.46Å; G241-A244 PolarHBondContact O-N 3.43Å; A244-Q246 PolarHBondContact O-N 2.94Å; A244-A273 WeakPolarHBondContact CB-O 3.05Å; A244-L278 HydrophobicContact CB-CD1 3.67Å; A244-L278 HydrophobicContact CB-CD2 3.76Å; A244-L278 HydrophobicContact CB-CG 4.23Å
245	A	90.4	Very high	75.8	Confident	4 Å²	4	33.3 Å²	33.3	3%	0.033	17%	0.165	C	C	.	.			trans	-58.9	135.2	172.4	0	0	0	0	0	111.4	H201 F202 G241 G271	H201-A245 HydrophobicContact CB-CB 4.27Å; H201-A245 CarbonylContact O-C 3.47Å; H201-A245 WeakPolarHBondContact O-CA 3.37Å; F202-A245 HydrophobicContact CE1-CB 4.35Å; G241-A245 WeakPolarHBondContact O-CB 3.01Å; G241-A245 PolarHBondContact O-N 3.07Å; A245-G271 PolarHBondContact O-N 3.2Å
246	Q	82.5	Confident	74.1	Confident	11 Å²	11	36.9 Å²	36.9	5%	0.051	18%	0.183	C	C	.	.			trans	-131.1	126.3	176	-172.6	168.4	-22.7	0	0	109.8	H201 L204 A244 P274	H201-Q246 CarbonylContact C-O 3.49Å; H201-Q246 PolarHBondContact O-N 2.9Å; H201-Q246 VanDerWaalsContact O-O 3.05Å; L204-Q246 HydrophobicContact CB-CB 4.18Å; L204-Q246 VanDerWaalsContact CB-CD 3.41Å; L204-Q246 HydrophobicContact CB-CG 3.86Å; L204-Q246 HydrophobicContact CD1-CG 4.12Å; L204-Q246 VanDerWaalsContact CD1-NE2 3.28Å; A244-Q246 PolarHBondContact O-N 2.94Å; Q246-P274 HydrophobicContact CB-CB 4.24Å
247	N	67.9	Low	72.2	Confident	25 Å²	25	43.8 Å²	43.8	13%	0.134	22%	0.215	C	C	.	.			trans	-110.1	112.6	177.4	-168.7	-27.9	0	0	0	110.6	N249 C267	N247-N249 VanDerWaalsContact C-N 3.34Å; N247-N249 PolarHBondContact O-N 3.08Å; N247-N249 PolarHBondContact OD1-N 2.56Å; N247-C267 PolarHBondContact ND2-O 2.88Å
248	P	57.6	Low	70.1	Confident	65 Å²	65	44.6 Å²	44.6	42%	0.422	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.8	-179.4	21.8	-29.9	0	0	0	114.5	L204	L204-P248 HydrophobicContact CD1-CB 3.79Å; L204-P248 HydrophobicContact CD1-CG 4.4Å
249	N	52.2	Low	68.1	Low	123 Å²	123	48 Å²	48	66%	0.658	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-0.6	-165.9	-74.5	-29.1	0	0	0	114.4	N247	N247-N249 VanDerWaalsContact C-N 3.34Å; N247-N249 PolarHBondContact O-N 3.08Å; N247-N249 PolarHBondContact OD1-N 2.56Å
250	L	50.5	Low	66	Low	19 Å²	19	53.9 Å²	53.9	10%	0.099	27%	0.267	C	S	.	.			trans	-115.1	103.4	-177	-108.9	78.1	0	0	0	111.1	F255 T266 P268	L250-F255 HydrophobicContact CD2-CB 3.74Å; L250-F255 HydrophobicContact CD2-CD2 4.21Å; L250-F255 HydrophobicContact CD2-CG 4.35Å; L250-T266 HydrophobicContact CD1-CG2 4.17Å; L250-P268 HydrophobicContact CD2-CB 4.18Å; L250-P268 HydrophobicContact CD2-CG 3.91Å
251	Y	50.2	Low	63.8	Low	153 Å²	153	62.1 Å²	62.1	60%	0.6	30%	0.303	S	S	*	.			trans	-71.2	140.9	152.1	-145.9	-99.2	0	0	0	107.9	S253 K254 F255	Y251-S253 PolarHBondContact O-N 2.87Å; Y251-K254 WeakPolarHBondContact O-CB 2.99Å; Y251-K254 PolarHBondContact O-N 3.1Å; Y251-F255 PolarHBondContact O-N 2.89Å
252	Y	51.2	Low	61.4	Low	76 Å²	76	70.6 Å²	70.6	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-52	-33.6	-175.8	-177.9	-106.2	0	0	0	113.6	W167 K254 F255 I256	W167-Y252 HydrophobicContact CH2-CD2 4.06Å; W167-Y252 AromaticContact CH2-CE2 3.66Å; W167-Y252 HydrophobicContact CH2-CE2 3.66Å; W167-Y252 HydrophobicContact CZ2-CE2 4.43Å; Y252-K254 VanDerWaalsContact C-N 3.34Å; Y252-K254 PolarHBondContact O-N 2.97Å; Y252-F255 HydrophobicContact CE2-CD1 4.41Å; Y252-F255 WeakPolarHBondContact O-CB 3.24Å; Y252-F255 PolarHBondContact O-N 3.41Å; Y252-I256 HydrophobicContact CD1-CD1 4.34Å; Y252-I256 HydrophobicContact CE1-CD1 3.78Å
253	S	49.7	Very low	59.1	Low	69 Å²	69	74 Å²	74	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-64.5	-33.7	175.6	58.4	0	0	0	0	113.9	Y251 H257	Y251-S253 PolarHBondContact O-N 2.87Å; S253-H257 PolarHBondContact O-N 3.48Å
254	K	51.1	Low	56.9	Low	131 Å²	131	78.7 Å²	78.7	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-73.4	-30.2	179.1	-159	176	-177	-177.1	0	111.5	Y251 Y252 H257 S258	Y251-K254 WeakPolarHBondContact O-CB 2.99Å; Y251-K254 PolarHBondContact O-N 3.1Å; Y252-K254 VanDerWaalsContact C-N 3.34Å; Y252-K254 PolarHBondContact O-N 2.97Å; K254-H257 PolarHBondContact O-N 2.78Å; K254-S258 WeakPolarHBondContact O-CB 3.14Å; K254-S258 PolarHBondContact O-N 3.29Å
255	F	55	Low	54.8	Low	13 Å²	13	83 Å²	83	6%	0.057	42%	0.415	C	S	.	.	H	α-helix	trans	-59.8	-54.7	172.6	170	-122.3	0	0	0	112	L163 L250 Y251 Y252 H257 S258 F259 P268	L163-F255 HydrophobicContact CD2-CE1 3.8Å; L163-F255 HydrophobicContact CD2-CZ 3.74Å; L250-F255 HydrophobicContact CD2-CB 3.74Å; L250-F255 HydrophobicContact CD2-CD2 4.21Å; L250-F255 HydrophobicContact CD2-CG 4.35Å; Y251-F255 PolarHBondContact O-N 2.89Å; Y252-F255 HydrophobicContact CE2-CD1 4.41Å; Y252-F255 WeakPolarHBondContact O-CB 3.24Å; Y252-F255 PolarHBondContact O-N 3.41Å; F255-H257 PolarHBondContact O-N 2.94Å; F255-S258 PolarHBondContact O-N 3.35Å; F255-F259 HydrophobicContact CE2-CB 4.28Å; F255-F259 AromaticContact CE2-CD2 3.76Å; F255-F259 HydrophobicContact CE2-CD2 3.76Å; F255-F259 HydrophobicContact CE2-CG 4.36Å; F255-F259 HydrophobicContact CZ-CD2 4.12Å; F255-F259 PolarHBondContact O-N 2.93Å; F255-P268 HydrophobicContact CD1-CG 4.36Å; F255-P268 HydrophobicContact CD2-CB 4.48Å; F255-P268 HydrophobicContact CD2-CG 3.07Å; F255-P268 HydrophobicContact CE1-CG 4.37Å; F255-P268 HydrophobicContact CE2-CG 3.07Å; F255-P268 HydrophobicContact CG-CG 3.75Å; F255-P268 HydrophobicContact CZ-CG 3.76Å
256	I	52.9	Low	53	Low	77 Å²	77	84 Å²	84	40%	0.395	42%	0.421	S	S	.	.	H	α-helix	trans	-57.2	-38.3	-178.2	-62.7	177.4	0	0	0	110.7	Y252 N260	Y252-I256 HydrophobicContact CD1-CD1 4.34Å; Y252-I256 HydrophobicContact CE1-CD1 3.78Å; I256-N260 PolarHBondContact O-ND2 3.07Å
257	H	51.1	Low	51.9	Low	145 Å²	145	84 Å²	84	67%	0.671	42%	0.422	S	S	*	.	H	α-helix	trans	-71.9	-36	177.3	-94.6	-65.6	0	0	0	114.3	S253 K254 F255	S253-H257 PolarHBondContact O-N 3.48Å; K254-H257 PolarHBondContact O-N 2.78Å; F255-H257 PolarHBondContact O-N 2.94Å
258	S	49.6	Very low	51.1	Low	17 Å²	17	83.6 Å²	83.6	12%	0.119	42%	0.421	C	S	.	.	H	α-helix	trans	-81.2	-31.3	-177.2	-155.7	0	0	0	0	112.8	K254 F255 N260 K261 T266	K254-S258 WeakPolarHBondContact O-CB 3.14Å; K254-S258 PolarHBondContact O-N 3.29Å; F255-S258 PolarHBondContact O-N 3.35Å; S258-N260 VanDerWaalsContact C-N 3.32Å; S258-N260 PolarHBondContact O-N 3Å; S258-K261 WeakPolarHBondContact O-CA 3.46Å; S258-K261 WeakPolarHBondContact O-CB 3.39Å; S258-K261 PolarHBondContact O-N 3.1Å; S258-T266 VanDerWaalsContact CB-OG1 3.23Å; S258-T266 WeakPolarHBondContact CB-OG1 3.26Å; S258-T266 WeakPolarHBondContact OG-CB 3.26Å; S258-T266 WeakPolarHBondContact OG-CG2 3.39Å; S258-T266 PolarHBondContact OG-OG1 2.87Å
259	F	49.7	Very low	51.3	Low	71 Å²	71	81.2 Å²	81.2	31%	0.311	41%	0.406	S	S	.	.	H	α-helix	trans	-61	-42	175.8	-159.4	-91.6	0	0	0	111.8	P162 L163 F255 K261 H262	P162-F259 HydrophobicContact CB-CE1 4.1Å; P162-F259 HydrophobicContact CB-CE2 3.64Å; P162-F259 HydrophobicContact CB-CZ 3.22Å; P162-F259 HydrophobicContact CG-CZ 3.85Å; L163-F259 HydrophobicContact CD2-CB 4.2Å; L163-F259 HydrophobicContact CD2-CD1 3.73Å; L163-F259 HydrophobicContact CD2-CD2 4.28Å; L163-F259 HydrophobicContact CD2-CE1 4.24Å; L163-F259 HydrophobicContact CD2-CG 3.78Å; L163-F259 HydrophobicContact CG-CD1 4.19Å; L163-F259 HydrophobicContact CG-CE1 4.32Å; F255-F259 HydrophobicContact CE2-CB 4.28Å; F255-F259 AromaticContact CE2-CD2 3.76Å; F255-F259 HydrophobicContact CE2-CD2 3.76Å; F255-F259 HydrophobicContact CE2-CG 4.36Å; F255-F259 HydrophobicContact CZ-CD2 4.12Å; F255-F259 PolarHBondContact O-N 2.93Å; F259-K261 PolarHBondContact O-N 3.47Å; F259-K261 VanDerWaalsContact O-N 3.09Å; F259-H262 PolarHBondContact O-N 2.68Å; F259-H262 VanDerWaalsContact O-N 3.13Å
260	N	49.7	Very low	52.3	Low	125 Å²	125	76.7 Å²	76.7	67%	0.668	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.5	174	-74.2	-28.1	0	0	0	113.8	I256 S258	I256-N260 PolarHBondContact O-ND2 3.07Å; S258-N260 VanDerWaalsContact C-N 3.32Å; S258-N260 PolarHBondContact O-N 3Å
261	K	49.5	Very low	54.1	Low	173 Å²	173	75.8 Å²	75.8	75%	0.752	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	1.7	176.9	-89.9	-176.1	175.6	-180	0	114.2	S258 F259 D263	S258-K261 WeakPolarHBondContact O-CA 3.46Å; S258-K261 WeakPolarHBondContact O-CB 3.39Å; S258-K261 PolarHBondContact O-N 3.1Å; F259-K261 PolarHBondContact O-N 3.47Å; F259-K261 VanDerWaalsContact O-N 3.09Å; K261-D263 PolarHBondContact O-N 2.67Å; K261-D263 VanDerWaalsContact O-N 3.12Å
262	H	43.9	Very low	56.2	Low	178 Å²	178	68.7 Å²	68.7	82%	0.824	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	28.8	-174.4	-71.8	-77.9	0	0	0	113.2	F259 D264	F259-H262 PolarHBondContact O-N 2.68Å; F259-H262 VanDerWaalsContact O-N 3.13Å; H262-D264 PolarHBondContact O-N 2.88Å
263	D	46.7	Very low	58.3	Low	79 Å²	79	65.1 Å²	65.1	42%	0.422	33%	0.333	S	S	.	.			trans	-84.1	97.6	177.1	-167.4	-5.1	0	0	0	109.1	K261 S265 T266	K261-D263 PolarHBondContact O-N 2.67Å; K261-D263 VanDerWaalsContact O-N 3.12Å; D263-S265 PolarHBondContact O-N 3.49Å; D263-S265 WeakPolarHBondContact OD1-CB 3.31Å; D263-S265 PolarHBondContact OD1-N 3.35Å; D263-S265 VanDerWaalsContact OD1-N 3.1Å; D263-S265 PolarHBondContact OD1-OG 3.09Å; D263-S265 PolarHBondContact OD2-OG 3.41Å; D263-T266 PolarHBondContact O-N 3.43Å; D263-T266 PolarHBondContact O-OG1 2.72Å
264	D	49.1	Very low	60.4	Low	98 Å²	98	61.8 Å²	61.8	52%	0.524	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-18.3	174.6	-159.3	38.6	0	0	0	112.2	H262 T266 K412	H262-D264 PolarHBondContact O-N 2.88Å; D264-T266 PolarHBondContact O-N 3.35Å; D264-K412 IonicContact OD2-NZ 2.86Å; D264-K412 PolarHBondContact OD2-NZ 2.89Å
265	S	49.5	Very low	62.4	Low	90 Å²	90	58.7 Å²	58.7	63%	0.629	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.4	175.5	78.2	0	0	0	0	114.4	D263	D263-S265 PolarHBondContact O-N 3.49Å; D263-S265 WeakPolarHBondContact OD1-CB 3.31Å; D263-S265 PolarHBondContact OD1-N 3.35Å; D263-S265 VanDerWaalsContact OD1-N 3.1Å; D263-S265 PolarHBondContact OD1-OG 3.09Å; D263-S265 PolarHBondContact OD2-OG 3.41Å
266	T	53.1	Low	64.3	Low	25 Å²	25	58.1 Å²	58.1	15%	0.153	29%	0.292	C	S	.	.			trans	-101.9	75	174.2	46.6	0	0	0	0	111.9	L250 S258 D263 D264 P268	L250-T266 HydrophobicContact CD1-CG2 4.17Å; S258-T266 VanDerWaalsContact CB-OG1 3.23Å; S258-T266 WeakPolarHBondContact CB-OG1 3.26Å; S258-T266 WeakPolarHBondContact OG-CB 3.26Å; S258-T266 WeakPolarHBondContact OG-CG2 3.39Å; S258-T266 PolarHBondContact OG-OG1 2.87Å; D263-T266 PolarHBondContact O-N 3.43Å; D263-T266 PolarHBondContact O-OG1 2.72Å; D264-T266 PolarHBondContact O-N 3.35Å; T266-P268 WeakPolarHBondContact O-CD 3.48Å
267	C	59	Low	66.5	Low	12 Å²	12	56 Å²	56	8%	0.081	28%	0.281	C	S	.	.			trans	-81.6	112.9	171.7	174.5	0	0	0	0	111.3	H201 N247 C413	H201-C267 PolarHBondContact CE1-SG 3.3Å; N247-C267 PolarHBondContact ND2-O 2.88Å; C267-C413 WeakPolarHBondContact CA-SG 3.39Å; C267-C413 HydrophobicContact CB-CB 3.93Å; C267-C413 WeakPolarHBondContact CB-SG 3.34Å; C267-C413 WeakPolarHBondContact SG-CA 3.49Å; C267-C413 WeakPolarHBondContact SG-CB 3.25Å; C267-C413 PolarHBondContact SG-N 3.32Å; C267-C413 VanDerWaalsContact SG-N 3.37Å; C267-C413 CovalentContact SG-SG 2.01Å; C267-C413 PolarHBondContact SG-SG 2.94Å
268	P	52.4	Low	68.7	Low	16 Å²	16	49 Å²	49	10%	0.104	25%	0.249	C	C	.	.			trans	-127	149.7	146.8	40.2	-29.9	0	0	0	110.5	L250 F255 T266	L250-P268 HydrophobicContact CD2-CB 4.18Å; L250-P268 HydrophobicContact CD2-CG 3.91Å; F255-P268 HydrophobicContact CD1-CG 4.36Å; F255-P268 HydrophobicContact CD2-CB 4.48Å; F255-P268 HydrophobicContact CD2-CG 3.07Å; F255-P268 HydrophobicContact CE1-CG 4.37Å; F255-P268 HydrophobicContact CE2-CG 3.07Å; F255-P268 HydrophobicContact CG-CG 3.75Å; F255-P268 HydrophobicContact CZ-CG 3.76Å; T266-P268 WeakPolarHBondContact O-CD 3.48Å
269	P	60.8	Low	70.9	Confident	15 Å²	15	48.7 Å²	48.7	10%	0.097	25%	0.246	C	C	.	.				-120	159.9	72.6	32	-24.5	0	0	0	115	Q165 I405	Q165-P269 HydrophobicContact CB-CB 4.12Å; Q165-P269 HydrophobicContact CB-CG 4.28Å; Q165-P269 HydrophobicContact CG-CB 4.37Å; Q165-P269 HydrophobicContact CG-CG 4.25Å; P269-I405 VanDerWaalsContact CD-O 3.25Å; P269-I405 WeakPolarHBondContact CD-O 3.38Å; P269-I405 HydrophobicContact CG-CB 4.4Å; P269-I405 WeakPolarHBondContact CG-O 3.2Å
270	W	73.2	Confident	73.1	Confident	29 Å²	29	45.4 Å²	45.4	11%	0.11	23%	0.231	C	C	.	.			trans	-73.7	150.4	171.3	-64.2	-22.8	0	0	0	111.1	W176 H1079	W176-W270 HydrophobicContact CE3-CE3 4.11Å; W176-W270 HydrophobicContact CE3-CZ3 4.28Å; W176-W270 HydrophobicContact CH2-CB 4.17Å; W176-W270 AromaticContact CH2-CE3 3.87Å; W176-W270 HydrophobicContact CH2-CE3 3.87Å; W176-W270 AromaticContact CZ3-CE3 3.53Å; W176-W270 HydrophobicContact CZ3-CE3 3.53Å; W176-W270 HydrophobicContact CZ3-CZ3 4.01Å; W270-H1079 AromaticContact CD2-CE1 3.49Å; W270-H1079 VanDerWaalsContact CD2-CE1 3.49Å; W270-H1079 AromaticContact CD2-ND1 3.51Å; W270-H1079 AromaticContact CE2-ND1 3.82Å; W270-H1079 AromaticContact CE3-CD2 3.49Å; W270-H1079 VanDerWaalsContact CE3-CD2 3.49Å; W270-H1079 AromaticContact CE3-CE1 3.07Å; W270-H1079 AromaticContact CE3-CG 3.66Å; W270-H1079 AromaticContact CE3-ND1 3.42Å; W270-H1079 AromaticContact CE3-NE2 3.14Å; W270-H1079 HydrophobicContact CH2-CB 3.73Å; W270-H1079 AromaticContact CH2-CD2 3.48Å; W270-H1079 VanDerWaalsContact CH2-CD2 3.48Å; W270-H1079 WeakPolarHBondContact CH2-CD2 3.47Å; W270-H1079 AromaticContact CH2-CG 3.39Å; W270-H1079 AromaticContact CH2-ND1 3.94Å; W270-H1079 HydrophobicContact CZ2-CB 3.93Å; W270-H1079 AromaticContact CZ2-CG 3.78Å; W270-H1079 HydrophobicContact CZ3-CB 4.19Å; W270-H1079 AromaticContact CZ3-CD2 3.02Å; W270-H1079 WeakPolarHBondContact CZ3-CD2 3.33Å; W270-H1079 AromaticContact CZ3-CE1 3.54Å; W270-H1079 AromaticContact CZ3-CG 3.35Å; W270-H1079 AromaticContact CZ3-ND1 3.66Å; W270-H1079 AromaticContact CZ3-NE2 3.19Å; W270-H1079 WeakPolarHBondContact CZ3-NE2 3.34Å
271	G	89.6	Confident	75.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.			trans	-67	152.3	166.3	0	0	0	0	0	111.1	G241 L242 I243 A245 A273 P274	G241-G271 VanDerWaalsContact O-CA 3.31Å; G241-G271 WeakPolarHBondContact O-CA 3.5Å; L242-G271 VanDerWaalsContact O-CA 3.32Å; L242-G271 WeakPolarHBondContact O-CA 3.46Å; I243-G271 CarbonylContact O-C 3.38Å; I243-G271 WeakPolarHBondContact O-CA 3.44Å; A245-G271 PolarHBondContact O-N 3.2Å; G271-A273 VanDerWaalsContact C-N 3.34Å; G271-A273 PolarHBondContact O-N 3.04Å; G271-P274 WeakPolarHBondContact O-CD 3.28Å
272	F	94.1	Very high	77	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.018	17%	0.166	C	C	.	.	S	Bend	trans	-62.7	-39	179.3	-81.1	-101	0	0	0	113	P166 W167 L170 A172 W176 L242 I243 P274 I425 V429 L432 L513	P166-F272 HydrophobicContact CB-CE2 4.17Å; P166-F272 HydrophobicContact CB-CZ 4.11Å; W167-F272 HydrophobicContact CB-CD2 4.41Å; W167-F272 HydrophobicContact CB-CE1 4.31Å; W167-F272 HydrophobicContact CB-CE2 4.02Å; W167-F272 HydrophobicContact CB-CZ 3.98Å; W167-F272 VanDerWaalsContact N-CZ 3.34Å; L170-F272 HydrophobicContact CB-CE1 4Å; L170-F272 HydrophobicContact CB-CZ 4.28Å; L170-F272 HydrophobicContact CD1-CE1 3.95Å; L170-F272 HydrophobicContact CD1-CZ 3.79Å; L170-F272 HydrophobicContact CG-CZ 4.38Å; A172-F272 HydrophobicContact CB-CD1 3.83Å; A172-F272 HydrophobicContact CB-CE1 3.98Å; W176-F272 PolarHBondContact NE1-O 2.79Å; L242-F272 PolarHBondContact O-N 2.96Å; I243-F272 PolarHBondContact O-N 3.25Å; I243-F272 VanDerWaalsContact O-N 3.11Å; F272-P274 VanDerWaalsContact C-CD 3.47Å; F272-P274 WeakPolarHBondContact O-CD 3.46Å; F272-I425 HydrophobicContact CE2-CB 4.39Å; F272-I425 HydrophobicContact CE2-CG1 4.36Å; F272-I425 HydrophobicContact CE2-CG2 3.77Å; F272-I425 HydrophobicContact CZ-CG2 3.86Å; F272-V429 HydrophobicContact CD1-CG2 3.82Å; F272-V429 HydrophobicContact CE1-CG2 3.75Å; F272-V429 HydrophobicContact CZ-CG2 4.44Å; F272-L432 HydrophobicContact CB-CD1 4.2Å; F272-L432 HydrophobicContact CD1-CD1 4.22Å; F272-L432 WeakPolarHBondContact O-CD2 3.5Å; F272-L513 HydrophobicContact CD1-CD2 4.5Å
273	A	95.6	Very high	79	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.			trans	-122.9	67.7	-175.8	0	0	0	0	0	110.7	C181 I243 A244 G271 R275 A276 L432	C181-A273 CarbonylContact O-C 3.53Å; C181-A273 WeakPolarHBondContact O-CA 3.37Å; I243-A273 CarbonylContact O-C 3.52Å; I243-A273 WeakPolarHBondContact O-CA 3.37Å; I243-A273 PolarHBondContact O-N 2.99Å; A244-A273 WeakPolarHBondContact CB-O 3.05Å; G271-A273 VanDerWaalsContact C-N 3.34Å; G271-A273 PolarHBondContact O-N 3.04Å; A273-R275 PolarHBondContact O-N 3.33Å; A273-R275 VanDerWaalsContact O-N 3.08Å; A273-A276 HydrophobicContact CB-CB 4.1Å; A273-A276 WeakPolarHBondContact O-CB 3.19Å; A273-A276 PolarHBondContact O-N 3.3Å; A273-A276 VanDerWaalsContact O-N 3.1Å; A273-L432 HydrophobicContact CB-CD2 4.41Å
274	P	92.1	Very high	80.8	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.9	-171.7	27.9	-36.7	0	0	0	114.4	C181 Q246 G271 F272 C1078	C181-P274 HydrophobicContact CB-CG 4.42Å; C181-P274 WeakPolarHBondContact O-CD 3.41Å; Q246-P274 HydrophobicContact CB-CB 4.24Å; G271-P274 WeakPolarHBondContact O-CD 3.28Å; F272-P274 VanDerWaalsContact C-CD 3.47Å; F272-P274 WeakPolarHBondContact O-CD 3.46Å; P274-C1078 HydrophobicContact CG-CB 4.33Å
275	R	93	Very high	82.3	Confident	66 Å²	66	16.1 Å²	16.1	25%	0.249	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	17.7	179.8	-59.5	-174.8	170.4	156.2	-2.7	113.3	C181 G182 N183 A273 Y1077 C1078 S1080	C181-R275 HydrophobicContact CB-CB 3.92Å; C181-R275 HydrophobicContact CB-CG 3.91Å; C181-R275 WeakPolarHBondContact O-CA 3.48Å; C181-R275 PolarHBondContact O-N 3.3Å; G182-R275 CarbonylContact C-O 3.59Å; N183-R275 WeakPolarHBondContact CA-O 3.49Å; N183-R275 WeakPolarHBondContact OD1-CB 3.37Å; N183-R275 WeakPolarHBondContact OD1-CD 3.44Å; A273-R275 PolarHBondContact O-N 3.33Å; A273-R275 VanDerWaalsContact O-N 3.08Å; R275-Y1077 PolarHBondContact NH1-O 3.36Å; R275-Y1077 PolarHBondContact NH2-O 3.39Å; R275-C1078 PolarHBondContact NE-O 3.16Å; R275-C1078 PolarHBondContact NH2-O 3.22Å; R275-S1080 PolarHBondContact NH2-O 2.93Å
276	A	96.8	Very high	83.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-65.1	149.2	170.1	0	0	0	0	0	111.5	G182 V187 A273 L278	G182-A276 VanDerWaalsContact O-CA 3.3Å; G182-A276 WeakPolarHBondContact O-CA 3.4Å; V187-A276 HydrophobicContact CG2-CB 3.85Å; A273-A276 HydrophobicContact CB-CB 4.1Å; A273-A276 WeakPolarHBondContact O-CB 3.19Å; A273-A276 PolarHBondContact O-N 3.3Å; A273-A276 VanDerWaalsContact O-N 3.1Å; A276-L278 HydrophobicContact CB-CD2 4.01Å; A276-L278 PolarHBondContact O-N 2.93Å
277	D	98.1	Very high	84.5	Confident	32 Å²	32	18 Å²	18	17%	0.171	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	101.4	176.8	-70.2	-0.8	0	0	0	107.9	V185 R186 V187 N206 I208 F279	V185-D277 PolarHBondContact O-N 3.47Å; R186-D277 CarbonylContact C-O 3.53Å; R186-D277 WeakPolarHBondContact CA-O 3.49Å; R186-D277 HydrophobicContact CG-CB 4.14Å; V187-D277 PolarHBondContact N-O 3.49Å; N206-D277 PolarHBondContact ND2-OD1 2.81Å; I208-D277 HydrophobicContact CD1-CB 4.24Å; I208-D277 HydrophobicContact CG1-CB 3.7Å; D277-F279 HydrophobicContact CB-CE2 4.33Å; D277-F279 WeakPolarHBondContact O-CD2 3.39Å
278	L	97.2	Very high	85.3	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.3	-171.2	-50.1	178.5	0	0	0	111.6	V187 I189 N206 I207 I208 T240 A244 A276 I280	V187-L278 HydrophobicContact CB-CD2 4.32Å; I189-L278 HydrophobicContact CD1-CB 4.32Å; I189-L278 HydrophobicContact CD1-CD2 4.06Å; N206-L278 PolarHBondContact O-N 2.55Å; I207-L278 HydrophobicContact CG1-CD1 4.31Å; I208-L278 PolarHBondContact N-O 2.82Å; T240-L278 HydrophobicContact CG2-CD1 4.05Å; A244-L278 HydrophobicContact CB-CD1 3.67Å; A244-L278 HydrophobicContact CB-CD2 3.76Å; A244-L278 HydrophobicContact CB-CG 4.23Å; A276-L278 HydrophobicContact CB-CD2 4.01Å; A276-L278 PolarHBondContact O-N 2.93Å; L278-I280 HydrophobicContact CB-CD1 4.3Å
279	F	96.2	Very high	86.6	Confident	10 Å²	10	19.1 Å²	19.1	4%	0.044	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.9	171	-67.2	-104.1	0	0	0	107.9	R186 V187 G188 I189 I208 E209 D277 F281 R305 L307	R186-F279 HydrophobicContact CB-CD2 4.3Å; R186-F279 HydrophobicContact CB-CE2 3.81Å; R186-F279 HydrophobicContact CG-CE2 3.78Å; R186-F279 HydrophobicContact CG-CZ 4.38Å; V187-F279 PolarHBondContact O-N 2.81Å; G188-F279 WeakPolarHBondContact CA-O 3.37Å; I189-F279 PolarHBondContact N-O 3.03Å; I208-F279 HydrophobicContact CB-CD2 4.44Å; I208-F279 HydrophobicContact CB-CE1 4.17Å; I208-F279 HydrophobicContact CB-CE2 3.98Å; I208-F279 HydrophobicContact CB-CZ 3.84Å; I208-F279 HydrophobicContact CG1-CE2 4.03Å; I208-F279 HydrophobicContact CG1-CZ 4.23Å; I208-F279 HydrophobicContact CG2-CE1 3.76Å; I208-F279 HydrophobicContact CG2-CE2 4.16Å; I208-F279 HydrophobicContact CG2-CZ 3.51Å; E209-F279 HydrophobicContact CB-CD1 3.91Å; E209-F279 HydrophobicContact CB-CE1 4.27Å; E209-F279 HydrophobicContact CG-CD1 4.43Å; E209-F279 HydrophobicContact CG-CE1 4.31Å; D277-F279 HydrophobicContact CB-CE2 4.33Å; D277-F279 WeakPolarHBondContact O-CD2 3.39Å; F279-F281 HydrophobicContact CB-CD2 4.34Å; F279-F281 HydrophobicContact CB-CE2 3.57Å; F279-F281 HydrophobicContact CB-CZ 4.29Å; F279-F281 WeakPolarHBondContact O-CD2 3.38Å; F279-R305 HydrophobicContact CD1-CB 4.41Å; F279-R305 HydrophobicContact CD1-CG 4.26Å; F279-R305 HydrophobicContact CE1-CB 4.07Å; F279-R305 HydrophobicContact CE1-CG 3.96Å; F279-L307 HydrophobicContact CB-CD1 4.35Å; F279-L307 HydrophobicContact CB-CD2 4.14Å; F279-L307 HydrophobicContact CD1-CD2 4.01Å; F279-L307 HydrophobicContact CD2-CD2 3.46Å; F279-L307 VanDerWaalsContact CD2-CD2 3.46Å; F279-L307 HydrophobicContact CE1-CD2 4.29Å; F279-L307 HydrophobicContact CE2-CD2 3.79Å; F279-L307 HydrophobicContact CG-CD2 3.59Å; F279-L307 HydrophobicContact CZ-CD2 4.19Å
280	I	94.8	Very high	87.6	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122	-176.1	-51.8	-55.3	0	0	0	109.2	I189 L194 I207 E209 R210 T211 A229 T240 L278	I189-I280 HydrophobicContact CB-CD1 4.26Å; I189-I280 HydrophobicContact CD1-CD1 3.9Å; L194-I280 HydrophobicContact CB-CD1 4.25Å; L194-I280 HydrophobicContact CB-CG1 4.02Å; L194-I280 HydrophobicContact CB-CG2 3.84Å; L194-I280 HydrophobicContact CD2-CD1 3.89Å; L194-I280 HydrophobicContact CD2-CG1 3.86Å; I207-I280 HydrophobicContact CG2-CG1 4.39Å; E209-I280 PolarHBondContact O-N 3.32Å; R210-I280 HydrophobicContact CG-CB 4.22Å; R210-I280 HydrophobicContact CG-CG1 4.32Å; T211-I280 PolarHBondContact N-O 2.97Å; T211-I280 PolarHBondContact OG1-O 2.82Å; T211-I280 VanDerWaalsContact OG1-O 3.11Å; A229-I280 HydrophobicContact CB-CG2 4.42Å; T240-I280 HydrophobicContact CG2-CD1 4.36Å; L278-I280 HydrophobicContact CB-CD1 4.3Å
281	F	92.1	Very high	88.1	Confident	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	101.1	176.9	-64.5	-97.4	0	0	0	108.4	I189 F190 D191 T211 W213 F279 V283 A298 Y301 A302 L307	I189-F281 PolarHBondContact O-N 3.44Å; F190-F281 WeakPolarHBondContact CA-O 3.4Å; F190-F281 HydrophobicContact CD1-CB 4.04Å; F190-F281 HydrophobicContact CD1-CG 4.45Å; F190-F281 HydrophobicContact CD2-CB 3.85Å; F190-F281 AromaticContact CD2-CD2 3.75Å; F190-F281 HydrophobicContact CD2-CD2 3.75Å; F190-F281 AromaticContact CD2-CG 3.9Å; F190-F281 HydrophobicContact CD2-CG 3.9Å; F190-F281 HydrophobicContact CE1-CB 4.19Å; F190-F281 HydrophobicContact CE1-CD1 4.21Å; F190-F281 HydrophobicContact CE1-CG 4.16Å; F190-F281 HydrophobicContact CE2-CB 3.99Å; F190-F281 HydrophobicContact CE2-CD1 4.06Å; F190-F281 AromaticContact CE2-CD2 3.33Å; F190-F281 HydrophobicContact CE2-CD2 3.33Å; F190-F281 HydrophobicContact CE2-CE1 4.37Å; F190-F281 AromaticContact CE2-CE2 3.72Å; F190-F281 HydrophobicContact CE2-CE2 3.72Å; F190-F281 AromaticContact CE2-CG 3.53Å; F190-F281 HydrophobicContact CE2-CG 3.53Å; F190-F281 HydrophobicContact CE2-CZ 4.23Å; F190-F281 HydrophobicContact CG-CB 3.87Å; F190-F281 HydrophobicContact CG-CG 4.33Å; F190-F281 HydrophobicContact CZ-CB 4.14Å; F190-F281 AromaticContact CZ-CD1 3.74Å; F190-F281 HydrophobicContact CZ-CD1 3.74Å; F190-F281 AromaticContact CZ-CD2 3.9Å; F190-F281 HydrophobicContact CZ-CD2 3.9Å; F190-F281 HydrophobicContact CZ-CE1 4.04Å; F190-F281 HydrophobicContact CZ-CE2 4.2Å; F190-F281 AromaticContact CZ-CG 3.67Å; F190-F281 HydrophobicContact CZ-CG 3.67Å; F190-F281 HydrophobicContact CZ-CZ 4.27Å; D191-F281 PolarHBondContact N-O 3.19Å; T211-F281 WeakPolarHBondContact OG1-CD1 3.34Å; W213-F281 AromaticContact NE1-CD1 3.47Å; F279-F281 HydrophobicContact CB-CD2 4.34Å; F279-F281 HydrophobicContact CB-CE2 3.57Å; F279-F281 HydrophobicContact CB-CZ 4.29Å; F279-F281 WeakPolarHBondContact O-CD2 3.38Å; F281-V283 HydrophobicContact CB-CG1 4.33Å; F281-V283 PolarHBondContact O-N 3Å; F281-A298 HydrophobicContact CD1-CB 3.74Å; F281-A298 HydrophobicContact CE1-CB 4.31Å; F281-A298 WeakPolarHBondContact CE1-O 3.19Å; F281-Y301 AromaticContact CE1-CD1 3.66Å; F281-Y301 HydrophobicContact CE1-CD1 3.66Å; F281-Y301 HydrophobicContact CE1-CG 4.39Å; F281-Y301 AromaticContact CZ-CD1 3.95Å; F281-Y301 HydrophobicContact CZ-CD1 3.95Å; F281-A302 HydrophobicContact CZ-CB 4.07Å; F281-L307 HydrophobicContact CE2-CD1 3.7Å; F281-L307 HydrophobicContact CZ-CD1 4Å
282	R	90.3	Very high	87.9	Confident	13 Å²	13	19.5 Å²	19.5	5%	0.049	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	108.1	169	175.6	172.8	157.9	123.4	7.6	108.1	D191 T211 D212 W213 T214 A229 L230 D286	D191-R282 WeakPolarHBondContact O-CA 3.48Å; T211-R282 PolarHBondContact O-N 2.7Å; D212-R282 HydrophobicContact CB-CB 4.44Å; D212-R282 IonicContact OD1-NE 3.29Å; D212-R282 WeakPolarHBondContact OD2-CD 3.29Å; D212-R282 IonicContact OD2-NE 3.59Å; D212-R282 PolarHBondContact OD2-NE 3.27Å; W213-R282 PolarHBondContact N-O 3.07Å; T214-R282 HydrophobicContact CG2-CG 4.1Å; T214-R282 PolarHBondContact OG1-NE 2.86Å; A229-R282 HydrophobicContact CB-CB 3.89Å; L230-R282 PolarHBondContact O-NH1 2.83Å; R282-D286 IonicContact CZ-OD1 3.1Å; R282-D286 IonicContact NH1-OD1 3.07Å; R282-D286 PolarHBondContact NH1-OD1 3.31Å; R282-D286 IonicContact NH2-OD1 2.88Å; R282-D286 PolarHBondContact NH2-OD1 2.71Å; R282-D286 IonicContact NH2-OD2 2.66Å
283	V	86.6	Confident	87.6	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.			trans	-119.1	-0.8	-179.4	-64.7	0	0	0	0	112.1	F190 D191 W213 F281 S290 F295 A298	F190-V283 HydrophobicContact CB-CG2 4.18Å; F190-V283 HydrophobicContact CD1-CG1 4.01Å; F190-V283 HydrophobicContact CD1-CG2 4.4Å; D191-V283 PolarHBondContact O-N 2.99Å; W213-V283 HydrophobicContact CB-CG1 4.4Å; W213-V283 HydrophobicContact CG-CG1 4.45Å; F281-V283 HydrophobicContact CB-CG1 4.33Å; F281-V283 PolarHBondContact O-N 3Å; V283-S290 WeakPolarHBondContact O-CB 3.39Å; V283-S290 PolarHBondContact O-OG 2.92Å; V283-F295 HydrophobicContact CB-CE1 4.29Å; V283-F295 HydrophobicContact CB-CZ 4.37Å; V283-F295 HydrophobicContact CG2-CD1 4.3Å; V283-F295 HydrophobicContact CG2-CE1 3.6Å; V283-F295 HydrophobicContact CG2-CZ 3.75Å; V283-A298 HydrophobicContact CG1-CB 4.01Å
284	F	83.6	Confident	87.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-119	137.9	172.1	-71.5	-88.2	0	0	0	110.9	R119 D191 T192 I289 S290 F295 I314	R119-F284 HydrophobicContact CB-CE1 4.49Å; D191-F284 PolarHBondContact O-N 3.22Å; T192-F284 HydrophobicContact CG2-CB 3.89Å; F284-I289 CarbonylContact C-O 3.55Å; F284-I289 WeakPolarHBondContact CA-O 3.41Å; F284-S290 VanDerWaalsContact CE1-CB 3.43Å; F284-F295 HydrophobicContact CE2-CE1 4.49Å; F284-F295 HydrophobicContact CE2-CE2 4.38Å; F284-F295 AromaticContact CE2-CZ 3.62Å; F284-F295 HydrophobicContact CE2-CZ 3.62Å; F284-F295 HydrophobicContact CZ-CE2 4.16Å; F284-F295 AromaticContact CZ-CZ 3.72Å; F284-F295 HydrophobicContact CZ-CZ 3.72Å; F284-I314 HydrophobicContact CD2-CD1 4.29Å; F284-I314 HydrophobicContact CE2-CD1 3.36Å; F284-I314 HydrophobicContact CE2-CG1 3.53Å; F284-I314 HydrophobicContact CZ-CB 4.46Å; F284-I314 HydrophobicContact CZ-CD1 4Å; F284-I314 HydrophobicContact CZ-CG1 3.69Å; F284-I314 HydrophobicContact CZ-CG2 3.98Å
285	T	80.9	Confident	87	Confident	25 Å²	25	21.9 Å²	21.9	15%	0.153	11%	0.108	C	C	.	.			trans	-67.9	173.2	169.9	67	0	0	0	0	110.9	T214 T287 Q288 I289 W294	T214-T285 HydrophobicContact CG2-CG2 4.48Å; T285-T287 PolarHBondContact O-N 3.44Å; T285-T287 PolarHBondContact OG1-N 2.86Å; T285-T287 PolarHBondContact OG1-OG1 3.27Å; T285-Q288 WeakPolarHBondContact O-CA 3.42Å; T285-Q288 PolarHBondContact O-N 3.39Å; T285-Q288 PolarHBondContact OG1-N 3.33Å; T285-I289 HydrophobicContact CG2-CB 4.32Å; T285-I289 PolarHBondContact N-O 3.2Å; T285-I289 WeakPolarHBondContact OG1-CB 3.39Å; T285-I289 PolarHBondContact OG1-N 3.49Å; T285-I289 PolarHBondContact OG1-O 3.23Å; T285-W294 HydrophobicContact CG2-CH2 3.98Å; T285-W294 HydrophobicContact CG2-CZ3 4.05Å
286	D	76.9	Confident	86.8	Confident	60 Å²	60	18.9 Å²	18.9	32%	0.321	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.5	176	-58	-19.6	0	0	0	112	R232 R282 Q288	R232-D286 WeakPolarHBondContact CB-OD1 3.31Å; R232-D286 WeakPolarHBondContact CD-OD2 3.41Å; R232-D286 IonicContact NH1-OD2 2.73Å; R232-D286 PolarHBondContact NH1-OD2 3.47Å; R282-D286 IonicContact CZ-OD1 3.1Å; R282-D286 IonicContact NH1-OD1 3.07Å; R282-D286 PolarHBondContact NH1-OD1 3.31Å; R282-D286 IonicContact NH2-OD1 2.88Å; R282-D286 PolarHBondContact NH2-OD1 2.71Å; R282-D286 IonicContact NH2-OD2 2.66Å; D286-Q288 VanDerWaalsContact C-N 3.31Å
287	T	71.1	Confident	86.3	Confident	94 Å²	94	19.2 Å²	19.2	58%	0.577	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	11.3	173.5	61.6	0	0	0	0	113.1	T285 I289	T285-T287 PolarHBondContact O-N 3.44Å; T285-T287 PolarHBondContact OG1-N 2.86Å; T285-T287 PolarHBondContact OG1-OG1 3.27Å; T287-I289 VanDerWaalsContact C-N 3.29Å; T287-I289 PolarHBondContact O-N 2.8Å; T287-I289 WeakPolarHBondContact OG1-CD1 3.24Å
288	Q	76.3	Confident	85.9	Confident	13 Å²	13	17.7 Å²	17.7	6%	0.061	9%	0.09	C	C	.	.			trans	59.6	33.4	179.2	-58.5	-179.8	82.9	0	0	115.1	R119 L121 H233 T285 D286	R119-Q288 HydrophobicContact CB-CB 4.44Å; R119-Q288 PolarHBondContact N-O 3.13Å; R119-Q288 VanDerWaalsContact NE-OE1 3.1Å; R119-Q288 WeakPolarHBondContact O-CB 3.45Å; R119-Q288 PolarHBondContact O-NE2 3.07Å; R119-Q288 PolarHBondContact O-OE1 2.77Å; R119-Q288 VanDerWaalsContact O-OE1 3.13Å; L121-Q288 VanDerWaalsContact CD1-OE1 3.25Å; H233-Q288 PolarHBondContact CE1-NE2 3.13Å; T285-Q288 WeakPolarHBondContact O-CA 3.42Å; T285-Q288 PolarHBondContact O-N 3.39Å; T285-Q288 PolarHBondContact OG1-N 3.33Å; D286-Q288 VanDerWaalsContact C-N 3.31Å
289	I	79.1	Confident	85.7	Confident	39 Å²	39	17.7 Å²	17.7	20%	0.2	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.8	169.5	-60.4	172.1	0	0	0	108.5	Q116 I117 N118 F284 T285 T287 Y291	Q116-I289 HydrophobicContact CG-CG2 3.52Å; I117-I289 CarbonylContact O-C 3.54Å; I117-I289 WeakPolarHBondContact O-CA 3.44Å; N118-I289 HydrophobicContact CB-CG1 4.49Å; F284-I289 CarbonylContact C-O 3.55Å; F284-I289 WeakPolarHBondContact CA-O 3.41Å; T285-I289 HydrophobicContact CG2-CB 4.32Å; T285-I289 PolarHBondContact N-O 3.2Å; T285-I289 WeakPolarHBondContact OG1-CB 3.39Å; T285-I289 PolarHBondContact OG1-N 3.49Å; T285-I289 PolarHBondContact OG1-O 3.23Å; T287-I289 VanDerWaalsContact C-N 3.29Å; T287-I289 PolarHBondContact O-N 2.8Å; T287-I289 WeakPolarHBondContact OG1-CD1 3.24Å; I289-Y291 HydrophobicContact CG2-CE2 4.27Å
290	S	81.8	Confident	85.4	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	168.8	173.1	-168.5	0	0	0	0	110.5	Q116 I117 V283 F284 F295	Q116-S290 CarbonylContact C-O 3.54Å; Q116-S290 WeakPolarHBondContact CA-O 3.22Å; Q116-S290 WeakPolarHBondContact CG-O 3.43Å; I117-S290 PolarHBondContact N-O 3.33Å; I117-S290 PolarHBondContact O-N 3.38Å; V283-S290 WeakPolarHBondContact O-CB 3.39Å; V283-S290 PolarHBondContact O-OG 2.92Å; F284-S290 VanDerWaalsContact CE1-CB 3.43Å; S290-F295 WeakPolarHBondContact OG-CE2 3.42Å
291	Y	84.1	Confident	85.2	Confident	52 Å²	52	18 Å²	18	20%	0.204	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.8	171.2	-62.3	-98.9	0	0	0	111.1	V31 Q114 K115 Q116 I289 S293 W294 F295	V31-Y291 HydrophobicContact CG2-CD1 3.95Å; V31-Y291 HydrophobicContact CG2-CE1 3.64Å; Q114-Y291 HydrophobicContact CG-CD1 4.28Å; Q114-Y291 VanDerWaalsContact NE2-CB 3.3Å; K115-Y291 CarbonylContact O-C 3.59Å; K115-Y291 WeakPolarHBondContact O-CA 3.33Å; K115-Y291 WeakPolarHBondContact O-CB 3.27Å; Q116-Y291 HydrophobicContact CB-CD1 3.54Å; Q116-Y291 HydrophobicContact CB-CE1 3.44Å; Q116-Y291 VanDerWaalsContact CB-CE1 3.44Å; Q116-Y291 HydrophobicContact CB-CG 4.32Å; Q116-Y291 HydrophobicContact CG-CD1 4.16Å; Q116-Y291 HydrophobicContact CG-CE1 3.79Å; Q116-Y291 VanDerWaalsContact OE1-CZ 3.26Å; Q116-Y291 PolarHBondContact OE1-OH 2.66Å; I289-Y291 HydrophobicContact CG2-CE2 4.27Å; Y291-S293 VanDerWaalsContact C-N 3.28Å; Y291-S293 PolarHBondContact O-N 3.44Å; Y291-W294 AromaticContact CD2-CD2 3.66Å; Y291-W294 HydrophobicContact CD2-CD2 3.66Å; Y291-W294 AromaticContact CD2-CE2 3.35Å; Y291-W294 AromaticContact CD2-CE3 3.77Å; Y291-W294 HydrophobicContact CD2-CE3 3.77Å; Y291-W294 AromaticContact CD2-CH2 3.37Å; Y291-W294 HydrophobicContact CD2-CH2 3.37Å; Y291-W294 AromaticContact CD2-CZ2 3.22Å; Y291-W294 HydrophobicContact CD2-CZ2 3.22Å; Y291-W294 AromaticContact CD2-CZ3 3.62Å; Y291-W294 HydrophobicContact CD2-CZ3 3.62Å; Y291-W294 AromaticContact CD2-NE1 4Å; Y291-W294 AromaticContact CE2-CH2 3.43Å; Y291-W294 HydrophobicContact CE2-CH2 3.43Å; Y291-W294 VanDerWaalsContact CE2-CH2 3.43Å; Y291-W294 AromaticContact CE2-CZ2 3.42Å; Y291-W294 HydrophobicContact CE2-CZ2 3.42Å; Y291-W294 VanDerWaalsContact CE2-CZ2 3.42Å; Y291-W294 HydrophobicContact CE2-CZ3 4.07Å; Y291-W294 HydrophobicContact CG-CD2 4.32Å; Y291-W294 HydrophobicContact CG-CZ2 4.38Å; Y291-W294 WeakPolarHBondContact O-CB 3.27Å; Y291-W294 PolarHBondContact O-N 3.03Å; Y291-F295 PolarHBondContact O-N 3.45Å
292	T	85.2	Confident	85.2	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-51.7	-48.4	174.9	-57.7	0	0	0	0	111.3	I36 K115 W294 F295 L296 D321 P323 F324	I36-T292 HydrophobicContact CD1-CG2 3.63Å; K115-T292 WeakPolarHBondContact CB-OG1 3.4Å; K115-T292 PolarHBondContact O-N 3.12Å; K115-T292 PolarHBondContact O-OG1 2.93Å; T292-W294 PolarHBondContact O-N 3.06Å; T292-F295 WeakPolarHBondContact O-CB 3.4Å; T292-F295 PolarHBondContact O-N 2.87Å; T292-F295 VanDerWaalsContact O-N 3.09Å; T292-L296 HydrophobicContact CG2-CD1 3.98Å; T292-L296 HydrophobicContact CG2-CG 4.09Å; T292-L296 WeakPolarHBondContact O-CG 3.28Å; T292-L296 PolarHBondContact O-N 3.48Å; T292-D321 WeakPolarHBondContact CB-OD2 3.25Å; T292-D321 WeakPolarHBondContact CG2-OD1 3.48Å; T292-D321 WeakPolarHBondContact CG2-OD2 3.44Å; T292-D321 PolarHBondContact OG1-OD2 3.35Å; T292-P323 HydrophobicContact CG2-CB 4.32Å; T292-F324 HydrophobicContact CG2-CB 4.31Å
293	S	87.2	Confident	85.3	Confident	7 Å²	7	18.7 Å²	18.7	5%	0.049	10%	0.097	C	C	.	.	H	α-helix	trans	-56.9	-34.4	180	67.7	0	0	0	0	113.7	Q114 Y291 L296 D297	Q114-S293 VanDerWaalsContact NE2-CB 3.34Å; Q114-S293 PolarHBondContact NE2-OG 2.8Å; Q114-S293 VanDerWaalsContact OE1-CB 3.32Å; Y291-S293 VanDerWaalsContact C-N 3.28Å; Y291-S293 PolarHBondContact O-N 3.44Å; S293-L296 PolarHBondContact O-N 3.29Å; S293-D297 PolarHBondContact O-N 3.38Å
294	W	87	Confident	85.5	Confident	43 Å²	43	20.6 Å²	20.6	16%	0.163	11%	0.11	C	C	.	.	H	α-helix	trans	-66.4	-42.8	178.7	-61.9	-9.2	0	0	0	110.9	W213 T214 T285 Y291 T292 A298	W213-W294 HydrophobicContact CB-CB 4.14Å; W213-W294 HydrophobicContact CB-CG 4.47Å; W213-W294 VanDerWaalsContact O-CD2 3.3Å; W213-W294 VanDerWaalsContact O-CE2 3.26Å; W213-W294 PolarHBondContact O-NE1 3.43Å; T214-W294 VanDerWaalsContact CA-CH2 3.47Å; T214-W294 HydrophobicContact CG2-CE3 3.84Å; T214-W294 HydrophobicContact CG2-CH2 4.25Å; T214-W294 HydrophobicContact CG2-CZ3 3.57Å; T285-W294 HydrophobicContact CG2-CH2 3.98Å; T285-W294 HydrophobicContact CG2-CZ3 4.05Å; Y291-W294 AromaticContact CD2-CD2 3.66Å; Y291-W294 HydrophobicContact CD2-CD2 3.66Å; Y291-W294 AromaticContact CD2-CE2 3.35Å; Y291-W294 AromaticContact CD2-CE3 3.77Å; Y291-W294 HydrophobicContact CD2-CE3 3.77Å; Y291-W294 AromaticContact CD2-CH2 3.37Å; Y291-W294 HydrophobicContact CD2-CH2 3.37Å; Y291-W294 AromaticContact CD2-CZ2 3.22Å; Y291-W294 HydrophobicContact CD2-CZ2 3.22Å; Y291-W294 AromaticContact CD2-CZ3 3.62Å; Y291-W294 HydrophobicContact CD2-CZ3 3.62Å; Y291-W294 AromaticContact CD2-NE1 4Å; Y291-W294 AromaticContact CE2-CH2 3.43Å; Y291-W294 HydrophobicContact CE2-CH2 3.43Å; Y291-W294 VanDerWaalsContact CE2-CH2 3.43Å; Y291-W294 AromaticContact CE2-CZ2 3.42Å; Y291-W294 HydrophobicContact CE2-CZ2 3.42Å; Y291-W294 VanDerWaalsContact CE2-CZ2 3.42Å; Y291-W294 HydrophobicContact CE2-CZ3 4.07Å; Y291-W294 HydrophobicContact CG-CD2 4.32Å; Y291-W294 HydrophobicContact CG-CZ2 4.38Å; Y291-W294 WeakPolarHBondContact O-CB 3.27Å; Y291-W294 PolarHBondContact O-N 3.03Å; T292-W294 PolarHBondContact O-N 3.06Å; W294-A298 WeakPolarHBondContact O-CB 3.42Å; W294-A298 PolarHBondContact O-N 2.9Å
295	F	89.2	Confident	85.8	Confident	4 Å²	4	22.8 Å²	22.8	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-46.9	171.5	-78	-77.7	0	0	0	111.8	F190 V283 F284 S290 Y291 T292 D297 A298 F299 L312 I314 F324	F190-F295 HydrophobicContact CD1-CD1 4.07Å; F190-F295 HydrophobicContact CD1-CE1 4.31Å; V283-F295 HydrophobicContact CB-CE1 4.29Å; V283-F295 HydrophobicContact CB-CZ 4.37Å; V283-F295 HydrophobicContact CG2-CD1 4.3Å; V283-F295 HydrophobicContact CG2-CE1 3.6Å; V283-F295 HydrophobicContact CG2-CZ 3.75Å; F284-F295 HydrophobicContact CE2-CE1 4.49Å; F284-F295 HydrophobicContact CE2-CE2 4.38Å; F284-F295 AromaticContact CE2-CZ 3.62Å; F284-F295 HydrophobicContact CE2-CZ 3.62Å; F284-F295 HydrophobicContact CZ-CE2 4.16Å; F284-F295 AromaticContact CZ-CZ 3.72Å; F284-F295 HydrophobicContact CZ-CZ 3.72Å; S290-F295 WeakPolarHBondContact OG-CE2 3.42Å; Y291-F295 PolarHBondContact O-N 3.45Å; T292-F295 WeakPolarHBondContact O-CB 3.4Å; T292-F295 PolarHBondContact O-N 2.87Å; T292-F295 VanDerWaalsContact O-N 3.09Å; F295-D297 PolarHBondContact O-N 3.38Å; F295-A298 PolarHBondContact O-N 3.26Å; F295-F299 HydrophobicContact CB-CD2 4.39Å; F295-F299 HydrophobicContact CB-CE2 4.1Å; F295-F299 HydrophobicContact CB-CZ 4.47Å; F295-F299 HydrophobicContact CD1-CE1 4.48Å; F295-F299 HydrophobicContact CD1-CE2 4.46Å; F295-F299 HydrophobicContact CD1-CZ 4.03Å; F295-F299 VanDerWaalsContact O-CB 3.25Å; F295-F299 WeakPolarHBondContact O-CB 3.45Å; F295-F299 VanDerWaalsContact O-CD2 3.27Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 WeakPolarHBondContact O-CG 3.49Å; F295-F299 PolarHBondContact O-N 3.04Å; F295-L312 HydrophobicContact CD1-CD1 4.33Å; F295-L312 HydrophobicContact CE1-CD1 3.67Å; F295-I314 HydrophobicContact CE1-CD1 4.5Å; F295-I314 HydrophobicContact CZ-CD1 4.4Å; F295-F324 HydrophobicContact CB-CD2 3.98Å; F295-F324 HydrophobicContact CB-CE2 3.86Å; F295-F324 AromaticContact CD1-CE2 4Å; F295-F324 HydrophobicContact CD1-CE2 4Å; F295-F324 HydrophobicContact CD2-CE2 4.33Å; F295-F324 HydrophobicContact CG-CD2 4.3Å; F295-F324 AromaticContact CG-CE2 3.82Å; F295-F324 HydrophobicContact CG-CE2 3.82Å
296	L	89.4	Confident	86.4	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-43	-179.2	-64.5	-178.5	0	0	0	112.3	I36 F82 T292 S293 F299 N300 P323 K327	I36-L296 HydrophobicContact CD1-CD1 4.14Å; I36-L296 HydrophobicContact CG2-CD1 4.08Å; F82-L296 HydrophobicContact CD1-CB 4.42Å; F82-L296 HydrophobicContact CD2-CD1 4.01Å; F82-L296 HydrophobicContact CE1-CB 3.57Å; F82-L296 HydrophobicContact CE2-CB 3.7Å; F82-L296 HydrophobicContact CE2-CD1 3.59Å; F82-L296 HydrophobicContact CE2-CG 4.29Å; F82-L296 HydrophobicContact CZ-CB 3.11Å; F82-L296 HydrophobicContact CZ-CD1 3.93Å; F82-L296 HydrophobicContact CZ-CG 4.16Å; T292-L296 HydrophobicContact CG2-CD1 3.98Å; T292-L296 HydrophobicContact CG2-CG 4.09Å; T292-L296 WeakPolarHBondContact O-CG 3.28Å; T292-L296 PolarHBondContact O-N 3.48Å; S293-L296 PolarHBondContact O-N 3.29Å; L296-F299 PolarHBondContact O-N 2.92Å; L296-N300 PolarHBondContact O-N 3.35Å; L296-P323 HydrophobicContact CD1-CB 3.86Å; L296-P323 WeakPolarHBondContact CD2-O 3.36Å; L296-K327 HydrophobicContact CD2-CB 3.37Å; L296-K327 HydrophobicContact CD2-CD 4.49Å; L296-K327 HydrophobicContact CD2-CG 3.64Å
297	D	86.4	Confident	87.4	Confident	6 Å²	6	26.1 Å²	26.1	3%	0.032	13%	0.128	C	C	.	.	H	α-helix	trans	-67.9	-44.6	176.3	-80.5	-46.7	0	0	0	112	R68 Y70 F82 W213 S293 F295 F299 N300 Y301	R68-D297 WeakPolarHBondContact CD-OD2 3.45Å; R68-D297 IonicContact CZ-OD1 2.71Å; R68-D297 IonicContact CZ-OD2 3.32Å; R68-D297 IonicContact NE-OD2 3.47Å; R68-D297 PolarHBondContact NE-OD2 2.92Å; R68-D297 VanDerWaalsContact NE-OD2 3.1Å; R68-D297 IonicContact NH1-OD1 3.73Å; R68-D297 PolarHBondContact NH1-OD1 3.02Å; R68-D297 IonicContact NH1-OD2 3.1Å; R68-D297 PolarHBondContact NH1-OD2 3.17Å; R68-D297 IonicContact NH2-OD2 2.75Å; Y70-D297 PolarHBondContact OH-OD1 2.96Å; F82-D297 HydrophobicContact CZ-CB 4.47Å; W213-D297 HydrophobicContact CE3-CB 3.68Å; W213-D297 HydrophobicContact CH2-CB 4.24Å; W213-D297 HydrophobicContact CZ3-CB 3.46Å; W213-D297 VanDerWaalsContact CZ3-CB 3.46Å; S293-D297 PolarHBondContact O-N 3.38Å; F295-D297 PolarHBondContact O-N 3.38Å; D297-F299 VanDerWaalsContact C-N 3.28Å; D297-F299 PolarHBondContact O-N 2.84Å; D297-N300 PolarHBondContact O-N 2.7Å; D297-Y301 PolarHBondContact O-N 3.35Å
298	A	89.7	Confident	88.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-36.6	176.7	0	0	0	0	0	111.8	F190 W213 F281 V283 W294 F295 Y301 A302	F190-A298 HydrophobicContact CD1-CB 4.22Å; F190-A298 HydrophobicContact CE1-CB 3.36Å; F190-A298 HydrophobicContact CZ-CB 3.95Å; W213-A298 HydrophobicContact CD2-CB 4.03Å; W213-A298 HydrophobicContact CG-CB 4.12Å; W213-A298 HydrophobicContact CZ2-CB 4.33Å; F281-A298 HydrophobicContact CD1-CB 3.74Å; F281-A298 HydrophobicContact CE1-CB 4.31Å; F281-A298 WeakPolarHBondContact CE1-O 3.19Å; V283-A298 HydrophobicContact CG1-CB 4.01Å; W294-A298 WeakPolarHBondContact O-CB 3.42Å; W294-A298 PolarHBondContact O-N 2.9Å; F295-A298 PolarHBondContact O-N 3.26Å; A298-Y301 WeakPolarHBondContact O-CB 3.43Å; A298-Y301 PolarHBondContact O-N 3.21Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 3.11Å
299	F	92.3	Very high	89.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.2	-44.9	172.9	-70	-23.6	0	0	0	112.2	F190 F295 L296 D297 Y301 A302 I303 I310 F324 K327 V328 L331	F190-F299 HydrophobicContact CD1-CD1 4.19Å; F190-F299 AromaticContact CD1-CE1 3.76Å; F190-F299 HydrophobicContact CD1-CE1 3.76Å; F190-F299 AromaticContact CE1-CD1 3.32Å; F190-F299 HydrophobicContact CE1-CD1 3.32Å; F190-F299 AromaticContact CE1-CE1 3.36Å; F190-F299 HydrophobicContact CE1-CE1 3.36Å; F190-F299 HydrophobicContact CE1-CG 4.38Å; F190-F299 HydrophobicContact CE1-CZ 4.45Å; F190-F299 HydrophobicContact CE2-CD1 4.48Å; F190-F299 HydrophobicContact CE2-CE1 4.48Å; F190-F299 HydrophobicContact CG-CE1 4.46Å; F190-F299 AromaticContact CZ-CD1 3.53Å; F190-F299 HydrophobicContact CZ-CD1 3.53Å; F190-F299 AromaticContact CZ-CE1 3.81Å; F190-F299 HydrophobicContact CZ-CE1 3.81Å; F295-F299 HydrophobicContact CB-CD2 4.39Å; F295-F299 HydrophobicContact CB-CE2 4.1Å; F295-F299 HydrophobicContact CB-CZ 4.47Å; F295-F299 HydrophobicContact CD1-CE1 4.48Å; F295-F299 HydrophobicContact CD1-CE2 4.46Å; F295-F299 HydrophobicContact CD1-CZ 4.03Å; F295-F299 VanDerWaalsContact O-CB 3.25Å; F295-F299 WeakPolarHBondContact O-CB 3.45Å; F295-F299 VanDerWaalsContact O-CD2 3.27Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 WeakPolarHBondContact O-CG 3.49Å; F295-F299 PolarHBondContact O-N 3.04Å; L296-F299 PolarHBondContact O-N 2.92Å; D297-F299 VanDerWaalsContact C-N 3.28Å; D297-F299 PolarHBondContact O-N 2.84Å; F299-Y301 PolarHBondContact O-N 2.96Å; F299-A302 WeakPolarHBondContact O-CB 3.34Å; F299-A302 PolarHBondContact O-N 3.19Å; F299-A302 VanDerWaalsContact O-N 3.16Å; F299-I303 WeakPolarHBondContact O-CG1 3.01Å; F299-I303 PolarHBondContact O-N 3.41Å; F299-I310 HydrophobicContact CD1-CD1 4.31Å; F299-I310 HydrophobicContact CE1-CD1 4.5Å; F299-F324 HydrophobicContact CE2-CD2 4.08Å; F299-F324 AromaticContact CE2-CE2 3.6Å; F299-F324 HydrophobicContact CE2-CE2 3.6Å; F299-F324 HydrophobicContact CE2-CZ 4.16Å; F299-F324 AromaticContact CZ-CE2 3.96Å; F299-F324 HydrophobicContact CZ-CE2 3.96Å; F299-F324 HydrophobicContact CZ-CZ 4.28Å; F299-K327 HydrophobicContact CB-CD 4.25Å; F299-K327 HydrophobicContact CB-CG 3.76Å; F299-K327 HydrophobicContact CD2-CB 4.33Å; F299-K327 HydrophobicContact CD2-CG 3.63Å; F299-K327 HydrophobicContact CG-CG 4.18Å; F299-V328 HydrophobicContact CE2-CG2 4.41Å; F299-L331 HydrophobicContact CB-CD1 4.23Å; F299-L331 HydrophobicContact CB-CD2 3.96Å; F299-L331 HydrophobicContact CB-CG 4.28Å; F299-L331 HydrophobicContact CD1-CD1 3.58Å; F299-L331 HydrophobicContact CD1-CD2 4.29Å; F299-L331 HydrophobicContact CD1-CG 4.45Å; F299-L331 HydrophobicContact CD2-CD1 3.94Å; F299-L331 HydrophobicContact CE1-CD1 3.8Å; F299-L331 HydrophobicContact CE2-CD1 4.12Å; F299-L331 HydrophobicContact CG-CD1 3.67Å; F299-L331 HydrophobicContact CG-CD2 4.26Å; F299-L331 HydrophobicContact CG-CG 4.26Å; F299-L331 HydrophobicContact CZ-CD1 4.06Å
300	N	90.2	Very high	90.7	Very high	14 Å²	14	20.9 Å²	20.9	8%	0.075	10%	0.096	C	C	.	.	H	α-helix	trans	-58.2	-38.9	172.3	-78.4	-6.7	0	0	0	111.1	S80 D81 L296 D297 I303 S304 K327	S80-N300 PolarHBondContact OG-ND2 3.28Å; D81-N300 PolarHBondContact OD1-ND2 2.99Å; L296-N300 PolarHBondContact O-N 3.35Å; D297-N300 PolarHBondContact O-N 2.7Å; N300-I303 PolarHBondContact O-N 2.77Å; N300-S304 PolarHBondContact O-N 3.45Å; N300-S304 VanDerWaalsContact O-N 3.07Å; N300-K327 PolarHBondContact OD1-NZ 2.85Å
301	Y	89.4	Confident	91.5	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-67	-43.7	175.2	-165.9	-98.6	0	0	0	112.4	P71 S73 N74 E209 T211 W213 F281 D297 A298 F299 I303 S304 R305	P71-Y301 HydrophobicContact CB-CE2 4.47Å; P71-Y301 HydrophobicContact CG-CE2 3.96Å; S73-Y301 PolarHBondContact OG-OH 2.99Å; N74-Y301 HydrophobicContact CB-CE2 3.97Å; N74-Y301 WeakPolarHBondContact ND2-CD2 3.42Å; N74-Y301 VanDerWaalsContact ND2-CE2 3.34Å; N74-Y301 WeakPolarHBondContact ND2-CE2 3.29Å; E209-Y301 WeakPolarHBondContact OE2-CE1 3.3Å; E209-Y301 PolarHBondContact OE2-OH 2.9Å; E209-Y301 VanDerWaalsContact OE2-OH 3.11Å; T211-Y301 HydrophobicContact CG2-CE1 3.94Å; W213-Y301 HydrophobicContact CH2-CD2 4.24Å; W213-Y301 HydrophobicContact CH2-CG 4.12Å; W213-Y301 HydrophobicContact CZ2-CD1 4.24Å; W213-Y301 HydrophobicContact CZ2-CD2 4.27Å; W213-Y301 AromaticContact CZ2-CG 3.8Å; W213-Y301 HydrophobicContact CZ2-CG 3.8Å; F281-Y301 AromaticContact CE1-CD1 3.66Å; F281-Y301 HydrophobicContact CE1-CD1 3.66Å; F281-Y301 HydrophobicContact CE1-CG 4.39Å; F281-Y301 AromaticContact CZ-CD1 3.95Å; F281-Y301 HydrophobicContact CZ-CD1 3.95Å; D297-Y301 PolarHBondContact O-N 3.35Å; A298-Y301 WeakPolarHBondContact O-CB 3.43Å; A298-Y301 PolarHBondContact O-N 3.21Å; F299-Y301 PolarHBondContact O-N 2.96Å; Y301-I303 VanDerWaalsContact C-N 3.31Å; Y301-I303 PolarHBondContact O-N 3.34Å; Y301-S304 WeakPolarHBondContact O-CB 3.39Å; Y301-S304 PolarHBondContact O-N 2.7Å; Y301-S304 VanDerWaalsContact O-N 3.09Å; Y301-S304 PolarHBondContact O-OG 3.33Å; Y301-R305 HydrophobicContact CD1-CG 4.08Å; Y301-R305 HydrophobicContact CE1-CG 3.84Å; Y301-R305 PolarHBondContact O-N 3.39Å; Y301-R305 PolarHBondContact OH-NH2 3.42Å
302	A	92.4	Very high	91.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-40.9	174.8	0	0	0	0	0	112.4	F190 F281 A298 F299 R305 K306 L307 I310	F190-A302 HydrophobicContact CZ-CB 4.25Å; F281-A302 HydrophobicContact CZ-CB 4.07Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 3.11Å; F299-A302 WeakPolarHBondContact O-CB 3.34Å; F299-A302 PolarHBondContact O-N 3.19Å; F299-A302 VanDerWaalsContact O-N 3.16Å; A302-R305 CarbonylContact O-C 3.54Å; A302-R305 PolarHBondContact O-N 3.15Å; A302-K306 PolarHBondContact O-N 2.84Å; A302-L307 HydrophobicContact CB-CD1 3.55Å; A302-L307 HydrophobicContact CB-CG 4.01Å; A302-L307 PolarHBondContact O-N 3.07Å; A302-I310 HydrophobicContact CB-CD1 3.88Å
303	I	92.1	Very high	91.6	Very high	29 Å²	29	18.5 Å²	18.5	15%	0.149	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-47.1	172.6	-66	166	0	0	0	110.4	F299 N300 Y301 R305 K306 E330 L331 N334 I336	F299-I303 WeakPolarHBondContact O-CG1 3.01Å; F299-I303 PolarHBondContact O-N 3.41Å; N300-I303 PolarHBondContact O-N 2.77Å; Y301-I303 VanDerWaalsContact C-N 3.31Å; Y301-I303 PolarHBondContact O-N 3.34Å; I303-R305 VanDerWaalsContact C-N 3.25Å; I303-R305 PolarHBondContact O-N 2.77Å; I303-K306 WeakPolarHBondContact O-CA 3.28Å; I303-K306 PolarHBondContact O-N 3.3Å; I303-E330 HydrophobicContact CD1-CG 4.02Å; I303-L331 HydrophobicContact CD1-CD2 4.04Å; I303-L331 HydrophobicContact CG1-CD2 3.75Å; I303-N334 HydrophobicContact CG1-CB 4.34Å; I303-N334 HydrophobicContact CG2-CB 4.21Å; I303-I336 HydrophobicContact CG1-CD1 3.98Å
304	S	90.9	Very high	90.7	Very high	40 Å²	40	18.9 Å²	18.9	28%	0.28	9%	0.088	S	C	.	.	H	α-helix	trans	-61.3	-33.6	178.4	81.3	0	0	0	0	113	N74 N300 Y301 K306	N74-S304 PolarHBondContact ND2-OG 3.29Å; N300-S304 PolarHBondContact O-N 3.45Å; N300-S304 VanDerWaalsContact O-N 3.07Å; Y301-S304 WeakPolarHBondContact O-CB 3.39Å; Y301-S304 PolarHBondContact O-N 2.7Å; Y301-S304 VanDerWaalsContact O-N 3.09Å; Y301-S304 PolarHBondContact O-OG 3.33Å; S304-K306 VanDerWaalsContact C-N 3.27Å; S304-K306 PolarHBondContact O-N 2.7Å
305	R	91.4	Very high	89.5	Confident	47 Å²	47	17.5 Å²	17.5	18%	0.177	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3	175.1	-66.4	-58.1	-173.9	-119.5	10.6	113.9	S73 N74 R186 E209 F279 Y301 A302 I303 L307	S73-R305 PolarHBondContact OG-NH2 2.86Å; N74-R305 PolarHBondContact OD1-NH1 2.58Å; R186-R305 WeakPolarHBondContact CD-O 3.3Å; R186-R305 PolarHBondContact NE-O 3.5Å; R186-R305 VanDerWaalsContact NE-O 3.16Å; E209-R305 IonicContact OE1-CZ 3.37Å; E209-R305 IonicContact OE1-NE 2.71Å; E209-R305 PolarHBondContact OE1-NE 2.69Å; E209-R305 VanDerWaalsContact OE1-NE 3.11Å; E209-R305 IonicContact OE1-NH2 3.91Å; E209-R305 PolarHBondContact OE1-NH2 2.85Å; E209-R305 IonicContact OE2-CZ 3.73Å; E209-R305 IonicContact OE2-NE 3.25Å; E209-R305 PolarHBondContact OE2-NE 3.2Å; E209-R305 IonicContact OE2-NH2 3.92Å; F279-R305 HydrophobicContact CD1-CB 4.41Å; F279-R305 HydrophobicContact CD1-CG 4.26Å; F279-R305 HydrophobicContact CE1-CB 4.07Å; F279-R305 HydrophobicContact CE1-CG 3.96Å; Y301-R305 HydrophobicContact CD1-CG 4.08Å; Y301-R305 HydrophobicContact CE1-CG 3.84Å; Y301-R305 PolarHBondContact O-N 3.39Å; Y301-R305 PolarHBondContact OH-NH2 3.42Å; A302-R305 CarbonylContact O-C 3.54Å; A302-R305 PolarHBondContact O-N 3.15Å; I303-R305 VanDerWaalsContact C-N 3.25Å; I303-R305 PolarHBondContact O-N 2.77Å; R305-L307 VanDerWaalsContact C-N 3.25Å; R305-L307 HydrophobicContact CB-CD2 3.8Å; R305-L307 HydrophobicContact CB-CG 4.31Å; R305-L307 PolarHBondContact O-N 3.28Å
306	K	93.4	Very high	88.3	Confident	151 Å²	151	17.6 Å²	17.6	66%	0.657	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	45.8	179.6	-54.4	-179.5	179.1	-176.6	0	110.9	R186 A302 I303 S304	R186-K306 PolarHBondContact NE-O 3.24Å; R186-K306 PolarHBondContact NH2-O 3.11Å; A302-K306 PolarHBondContact O-N 2.84Å; I303-K306 WeakPolarHBondContact O-CA 3.28Å; I303-K306 PolarHBondContact O-N 3.3Å; S304-K306 VanDerWaalsContact C-N 3.27Å; S304-K306 PolarHBondContact O-N 2.7Å
307	L	97.5	Very high	86.4	Confident	4 Å²	4	20.1 Å²	20.1	2%	0.021	11%	0.106	C	C	.	.			trans	-57.5	149.8	177.8	-54.5	-171.4	0	0	0	109.7	R186 F279 F281 A302 R305 I310 I336	R186-L307 HydrophobicContact CB-CD2 3.91Å; F279-L307 HydrophobicContact CB-CD1 4.35Å; F279-L307 HydrophobicContact CB-CD2 4.14Å; F279-L307 HydrophobicContact CD1-CD2 4.01Å; F279-L307 HydrophobicContact CD2-CD2 3.46Å; F279-L307 VanDerWaalsContact CD2-CD2 3.46Å; F279-L307 HydrophobicContact CE1-CD2 4.29Å; F279-L307 HydrophobicContact CE2-CD2 3.79Å; F279-L307 HydrophobicContact CG-CD2 3.59Å; F279-L307 HydrophobicContact CZ-CD2 4.19Å; F281-L307 HydrophobicContact CE2-CD1 3.7Å; F281-L307 HydrophobicContact CZ-CD1 4Å; A302-L307 HydrophobicContact CB-CD1 3.55Å; A302-L307 HydrophobicContact CB-CG 4.01Å; A302-L307 PolarHBondContact O-N 3.07Å; R305-L307 VanDerWaalsContact C-N 3.25Å; R305-L307 HydrophobicContact CB-CD2 3.8Å; R305-L307 HydrophobicContact CB-CG 4.31Å; R305-L307 PolarHBondContact O-N 3.28Å; L307-I310 HydrophobicContact CD1-CG1 4.23Å; L307-I336 HydrophobicContact CB-CG2 4.46Å; L307-I336 WeakPolarHBondContact O-CG1 3.47Å
308	H	98.3	Very high	84.9	Confident	36 Å²	36	20.7 Å²	20.7	17%	0.167	11%	0.109	C	C	.	.	S	Bend	trans	-90.6	-35.7	176.5	-52.4	105.6	0	0	0	111.4	G184 V185 R186 L337 I434	G184-H308 PolarHBondContact O-CE1 3.33Å; V185-H308 HydrophobicContact CG1-CB 4.34Å; R186-H308 PolarHBondContact N-ND1 3.12Å; R186-H308 PolarHBondContact NH1-CE1 3.41Å; R186-H308 PolarHBondContact NH2-CE1 3.5Å; R186-H308 VanDerWaalsContact NH2-CE1 3.3Å; R186-H308 PolarHBondContact NH2-NE2 2.79Å; R186-H308 PolarHBondContact O-N 3.21Å; H308-L337 PolarHBondContact O-N 2.99Å; H308-I434 HydrophobicContact CB-CD1 3.98Å; H308-I434 HydrophobicContact CB-CG2 4.37Å
309	V	98.7	Very high	83	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.1	-178.3	59.4	0	0	0	0	110.5	R186 V187 G188 L337 V339 T427 V430 I434	R186-V309 PolarHBondContact O-N 2.67Å; V187-V309 WeakPolarHBondContact CA-O 3.42Å; V187-V309 HydrophobicContact CB-CG1 4.25Å; V187-V309 HydrophobicContact CG1-CG1 4.14Å; V187-V309 HydrophobicContact CG2-CG1 3.78Å; G188-V309 PolarHBondContact N-O 2.91Å; V309-L337 CarbonylContact C-O 3.55Å; V309-L337 VanDerWaalsContact CA-O 3.25Å; V309-L337 WeakPolarHBondContact CA-O 3.34Å; V309-L337 HydrophobicContact CB-CB 4.45Å; V309-L337 HydrophobicContact CG2-CB 4.35Å; V309-L337 HydrophobicContact CG2-CG 4.46Å; V309-L337 WeakPolarHBondContact CG2-O 3.17Å; V309-V339 HydrophobicContact CG2-CG2 3.74Å; V309-T427 HydrophobicContact CG1-CG2 4.22Å; V309-T427 HydrophobicContact CG2-CG2 3.97Å; V309-V430 HydrophobicContact CB-CG1 4Å; V309-V430 HydrophobicContact CG1-CG1 4.29Å; V309-V430 HydrophobicContact CG2-CG1 3.74Å; V309-I434 HydrophobicContact CB-CD1 4.3Å; V309-I434 HydrophobicContact CG1-CD1 4.36Å
310	I	98.3	Very high	81.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.6	170.7	-67.4	170.9	0	0	0	108.3	G188 F190 F299 A302 L307 L331 I336 L337 L338 V339	G188-I310 CarbonylContact O-C 3.56Å; G188-I310 WeakPolarHBondContact O-CA 3.44Å; F190-I310 HydrophobicContact CD2-CG2 3.54Å; F190-I310 HydrophobicContact CE2-CD1 4.04Å; F190-I310 HydrophobicContact CE2-CG1 4.12Å; F190-I310 HydrophobicContact CE2-CG2 3.76Å; F190-I310 HydrophobicContact CG-CG2 4.27Å; F190-I310 HydrophobicContact CZ-CD1 4.32Å; F299-I310 HydrophobicContact CD1-CD1 4.31Å; F299-I310 HydrophobicContact CE1-CD1 4.5Å; A302-I310 HydrophobicContact CB-CD1 3.88Å; L307-I310 HydrophobicContact CD1-CG1 4.23Å; I310-L331 HydrophobicContact CD1-CD1 4.08Å; I310-L331 HydrophobicContact CD1-CD2 3.9Å; I310-I336 HydrophobicContact CD1-CG2 3.76Å; I310-I336 HydrophobicContact CG1-CG2 3.79Å; I310-L337 PolarHBondContact N-O 2.87Å; I310-L338 HydrophobicContact CB-CD1 3.73Å; I310-L338 HydrophobicContact CG2-CD1 3.52Å; I310-V339 PolarHBondContact O-N 2.7Å
311	N	98	Very high	80.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124	164.8	177.4	74.2	0	0	0	109.6	G188 F190 V239 I243 S313 S423 P424 T427	G188-N311 PolarHBondContact O-N 2.74Å; F190-N311 PolarHBondContact N-O 3.07Å; V239-N311 WeakPolarHBondContact CG1-ND2 3.46Å; I243-N311 HydrophobicContact CD1-CB 4.19Å; N311-S313 PolarHBondContact ND2-OG 3.42Å; N311-S313 PolarHBondContact OD1-OG 3.27Å; N311-S423 PolarHBondContact OD1-OG 3.08Å; N311-P424 WeakPolarHBondContact OD1-CA 3.48Å; N311-T427 HydrophobicContact CB-CG2 3.98Å; N311-T427 WeakPolarHBondContact CB-OG1 3.38Å; N311-T427 PolarHBondContact OD1-OG1 3.08Å
312	L	90.4	Very high	79.8	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	88.6	172.6	-166	74.5	0	0	0	108.7	F190 F295 I314 F324 L338 V339 S340 A341 P355	F190-L312 HydrophobicContact CB-CD1 3.89Å; F295-L312 HydrophobicContact CD1-CD1 4.33Å; F295-L312 HydrophobicContact CE1-CD1 3.67Å; L312-I314 HydrophobicContact CD1-CB 4.48Å; L312-I314 HydrophobicContact CD1-CD1 3.74Å; L312-I314 HydrophobicContact CG-CB 4.26Å; L312-I314 HydrophobicContact CG-CD1 4.24Å; L312-I314 PolarHBondContact O-N 3.47Å; L312-F324 HydrophobicContact CD2-CZ 3.98Å; L312-L338 HydrophobicContact CB-CD1 3.98Å; L312-V339 PolarHBondContact N-O 3.19Å; L312-S340 WeakPolarHBondContact O-CA 3.22Å; L312-S340 PolarHBondContact O-OG 3.19Å; L312-A341 PolarHBondContact O-N 3.42Å; L312-P355 HydrophobicContact CD2-CG 3.54Å
313	S	81.7	Confident	79.4	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.15	C	C	.	.			trans	-80.9	36.6	175.6	-60.6	0	0	0	0	112.1	N311 S420 P424	N311-S313 PolarHBondContact ND2-OG 3.42Å; N311-S313 PolarHBondContact OD1-OG 3.27Å; S313-S420 PolarHBondContact OG-O 2.74Å; S313-P424 WeakPolarHBondContact OG-CD 3.31Å
314	I	68.8	Low	79.1	Confident	14 Å²	14	29 Å²	29	7%	0.072	15%	0.148	C	C	.	.			trans	-127.4	142.2	177.8	-60	113.4	0	0	0	107	F190 F284 F295 L312 S340	F190-I314 VanDerWaalsContact O-CD1 3.28Å; F190-I314 WeakPolarHBondContact O-CD1 3.03Å; F284-I314 HydrophobicContact CD2-CD1 4.29Å; F284-I314 HydrophobicContact CE2-CD1 3.36Å; F284-I314 HydrophobicContact CE2-CG1 3.53Å; F284-I314 HydrophobicContact CZ-CB 4.46Å; F284-I314 HydrophobicContact CZ-CD1 4Å; F284-I314 HydrophobicContact CZ-CG1 3.69Å; F284-I314 HydrophobicContact CZ-CG2 3.98Å; F295-I314 HydrophobicContact CE1-CD1 4.5Å; F295-I314 HydrophobicContact CZ-CD1 4.4Å; L312-I314 HydrophobicContact CD1-CB 4.48Å; L312-I314 HydrophobicContact CD1-CD1 3.74Å; L312-I314 HydrophobicContact CG-CB 4.26Å; L312-I314 HydrophobicContact CG-CD1 4.24Å; L312-I314 PolarHBondContact O-N 3.47Å; I314-S340 PolarHBondContact O-OG 2.85Å
315	G	61.6	Low	78.8	Confident	14 Å²	14	28 Å²	28	14%	0.144	14%	0.14	C	C	.	.			trans	-152.1	155.2	162.2	0	0	0	0	0	108.9	N354	G315-N354 WeakPolarHBondContact CA-O 3.24Å
316	G	63.5	Low	78.6	Confident	6 Å²	6	26.9 Å²	26.9	6%	0.062	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-153.7	168.1	168.5	0	0	0	0	0	109.9	D318 N354	G316-D318 PolarHBondContact O-N 2.76Å; G316-D318 VanDerWaalsContact O-N 3.09Å; G316-N354 PolarHBondContact N-O 2.96Å; G316-N354 PolarHBondContact O-N 3.09Å; G316-N354 VanDerWaalsContact O-N 3.07Å
317	P	49.1	Very low	78.5	Confident	56 Å²	56	20 Å²	20	36%	0.364	11%	0.108	S	C	.	.	S	Bend	trans	-74.1	11	-179.5	31	-38.1	0	0	0	113.8	Y26 F319	Y26-P317 HydrophobicContact CD1-CG 4.03Å; Y26-P317 HydrophobicContact CE1-CG 4.35Å; P317-F319 VanDerWaalsContact C-N 3.31Å; P317-F319 HydrophobicContact CB-CE2 3.85Å; P317-F319 HydrophobicContact CB-CZ 4.48Å; P317-F319 WeakPolarHBondContact O-CD2 3.28Å; P317-F319 WeakPolarHBondContact O-CE2 3.28Å; P317-F319 PolarHBondContact O-N 3.29Å
318	D	55.2	Low	78.2	Confident	19 Å²	19	19.9 Å²	19.9	10%	0.102	11%	0.107	C	C	.	.			trans	-89.6	66.7	-176.3	-158.6	-18	0	0	0	113	Y26 S28 K115 G316 L320 D321	Y26-D318 HydrophobicContact CE1-CB 4.12Å; Y26-D318 WeakPolarHBondContact OH-CB 3.5Å; S28-D318 WeakPolarHBondContact CB-OD2 3.32Å; S28-D318 PolarHBondContact OG-OD2 2.95Å; K115-D318 WeakPolarHBondContact CD-OD2 3.47Å; K115-D318 WeakPolarHBondContact CE-OD2 3.36Å; K115-D318 IonicContact NZ-OD1 3.8Å; K115-D318 PolarHBondContact NZ-OD1 2.92Å; K115-D318 IonicContact NZ-OD2 2.7Å; K115-D318 PolarHBondContact NZ-OD2 2.98Å; G316-D318 PolarHBondContact O-N 2.76Å; G316-D318 VanDerWaalsContact O-N 3.09Å; D318-L320 PolarHBondContact O-N 3.29Å; D318-L320 PolarHBondContact OD1-N 3.49Å; D318-D321 PolarHBondContact O-N 3.43Å; D318-D321 PolarHBondContact OD1-N 2.94Å
319	F	50.3	Low	77.9	Confident	12 Å²	12	19 Å²	19	5%	0.053	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.9	174.4	-44.8	-90.2	0	0	0	113	P317 D321 L352 N354 D357 W384 Y682	P317-F319 VanDerWaalsContact C-N 3.31Å; P317-F319 HydrophobicContact CB-CE2 3.85Å; P317-F319 HydrophobicContact CB-CZ 4.48Å; P317-F319 WeakPolarHBondContact O-CD2 3.28Å; P317-F319 WeakPolarHBondContact O-CE2 3.28Å; P317-F319 PolarHBondContact O-N 3.29Å; F319-D321 VanDerWaalsContact C-N 3.32Å; F319-L352 WeakPolarHBondContact CZ-O 3.17Å; F319-N354 HydrophobicContact CD1-CB 3.34Å; F319-N354 WeakPolarHBondContact CD1-ND2 3.42Å; F319-N354 HydrophobicContact CE1-CB 3.49Å; F319-N354 VanDerWaalsContact CE1-CB 3.49Å; F319-N354 HydrophobicContact CG-CB 4.13Å; F319-N354 HydrophobicContact CZ-CB 4.4Å; F319-D357 WeakPolarHBondContact CD1-OD2 3.46Å; F319-D357 WeakPolarHBondContact CE1-OD2 3.38Å; F319-W384 HydrophobicContact CB-CH2 4.22Å; F319-W384 HydrophobicContact CB-CZ2 3.75Å; F319-W384 HydrophobicContact CD1-CZ2 4.22Å; F319-W384 HydrophobicContact CG-CZ2 4.36Å; F319-Y682 AromaticContact CD1-CZ 3.95Å; F319-Y682 WeakPolarHBondContact CD1-OH 3.38Å; F319-Y682 HydrophobicContact CD2-CE1 4.37Å; F319-Y682 AromaticContact CD2-CE2 3.55Å; F319-Y682 HydrophobicContact CD2-CE2 3.55Å; F319-Y682 AromaticContact CD2-CZ 3.29Å; F319-Y682 WeakPolarHBondContact CD2-OH 3.37Å; F319-Y682 WeakPolarHBondContact CE1-OH 3.37Å; F319-Y682 AromaticContact CE2-CE2 3.57Å; F319-Y682 HydrophobicContact CE2-CE2 3.57Å; F319-Y682 AromaticContact CE2-CZ 3.53Å; F319-Y682 WeakPolarHBondContact CE2-OH 3.38Å; F319-Y682 HydrophobicContact CG-CE1 4.33Å; F319-Y682 HydrophobicContact CG-CE2 4.29Å; F319-Y682 AromaticContact CG-CZ 3.57Å; F319-Y682 WeakPolarHBondContact CG-OH 3.49Å; F319-Y682 HydrophobicContact CZ-CE2 4.33Å; F319-Y682 WeakPolarHBondContact CZ-OH 3.37Å
320	L	55.2	Low	77.6	Confident	73 Å²	73	20.9 Å²	20.9	38%	0.382	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.6	-179.3	-70.8	175.6	0	0	0	112.8	D318 K322 P683	D318-L320 PolarHBondContact O-N 3.29Å; D318-L320 PolarHBondContact OD1-N 3.49Å; L320-K322 PolarHBondContact O-N 3.33Å; L320-P683 HydrophobicContact CD1-CB 4.31Å; L320-P683 HydrophobicContact CD2-CB 3.5Å; L320-P683 HydrophobicContact CD2-CG 3.42Å; L320-P683 VanDerWaalsContact CD2-CG 3.42Å; L320-P683 HydrophobicContact CG-CB 3.79Å; L320-P683 HydrophobicContact CG-CG 4.27Å
321	D	71.5	Confident	77.4	Confident	7 Å²	7	20.9 Å²	20.9	4%	0.037	11%	0.112	C	C	.	.			trans	-70.9	73	167.8	-167.5	-2.7	0	0	0	110.9	K115 T292 D318 F319 P323 F324 V325	K115-D321 HydrophobicContact CD-CB 4.1Å; T292-D321 WeakPolarHBondContact CB-OD2 3.25Å; T292-D321 WeakPolarHBondContact CG2-OD1 3.48Å; T292-D321 WeakPolarHBondContact CG2-OD2 3.44Å; T292-D321 PolarHBondContact OG1-OD2 3.35Å; D318-D321 PolarHBondContact O-N 3.43Å; D318-D321 PolarHBondContact OD1-N 2.94Å; F319-D321 VanDerWaalsContact C-N 3.32Å; D321-P323 VanDerWaalsContact C-N 3.34Å; D321-P323 VanDerWaalsContact OD1-CD 3.31Å; D321-P323 WeakPolarHBondContact OD1-CD 3.29Å; D321-F324 HydrophobicContact CB-CB 4.01Å; D321-F324 WeakPolarHBondContact O-CA 3.2Å; D321-F324 WeakPolarHBondContact O-CB 3.33Å; D321-F324 PolarHBondContact O-N 3.15Å; D321-V325 PolarHBondContact O-N 3.11Å
322	K	77.5	Confident	77.3	Confident	98 Å²	98	21.1 Å²	21.1	43%	0.426	11%	0.114	S	C	.	.	H	α-helix	trans	-55.1	-40.5	-176.3	-175.6	166.2	-176.2	-55.8	0	113.5	L320 F324 V325 D326	L320-K322 PolarHBondContact O-N 3.33Å; K322-F324 VanDerWaalsContact C-N 3.31Å; K322-F324 PolarHBondContact O-N 3.29Å; K322-V325 PolarHBondContact O-N 3.5Å; K322-D326 IonicContact NZ-OD1 3.33Å; K322-D326 IonicContact NZ-OD2 3.15Å; K322-D326 PolarHBondContact NZ-OD2 3.33Å; K322-D326 VanDerWaalsContact O-CB 3.3Å; K322-D326 WeakPolarHBondContact O-CB 3.34Å; K322-D326 PolarHBondContact O-N 3.15Å
323	P	84.5	Confident	77.5	Confident	8 Å²	8	22.5 Å²	22.5	5%	0.052	13%	0.125	C	C	.	.	H	α-helix	trans	-53.2	-46.5	170.5	-27.4	33.4	0	0	0	113.1	I36 S112 T292 L296 D321 K327	I36-P323 HydrophobicContact CD1-CB 4.3Å; I36-P323 HydrophobicContact CD1-CG 4.28Å; I36-P323 HydrophobicContact CG2-CB 4.42Å; I36-P323 HydrophobicContact CG2-CG 4.47Å; S112-P323 WeakPolarHBondContact OG-CG 3.48Å; T292-P323 HydrophobicContact CG2-CB 4.32Å; L296-P323 HydrophobicContact CD1-CB 3.86Å; L296-P323 WeakPolarHBondContact CD2-O 3.36Å; D321-P323 VanDerWaalsContact C-N 3.34Å; D321-P323 VanDerWaalsContact OD1-CD 3.31Å; D321-P323 WeakPolarHBondContact OD1-CD 3.29Å; P323-K327 WeakPolarHBondContact O-CB 3.4Å; P323-K327 PolarHBondContact O-N 2.82Å; P323-K327 VanDerWaalsContact O-N 3.1Å
324	F	86.1	Confident	78.1	Confident	21 Å²	21	26.5 Å²	26.5	9%	0.092	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-50.1	178.3	-176.9	-93.5	0	0	0	111.8	T292 F295 F299 L312 D321 K322 D326 K327 V328 P355	T292-F324 HydrophobicContact CG2-CB 4.31Å; F295-F324 HydrophobicContact CB-CD2 3.98Å; F295-F324 HydrophobicContact CB-CE2 3.86Å; F295-F324 AromaticContact CD1-CE2 4Å; F295-F324 HydrophobicContact CD1-CE2 4Å; F295-F324 HydrophobicContact CD2-CE2 4.33Å; F295-F324 HydrophobicContact CG-CD2 4.3Å; F295-F324 AromaticContact CG-CE2 3.82Å; F295-F324 HydrophobicContact CG-CE2 3.82Å; F299-F324 HydrophobicContact CE2-CD2 4.08Å; F299-F324 AromaticContact CE2-CE2 3.6Å; F299-F324 HydrophobicContact CE2-CE2 3.6Å; F299-F324 HydrophobicContact CE2-CZ 4.16Å; F299-F324 AromaticContact CZ-CE2 3.96Å; F299-F324 HydrophobicContact CZ-CE2 3.96Å; F299-F324 HydrophobicContact CZ-CZ 4.28Å; L312-F324 HydrophobicContact CD2-CZ 3.98Å; D321-F324 HydrophobicContact CB-CB 4.01Å; D321-F324 WeakPolarHBondContact O-CA 3.2Å; D321-F324 WeakPolarHBondContact O-CB 3.33Å; D321-F324 PolarHBondContact O-N 3.15Å; K322-F324 VanDerWaalsContact C-N 3.31Å; K322-F324 PolarHBondContact O-N 3.29Å; F324-D326 PolarHBondContact O-N 3.29Å; F324-K327 PolarHBondContact O-N 2.79Å; F324-K327 VanDerWaalsContact O-N 3.11Å; F324-V328 HydrophobicContact CD1-CG2 4.2Å; F324-V328 HydrophobicContact CE1-CG2 3.87Å; F324-V328 HydrophobicContact CZ-CG2 4.23Å; F324-V328 WeakPolarHBondContact O-CG2 3.44Å; F324-V328 PolarHBondContact O-N 3.13Å; F324-P355 HydrophobicContact CE1-CB 4.1Å; F324-P355 HydrophobicContact CE1-CG 4.04Å; F324-P355 HydrophobicContact CZ-CG 4.36Å
325	V	84.6	Confident	79.4	Confident	19 Å²	19	27.1 Å²	27.1	12%	0.115	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-46.5	178.9	174.3	0	0	0	0	111.7	D321 K322 K327 V328 L329	D321-V325 PolarHBondContact O-N 3.11Å; K322-V325 PolarHBondContact O-N 3.5Å; V325-K327 PolarHBondContact O-N 3.1Å; V325-V328 PolarHBondContact O-N 3.09Å; V325-L329 PolarHBondContact O-N 3.39Å
326	D	87.2	Confident	81.1	Confident	25 Å²	25	26.6 Å²	26.6	13%	0.134	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-35.3	177.5	-82.3	-4	0	0	0	111.7	K109 K322 F324 E330	K109-D326 WeakPolarHBondContact CE-OD2 3.29Å; K109-D326 IonicContact NZ-OD2 3.8Å; K109-D326 PolarHBondContact NZ-OD2 3.26Å; K322-D326 IonicContact NZ-OD1 3.33Å; K322-D326 IonicContact NZ-OD2 3.15Å; K322-D326 PolarHBondContact NZ-OD2 3.33Å; K322-D326 VanDerWaalsContact O-CB 3.3Å; K322-D326 WeakPolarHBondContact O-CB 3.34Å; K322-D326 PolarHBondContact O-N 3.15Å; F324-D326 PolarHBondContact O-N 3.29Å; D326-E330 PolarHBondContact O-N 2.67Å
327	K	90.2	Very high	82.8	Confident	6 Å²	6	26.4 Å²	26.4	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-74.5	-34	179.2	-170.3	63	59.8	179.5	0	112.6	D81 L296 F299 N300 P323 F324 V325 L329 E330 L331	D81-K327 IonicContact OD1-NZ 3.36Å; D81-K327 PolarHBondContact OD1-NZ 2.94Å; D81-K327 IonicContact OD2-NZ 3.96Å; D81-K327 PolarHBondContact OD2-NZ 3.08Å; L296-K327 HydrophobicContact CD2-CB 3.37Å; L296-K327 HydrophobicContact CD2-CD 4.49Å; L296-K327 HydrophobicContact CD2-CG 3.64Å; F299-K327 HydrophobicContact CB-CD 4.25Å; F299-K327 HydrophobicContact CB-CG 3.76Å; F299-K327 HydrophobicContact CD2-CB 4.33Å; F299-K327 HydrophobicContact CD2-CG 3.63Å; F299-K327 HydrophobicContact CG-CG 4.18Å; N300-K327 PolarHBondContact OD1-NZ 2.85Å; P323-K327 WeakPolarHBondContact O-CB 3.4Å; P323-K327 PolarHBondContact O-N 2.82Å; P323-K327 VanDerWaalsContact O-N 3.1Å; F324-K327 PolarHBondContact O-N 2.79Å; F324-K327 VanDerWaalsContact O-N 3.11Å; V325-K327 PolarHBondContact O-N 3.1Å; K327-L329 VanDerWaalsContact C-N 3.3Å; K327-L329 PolarHBondContact O-N 3.05Å; K327-E330 HydrophobicContact CD-CB 4.41Å; K327-E330 WeakPolarHBondContact CD-OE2 3.38Å; K327-E330 WeakPolarHBondContact CE-OE2 3.48Å; K327-E330 IonicContact NZ-OE2 2.75Å; K327-E330 PolarHBondContact NZ-OE2 3.31Å; K327-E330 WeakPolarHBondContact O-CB 3.48Å; K327-E330 PolarHBondContact O-N 2.76Å; K327-E330 VanDerWaalsContact O-N 3.12Å; K327-L331 PolarHBondContact O-N 3.03Å
328	V	91.6	Very high	85.1	Confident	2 Å²	2	24 Å²	24	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-59.3	-43	172.1	169.4	0	0	0	0	111	F299 F324 V325 E330 L331 S332 L338 P355 V361	F299-V328 HydrophobicContact CE2-CG2 4.41Å; F324-V328 HydrophobicContact CD1-CG2 4.2Å; F324-V328 HydrophobicContact CE1-CG2 3.87Å; F324-V328 HydrophobicContact CZ-CG2 4.23Å; F324-V328 WeakPolarHBondContact O-CG2 3.44Å; F324-V328 PolarHBondContact O-N 3.13Å; V325-V328 PolarHBondContact O-N 3.09Å; V328-E330 VanDerWaalsContact C-N 3.3Å; V328-E330 PolarHBondContact O-N 2.72Å; V328-L331 WeakPolarHBondContact O-CB 3.41Å; V328-L331 PolarHBondContact O-N 2.91Å; V328-S332 PolarHBondContact O-N 3.09Å; V328-S332 VanDerWaalsContact O-N 3.14Å; V328-L338 HydrophobicContact CB-CD2 4.46Å; V328-L338 HydrophobicContact CG1-CD2 3.68Å; V328-L338 HydrophobicContact CG2-CD2 3.99Å; V328-P355 HydrophobicContact CG1-CB 4.35Å; V328-P355 HydrophobicContact CG2-CB 4.15Å; V328-P355 HydrophobicContact CG2-CG 4.49Å; V328-V361 HydrophobicContact CG1-CG2 3.53Å
329	L	91.2	Very high	87.1	Confident	16 Å²	16	23.1 Å²	23.1	8%	0.084	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-38	174.4	-64.8	171.2	0	0	0	112.1	V325 K327 S332 A333 D360 P602	V325-L329 PolarHBondContact O-N 3.39Å; K327-L329 VanDerWaalsContact C-N 3.3Å; K327-L329 PolarHBondContact O-N 3.05Å; L329-S332 PolarHBondContact O-N 2.75Å; L329-A333 WeakPolarHBondContact O-CB 3.33Å; L329-A333 PolarHBondContact O-N 3.3Å; L329-D360 WeakPolarHBondContact CD2-OD2 3.17Å; L329-P602 HydrophobicContact CB-CG 4.49Å; L329-P602 HydrophobicContact CD2-CG 4.32Å
330	E	92.8	Very high	89.2	Confident	40 Å²	40	22.6 Å²	22.6	19%	0.187	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-38.7	175.8	-175.7	176	-174.3	0	0	112.8	H42 I303 D326 K327 V328 A333 N334	H42-E330 IonicContact CE1-OE1 3.92Å; H42-E330 PolarHBondContact CE1-OE1 3.07Å; H42-E330 IonicContact NE2-OE1 2.85Å; I303-E330 HydrophobicContact CD1-CG 4.02Å; D326-E330 PolarHBondContact O-N 2.67Å; K327-E330 HydrophobicContact CD-CB 4.41Å; K327-E330 WeakPolarHBondContact CD-OE2 3.38Å; K327-E330 WeakPolarHBondContact CE-OE2 3.48Å; K327-E330 IonicContact NZ-OE2 2.75Å; K327-E330 PolarHBondContact NZ-OE2 3.31Å; K327-E330 WeakPolarHBondContact O-CB 3.48Å; K327-E330 PolarHBondContact O-N 2.76Å; K327-E330 VanDerWaalsContact O-N 3.12Å; V328-E330 VanDerWaalsContact C-N 3.3Å; V328-E330 PolarHBondContact O-N 2.72Å; E330-A333 PolarHBondContact O-N 3.39Å; E330-N334 PolarHBondContact O-N 2.04Å; E330-N334 PolarHBondContact O-ND2 2.98Å
331	L	94.7	Very high	91	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-50.2	172.4	-69.6	169.8	0	0	0	110.9	F299 I303 I310 K327 V328 A333 N334 G335 I336	F299-L331 HydrophobicContact CB-CD1 4.23Å; F299-L331 HydrophobicContact CB-CD2 3.96Å; F299-L331 HydrophobicContact CB-CG 4.28Å; F299-L331 HydrophobicContact CD1-CD1 3.58Å; F299-L331 HydrophobicContact CD1-CD2 4.29Å; F299-L331 HydrophobicContact CD1-CG 4.45Å; F299-L331 HydrophobicContact CD2-CD1 3.94Å; F299-L331 HydrophobicContact CE1-CD1 3.8Å; F299-L331 HydrophobicContact CE2-CD1 4.12Å; F299-L331 HydrophobicContact CG-CD1 3.67Å; F299-L331 HydrophobicContact CG-CD2 4.26Å; F299-L331 HydrophobicContact CG-CG 4.26Å; F299-L331 HydrophobicContact CZ-CD1 4.06Å; I303-L331 HydrophobicContact CD1-CD2 4.04Å; I303-L331 HydrophobicContact CG1-CD2 3.75Å; I310-L331 HydrophobicContact CD1-CD1 4.08Å; I310-L331 HydrophobicContact CD1-CD2 3.9Å; K327-L331 PolarHBondContact O-N 3.03Å; V328-L331 WeakPolarHBondContact O-CB 3.41Å; V328-L331 PolarHBondContact O-N 2.91Å; L331-A333 VanDerWaalsContact C-N 3.33Å; L331-A333 PolarHBondContact O-N 2.89Å; L331-N334 CarbonylContact O-C 3.5Å; L331-N334 PolarHBondContact O-N 3.1Å; L331-N334 VanDerWaalsContact O-N 3.1Å; L331-G335 PolarHBondContact O-N 2.04Å; L331-I336 HydrophobicContact CB-CB 4.36Å; L331-I336 HydrophobicContact CD2-CD1 3.97Å; L331-I336 WeakPolarHBondContact O-CB 3.33Å; L331-I336 PolarHBondContact O-N 2.92Å
332	S	95.5	Very high	92	Very high	5 Å²	5	19 Å²	19	4%	0.035	11%	0.106	C	C	.	.	H	α-helix	trans	-57.5	-47.5	177.1	-176.8	0	0	0	0	110.6	V328 L329 N334 G335 D360 W603	V328-S332 PolarHBondContact O-N 3.09Å; V328-S332 VanDerWaalsContact O-N 3.14Å; L329-S332 PolarHBondContact O-N 2.75Å; S332-N334 PolarHBondContact O-N 2.96Å; S332-G335 WeakPolarHBondContact O-CA 3.29Å; S332-G335 PolarHBondContact O-N 2.59Å; S332-D360 PolarHBondContact OG-OD1 3.2Å; S332-W603 PolarHBondContact O-NE1 3.35Å; S332-W603 VanDerWaalsContact OG-CD1 3.32Å
333	A	95.3	Very high	92.6	Very high	29 Å²	29	14.4 Å²	14.4	24%	0.24	9%	0.088	C	C	.	.	H	α-helix	trans	-59.9	-29.1	178	0	0	0	0	0	113.6	L329 E330 L331 G335 V569 W601 P602	L329-A333 WeakPolarHBondContact O-CB 3.33Å; L329-A333 PolarHBondContact O-N 3.3Å; E330-A333 PolarHBondContact O-N 3.39Å; L331-A333 VanDerWaalsContact C-N 3.33Å; L331-A333 PolarHBondContact O-N 2.89Å; A333-G335 PolarHBondContact O-N 3.43Å; A333-V569 HydrophobicContact CB-CG2 4.36Å; A333-W601 HydrophobicContact CB-CZ2 4.47Å; A333-P602 HydrophobicContact CB-CB 3.85Å; A333-P602 HydrophobicContact CB-CG 4.39Å
334	N	94.9	Very high	92.7	Very high	86 Å²	86	14.7 Å²	14.7	46%	0.46	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9.7	174.6	-79.1	-83.8	0	0	0	113.6	I303 E330 L331 S332 I336	I303-N334 HydrophobicContact CG1-CB 4.34Å; I303-N334 HydrophobicContact CG2-CB 4.21Å; E330-N334 PolarHBondContact O-N 2.04Å; E330-N334 PolarHBondContact O-ND2 2.98Å; L331-N334 CarbonylContact O-C 3.5Å; L331-N334 PolarHBondContact O-N 3.1Å; L331-N334 VanDerWaalsContact O-N 3.1Å; S332-N334 PolarHBondContact O-N 2.96Å; N334-I336 HydrophobicContact CB-CG1 4.41Å
335	G	95.1	Very high	92.6	Very high	27 Å²	27	16.3 Å²	16.3	28%	0.278	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	16.5	177	0	0	0	0	0	114.2	L331 S332 A333 P467	L331-G335 PolarHBondContact O-N 2.04Å; S332-G335 WeakPolarHBondContact O-CA 3.29Å; S332-G335 PolarHBondContact O-N 2.59Å; A333-G335 PolarHBondContact O-N 3.43Å; G335-P467 VanDerWaalsContact C-CG 3.44Å
336	I	97.8	Very high	92.7	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-95.6	120.3	-179.8	-46.7	-169.8	0	0	0	109.3	I303 L307 I310 L331 N334 L338	I303-I336 HydrophobicContact CG1-CD1 3.98Å; L307-I336 HydrophobicContact CB-CG2 4.46Å; L307-I336 WeakPolarHBondContact O-CG1 3.47Å; I310-I336 HydrophobicContact CD1-CG2 3.76Å; I310-I336 HydrophobicContact CG1-CG2 3.79Å; L331-I336 HydrophobicContact CB-CB 4.36Å; L331-I336 HydrophobicContact CD2-CD1 3.97Å; L331-I336 WeakPolarHBondContact O-CB 3.33Å; L331-I336 PolarHBondContact O-N 2.92Å; N334-I336 HydrophobicContact CB-CG1 4.41Å; I336-L338 PolarHBondContact O-N 2.81Å
337	L	98.3	Very high	92.7	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.8	175.6	178.4	54.8	0	0	0	110.1	H308 V309 I310 V339 L362 V430 P467 I470	H308-L337 PolarHBondContact O-N 2.99Å; V309-L337 CarbonylContact C-O 3.55Å; V309-L337 VanDerWaalsContact CA-O 3.25Å; V309-L337 WeakPolarHBondContact CA-O 3.34Å; V309-L337 HydrophobicContact CB-CB 4.45Å; V309-L337 HydrophobicContact CG2-CB 4.35Å; V309-L337 HydrophobicContact CG2-CG 4.46Å; V309-L337 WeakPolarHBondContact CG2-O 3.17Å; I310-L337 PolarHBondContact N-O 2.87Å; L337-V339 HydrophobicContact CD2-CG2 4.47Å; L337-V339 HydrophobicContact CG-CG2 4.21Å; L337-L362 HydrophobicContact CD1-CB 4.11Å; L337-V430 HydrophobicContact CD2-CG1 3.76Å; L337-V430 HydrophobicContact CD2-CG2 4.09Å; L337-P467 HydrophobicContact CB-CB 4.03Å; L337-P467 HydrophobicContact CB-CG 4.38Å; L337-P467 HydrophobicContact CD1-CB 3.96Å; L337-I470 HydrophobicContact CD2-CB 4.01Å; L337-I470 HydrophobicContact CD2-CG2 3.96Å
338	L	96.9	Very high	92.5	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.037	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.1	169.5	-168.7	64.6	0	0	0	109.6	I310 L312 V328 I336 P355 V361 L362	I310-L338 HydrophobicContact CB-CD1 3.73Å; I310-L338 HydrophobicContact CG2-CD1 3.52Å; L312-L338 HydrophobicContact CB-CD1 3.98Å; V328-L338 HydrophobicContact CB-CD2 4.46Å; V328-L338 HydrophobicContact CG1-CD2 3.68Å; V328-L338 HydrophobicContact CG2-CD2 3.99Å; I336-L338 PolarHBondContact O-N 2.81Å; L338-P355 HydrophobicContact CD2-CB 4.36Å; L338-P355 HydrophobicContact CD2-CG 3.79Å; L338-V361 HydrophobicContact CB-CG1 4.25Å; L338-V361 HydrophobicContact CB-CG2 4.24Å; L338-V361 HydrophobicContact CD2-CG1 4.18Å; L338-V361 HydrophobicContact CD2-CG2 3.83Å; L338-V361 HydrophobicContact CG-CG1 4.12Å; L338-V361 HydrophobicContact CG-CG2 4.41Å; L338-L362 PolarHBondContact O-N 3.44Å
339	V	98.2	Very high	92.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124	171	-173.7	0	0	0	0	107.6	V309 I310 L312 L337 L362 V364 S423 V426 T427 V430	V309-V339 HydrophobicContact CG2-CG2 3.74Å; I310-V339 PolarHBondContact O-N 2.7Å; L312-V339 PolarHBondContact N-O 3.19Å; L337-V339 HydrophobicContact CD2-CG2 4.47Å; L337-V339 HydrophobicContact CG-CG2 4.21Å; V339-L362 HydrophobicContact CG1-CD2 4.41Å; V339-L362 HydrophobicContact CG2-CB 4.44Å; V339-L362 HydrophobicContact CG2-CD2 4.11Å; V339-V364 HydrophobicContact CG1-CG2 3.72Å; V339-S423 PolarHBondContact O-OG 3.29Å; V339-V426 HydrophobicContact CG1-CB 4.12Å; V339-V426 HydrophobicContact CG1-CG1 3.91Å; V339-T427 WeakPolarHBondContact CB-OG1 3.23Å; V339-V430 HydrophobicContact CG2-CG2 4.36Å
340	S	95	Very high	92.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.8	-173.5	-165.1	0	0	0	0	112	L312 I314 L362 G363 V364	L312-S340 WeakPolarHBondContact O-CA 3.22Å; L312-S340 PolarHBondContact O-OG 3.19Å; I314-S340 PolarHBondContact O-OG 2.85Å; S340-L362 PolarHBondContact N-O 2.96Å; S340-G363 WeakPolarHBondContact O-CA 3.45Å; S340-V364 PolarHBondContact O-N 2.81Å
341	A	93	Very high	92.1	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.033	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136	171.5	0	0	0	0	0	110.5	L312 A356 T419	L312-A341 PolarHBondContact O-N 3.42Å; A341-A356 VanDerWaalsContact O-CB 3.26Å; A341-A356 WeakPolarHBondContact O-CB 3.48Å; A341-T419 VanDerWaalsContact CB-C 3.49Å; A341-T419 WeakPolarHBondContact CB-O 3.38Å
342	I	92.7	Very high	91.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.119	C	C	.	.			trans	-77.6	-15.3	-177.9	61.7	176.3	0	0	0	115.7	L352 N353 A356 V364 S378 P395 T419	I342-L352 HydrophobicContact CB-CD2 3.9Å; I342-L352 HydrophobicContact CD1-CD2 4.27Å; I342-L352 HydrophobicContact CG2-CD2 4.16Å; I342-N353 WeakPolarHBondContact O-CB 3.25Å; I342-N353 PolarHBondContact O-N 3.01Å; I342-A356 HydrophobicContact CB-CB 4.37Å; I342-A356 HydrophobicContact CG2-CB 3.92Å; I342-V364 WeakPolarHBondContact CG1-O 3.14Å; I342-V364 PolarHBondContact N-O 2.98Å; I342-S378 WeakPolarHBondContact CD1-O 3.27Å; I342-S378 WeakPolarHBondContact O-CB 3.34Å; I342-P395 HydrophobicContact CD1-CB 3.96Å; I342-P395 HydrophobicContact CD1-CG 3.92Å; I342-P395 HydrophobicContact CG2-CB 3.87Å; I342-T419 HydrophobicContact CG1-CG2 3.84Å
343	G	88.7	Confident	91.2	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.031	12%	0.119	C	C	.	.			trans	117.1	160.3	-175.6	0	0	0	0	0	113.1	N353 S378 T419	G343-N353 VanDerWaalsContact CA-ND2 3.27Å; G343-N353 WeakPolarHBondContact CA-ND2 3.4Å; G343-S378 VanDerWaalsContact CA-OG 3.31Å; G343-S378 WeakPolarHBondContact CA-OG 3.25Å; G343-S378 WeakPolarHBondContact O-CB 3.26Å; G343-S378 PolarHBondContact O-N 3.02Å; G343-S378 PolarHBondContact O-OG 2.66Å; G343-T419 PolarHBondContact N-OG1 2.84Å; G343-T419 WeakPolarHBondContact O-CG2 3.01Å; G343-T419 PolarHBondContact O-OG1 3.32Å
344	N	87.3	Confident	90.7	Very high	14 Å²	14	17.5 Å²	17.5	8%	0.075	11%	0.109	C	C	.	.	S	Bend	trans	-114.6	22.4	-177.9	-72.8	-13.9	0	0	0	111.8	L22 Y24 G346 F376 S378 T419	L22-N344 PolarHBondContact O-ND2 3.36Å; Y24-N344 HydrophobicContact CD2-CB 4.13Å; Y24-N344 HydrophobicContact CE2-CB 4.33Å; Y24-N344 WeakPolarHBondContact CE2-ND2 2.7Å; N344-G346 VanDerWaalsContact C-N 3.3Å; N344-G346 PolarHBondContact O-N 2.97Å; N344-F376 CarbonylContact C-O 3.07Å; N344-F376 WeakPolarHBondContact CA-O 3.34Å; N344-F376 HydrophobicContact CB-CB 4.43Å; N344-F376 HydrophobicContact CB-CD2 4.45Å; N344-F376 VanDerWaalsContact O-O 3.09Å; N344-F376 WeakPolarHBondContact OD1-CD2 3.26Å; N344-S378 PolarHBondContact N-OG 2.89Å; N344-T419 PolarHBondContact OD1-N 3.15Å; N344-T419 PolarHBondContact OD1-OG1 2.75Å; N344-T419 VanDerWaalsContact OD1-OG1 3.09Å
345	D	83.3	Confident	90.4	Very high	54 Å²	54	13.5 Å²	13.5	29%	0.289	9%	0.088	S	C	.	.			trans	-94.8	12	-170.7	-53	-65	0	0	0	111.9	T351 N353 F376 S378 W701	D345-T351 HydrophobicContact CB-CG2 4.45Å; D345-T351 VanDerWaalsContact O-CG2 3.3Å; D345-T351 WeakPolarHBondContact O-CG2 3.43Å; D345-N353 PolarHBondContact OD2-ND2 2.97Å; D345-F376 PolarHBondContact N-O 3.13Å; D345-S378 PolarHBondContact N-OG 2.86Å; D345-S378 VanDerWaalsContact N-OG 3.12Å; D345-W701 HydrophobicContact CB-CH2 3.94Å; D345-W701 HydrophobicContact CB-CZ2 4.33Å
346	G	86.7	Confident	90.3	Very high	17 Å²	17	12.2 Å²	12.2	18%	0.175	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	167.8	173.8	0	0	0	0	0	113.6	N344 R375 F376	N344-G346 VanDerWaalsContact C-N 3.3Å; N344-G346 PolarHBondContact O-N 2.97Å; G346-R375 CarbonylContact C-O 3.52Å; G346-R375 VanDerWaalsContact C-O 3.31Å; G346-F376 PolarHBondContact N-O 2.84Å
347	P	86.7	Confident	89.9	Confident	57 Å²	57	12.1 Å²	12.1	37%	0.37	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.8	15	16.2	38.4	-37	0	0	0	116.2	R375 R379	P347-R375 WeakPolarHBondContact CA-O 3.45Å; P347-R375 HydrophobicContact CB-CG 4.33Å; P347-R375 WeakPolarHBondContact CB-O 3.42Å; P347-R375 HydrophobicContact CG-CG 4.19Å; P347-R379 WeakPolarHBondContact O-CD 3.1Å
348	L	87.3	Confident	89.6	Confident	46 Å²	46	12.7 Å²	12.7	24%	0.241	8%	0.077	C	C	.	.	S	Bend	trans	-69.8	148.8	176.3	-62.2	174.6	0	0	0	110.8	T351 L702 T945	L348-T351 HydrophobicContact CB-CG2 3.75Å; L348-T351 WeakPolarHBondContact O-CG2 3.36Å; L348-T351 PolarHBondContact O-OG1 2.9Å; L348-L702 HydrophobicContact CD1-CD1 3.96Å; L348-T945 HydrophobicContact CD1-CG2 3.7Å
349	F	90.9	Very high	89.3	Confident	18 Å²	18	14.8 Å²	14.8	8%	0.079	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-78.9	152.1	172.9	-75.8	-107.1	0	0	0	109.5	R379 G380 F504 E505 W543 H707 T708 L711	F349-R379 HydrophobicContact CD1-CB 4.36Å; F349-R379 HydrophobicContact CG-CB 4.39Å; F349-G380 CarbonylContact C-O 3.4Å; F349-G380 VanDerWaalsContact CA-O 3.31Å; F349-G380 WeakPolarHBondContact CA-O 3.48Å; F349-G380 VanDerWaalsContact CB-O 3.24Å; F349-G380 WeakPolarHBondContact CB-O 3.27Å; F349-G380 WeakPolarHBondContact CD1-O 3.46Å; F349-F504 HydrophobicContact CD1-CB 4.31Å; F349-F504 HydrophobicContact CE1-CB 4.1Å; F349-E505 HydrophobicContact CE1-CG 3.86Å; F349-E505 HydrophobicContact CZ-CG 3.66Å; F349-W543 HydrophobicContact CD1-CE3 4.36Å; F349-W543 HydrophobicContact CD1-CH2 4.13Å; F349-W543 AromaticContact CD1-CZ3 3.49Å; F349-W543 HydrophobicContact CD1-CZ3 3.49Å; F349-W543 VanDerWaalsContact CD1-CZ3 3.49Å; F349-W543 AromaticContact CE1-CE3 3.78Å; F349-W543 HydrophobicContact CE1-CE3 3.78Å; F349-W543 HydrophobicContact CE1-CH2 4.22Å; F349-W543 AromaticContact CE1-CZ3 3.35Å; F349-W543 HydrophobicContact CE1-CZ3 3.35Å; F349-W543 HydrophobicContact CG-CH2 4.46Å; F349-W543 HydrophobicContact CG-CZ3 4.25Å; F349-W543 HydrophobicContact CZ-CE3 4.26Å; F349-W543 AromaticContact CZ-CZ3 3.98Å; F349-W543 HydrophobicContact CZ-CZ3 3.98Å; F349-H707 WeakPolarHBondContact CB-O 3.28Å; F349-T708 HydrophobicContact CB-CG2 4.27Å; F349-T708 WeakPolarHBondContact O-CB 3.44Å; F349-L711 HydrophobicContact CD2-CD2 3.35Å; F349-L711 HydrophobicContact CE2-CD2 3.55Å; F349-L711 HydrophobicContact CG-CD2 4.25Å
350	G	87.6	Confident	89	Confident	10 Å²	10	15.1 Å²	15.1	10%	0.103	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	14	-175.9	0	0	0	0	0	114.6	R379 G380	G350-R379 PolarHBondContact N-O 3.27Å; G350-G380 PolarHBondContact N-O 3.36Å
351	T	87.5	Confident	89	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.006	9%	0.09	C	C	.	.			trans	-98.2	17	-169.3	52.4	0	0	0	0	114.3	D345 L348 S378 R379 W701 L702	D345-T351 HydrophobicContact CB-CG2 4.45Å; D345-T351 VanDerWaalsContact O-CG2 3.3Å; D345-T351 WeakPolarHBondContact O-CG2 3.43Å; L348-T351 HydrophobicContact CB-CG2 3.75Å; L348-T351 WeakPolarHBondContact O-CG2 3.36Å; L348-T351 PolarHBondContact O-OG1 2.9Å; T351-S378 WeakPolarHBondContact O-CB 3.5Å; T351-S378 PolarHBondContact O-OG 2.63Å; T351-S378 WeakPolarHBondContact OG1-CA 3.04Å; T351-R379 PolarHBondContact N-O 3.15Å; T351-R379 PolarHBondContact OG1-N 3.05Å; T351-R379 PolarHBondContact OG1-O 2.99Å; T351-W701 HydrophobicContact CG2-CH2 4.04Å; T351-L702 HydrophobicContact CG2-CD2 3.75Å
352	L	88.4	Confident	89.2	Confident	7 Å²	7	15 Å²	15	4%	0.037	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-72.8	142	-175.1	-64.6	167.8	0	0	0	112.3	F319 I342 D357 G380 T382 K394	F319-L352 WeakPolarHBondContact CZ-O 3.17Å; I342-L352 HydrophobicContact CB-CD2 3.9Å; I342-L352 HydrophobicContact CD1-CD2 4.27Å; I342-L352 HydrophobicContact CG2-CD2 4.16Å; L352-D357 HydrophobicContact CB-CB 4.22Å; L352-G380 VanDerWaalsContact CD1-CA 3.45Å; L352-T382 HydrophobicContact CD1-CG2 3.64Å; L352-K394 HydrophobicContact CD1-CB 3.35Å; L352-K394 HydrophobicContact CD1-CG 4.26Å; L352-K394 HydrophobicContact CD2-CB 4.13Å; L352-K394 HydrophobicContact CG-CB 4.4Å
353	N	84.5	Confident	89.4	Confident	5 Å²	5	15 Å²	15	3%	0.027	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-102.7	151.4	178.6	-71.8	-27.2	0	0	0	113.8	I342 G343 D345 A356 D357	I342-N353 WeakPolarHBondContact O-CB 3.25Å; I342-N353 PolarHBondContact O-N 3.01Å; G343-N353 VanDerWaalsContact CA-ND2 3.27Å; G343-N353 WeakPolarHBondContact CA-ND2 3.4Å; D345-N353 PolarHBondContact OD2-ND2 2.97Å; N353-A356 PolarHBondContact O-N 3.15Å; N353-A356 VanDerWaalsContact O-N 3.13Å; N353-D357 PolarHBondContact O-N 3.11Å
354	N	83.2	Confident	89.8	Confident	7 Å²	7	14.9 Å²	14.9	4%	0.037	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-76.2	144.1	172.1	-154.5	-109.8	0	0	0	110.6	G315 G316 F319 D357 Q358	G315-N354 WeakPolarHBondContact CA-O 3.24Å; G316-N354 PolarHBondContact N-O 2.96Å; G316-N354 PolarHBondContact O-N 3.09Å; G316-N354 VanDerWaalsContact O-N 3.07Å; F319-N354 HydrophobicContact CD1-CB 3.34Å; F319-N354 WeakPolarHBondContact CD1-ND2 3.42Å; F319-N354 HydrophobicContact CE1-CB 3.49Å; F319-N354 VanDerWaalsContact CE1-CB 3.49Å; F319-N354 HydrophobicContact CG-CB 4.13Å; F319-N354 HydrophobicContact CZ-CB 4.4Å; N354-D357 WeakPolarHBondContact CA-OD1 3.47Å; N354-D357 PolarHBondContact ND2-OD1 3.31Å; N354-Q358 PolarHBondContact ND2-NE2 2.91Å; N354-Q358 PolarHBondContact OD1-NE2 3.29Å
355	P	90.5	Very high	90.3	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.013	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93	8.2	0.8	37.3	-36.8	0	0	0	114.9	L312 F324 V328 L338 D357 Q358 V361	L312-P355 HydrophobicContact CD2-CG 3.54Å; F324-P355 HydrophobicContact CE1-CB 4.1Å; F324-P355 HydrophobicContact CE1-CG 4.04Å; F324-P355 HydrophobicContact CZ-CG 4.36Å; V328-P355 HydrophobicContact CG1-CB 4.35Å; V328-P355 HydrophobicContact CG2-CB 4.15Å; V328-P355 HydrophobicContact CG2-CG 4.49Å; L338-P355 HydrophobicContact CD2-CB 4.36Å; L338-P355 HydrophobicContact CD2-CG 3.79Å; P355-D357 PolarHBondContact O-N 2.97Å; P355-Q358 HydrophobicContact CB-CG 4.44Å; P355-Q358 WeakPolarHBondContact O-CB 3.5Å; P355-Q358 WeakPolarHBondContact O-CG 3.34Å; P355-Q358 PolarHBondContact O-N 3.35Å; P355-Q358 VanDerWaalsContact O-N 3.08Å; P355-V361 HydrophobicContact CB-CG2 4.24Å; P355-V361 VanDerWaalsContact O-CB 3.26Å; P355-V361 WeakPolarHBondContact O-CB 3.43Å; P355-V361 WeakPolarHBondContact O-CG1 3.27Å; P355-V361 WeakPolarHBondContact O-CG2 3.49Å
356	A	92.1	Very high	90.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.7	-173.7	0	0	0	0	0	114	A341 I342 N353 G363 K394	A341-A356 VanDerWaalsContact O-CB 3.26Å; A341-A356 WeakPolarHBondContact O-CB 3.48Å; I342-A356 HydrophobicContact CB-CB 4.37Å; I342-A356 HydrophobicContact CG2-CB 3.92Å; N353-A356 PolarHBondContact O-N 3.15Å; N353-A356 VanDerWaalsContact O-N 3.13Å; A356-G363 WeakPolarHBondContact O-CA 3.23Å; A356-K394 WeakPolarHBondContact O-CE 3.41Å; A356-K394 PolarHBondContact O-NZ 3.27Å
357	D	90	Very high	91.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.2	175.7	67.5	-28.9	0	0	0	114.4	F319 L352 N353 N354 P355 T382 W384	F319-D357 WeakPolarHBondContact CD1-OD2 3.46Å; F319-D357 WeakPolarHBondContact CE1-OD2 3.38Å; L352-D357 HydrophobicContact CB-CB 4.22Å; N353-D357 PolarHBondContact O-N 3.11Å; N354-D357 WeakPolarHBondContact CA-OD1 3.47Å; N354-D357 PolarHBondContact ND2-OD1 3.31Å; P355-D357 PolarHBondContact O-N 2.97Å; D357-T382 HydrophobicContact CB-CG2 4.03Å; D357-W384 PolarHBondContact OD2-NE1 3.1Å
358	Q	90.6	Very high	91.3	Very high	14 Å²	14	8.1 Å²	8.1	7%	0.065	4%	0.043	C	C	.	.	S	Bend	trans	-69.2	148	179.2	-60.3	-173.1	27.4	0	0	112.1	N354 P355 D360 V361 K394	N354-Q358 PolarHBondContact ND2-NE2 2.91Å; N354-Q358 PolarHBondContact OD1-NE2 3.29Å; P355-Q358 HydrophobicContact CB-CG 4.44Å; P355-Q358 WeakPolarHBondContact O-CB 3.5Å; P355-Q358 WeakPolarHBondContact O-CG 3.34Å; P355-Q358 PolarHBondContact O-N 3.35Å; P355-Q358 VanDerWaalsContact O-N 3.08Å; Q358-D360 PolarHBondContact O-N 3.29Å; Q358-V361 HydrophobicContact CB-CB 4.38Å; Q358-V361 HydrophobicContact CB-CG2 3.95Å; Q358-V361 PolarHBondContact O-N 3.05Å; Q358-K394 WeakPolarHBondContact O-CE 3.46Å; Q358-K394 PolarHBondContact O-NZ 2.94Å
359	M	91.7	Very high	91.3	Very high	50 Å²	50	6.6 Å²	6.6	25%	0.246	4%	0.037	C	C	.	.	S	Bend	trans	-60.2	-42.7	-176	-69.2	-174.8	-107.3	0	0	113.3	V361 R392 K471 T562 V604	M359-V361 VanDerWaalsContact C-N 3.34Å; M359-R392 VanDerWaalsContact CE-NH1 3.31Å; M359-R392 PolarHBondContact SD-NH1 3.5Å; M359-K471 PolarHBondContact O-NZ 3.39Å; M359-T562 HydrophobicContact CB-CG2 4.33Å; M359-T562 HydrophobicContact CG-CG2 4.35Å; M359-T562 HydrophobicContact SD-CG2 4.45Å; M359-V604 HydrophobicContact CB-CB 4.33Å; M359-V604 HydrophobicContact CB-CG2 3.66Å
360	D	90.7	Very high	91	Very high	8 Å²	8	8.7 Å²	8.7	4%	0.043	5%	0.049	C	C	.	.	S	Bend	trans	-69.6	-29.5	-178.9	-78	-76.9	0	0	0	114.2	L329 S332 Q358 V604	L329-D360 WeakPolarHBondContact CD2-OD2 3.17Å; S332-D360 PolarHBondContact OG-OD1 3.2Å; Q358-D360 PolarHBondContact O-N 3.29Å; D360-V604 WeakPolarHBondContact OD2-CG2 3.38Å
361	V	94.9	Very high	90.9	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	5%	0.047	C	C	.	.	S	Bend	trans	-81.8	140.1	-174.1	-178.5	0	0	0	0	109.1	V328 L338 P355 Q358 M359 G363 K394 K471	V328-V361 HydrophobicContact CG1-CG2 3.53Å; L338-V361 HydrophobicContact CB-CG1 4.25Å; L338-V361 HydrophobicContact CB-CG2 4.24Å; L338-V361 HydrophobicContact CD2-CG1 4.18Å; L338-V361 HydrophobicContact CD2-CG2 3.83Å; L338-V361 HydrophobicContact CG-CG1 4.12Å; L338-V361 HydrophobicContact CG-CG2 4.41Å; P355-V361 HydrophobicContact CB-CG2 4.24Å; P355-V361 VanDerWaalsContact O-CB 3.26Å; P355-V361 WeakPolarHBondContact O-CB 3.43Å; P355-V361 WeakPolarHBondContact O-CG1 3.27Å; P355-V361 WeakPolarHBondContact O-CG2 3.49Å; Q358-V361 HydrophobicContact CB-CB 4.38Å; Q358-V361 HydrophobicContact CB-CG2 3.95Å; Q358-V361 PolarHBondContact O-N 3.05Å; M359-V361 VanDerWaalsContact C-N 3.34Å; V361-G363 PolarHBondContact O-N 3.41Å; V361-K394 PolarHBondContact O-NZ 3.47Å; V361-K471 PolarHBondContact O-NZ 3.16Å
362	L	97.8	Very high	91	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	96.5	169.5	-175.8	68.2	0	0	0	108.6	L337 L338 V339 S340 V364 D396 I397 V426 V430 K471 L474	L337-L362 HydrophobicContact CD1-CB 4.11Å; L338-L362 PolarHBondContact O-N 3.44Å; V339-L362 HydrophobicContact CG1-CD2 4.41Å; V339-L362 HydrophobicContact CG2-CB 4.44Å; V339-L362 HydrophobicContact CG2-CD2 4.11Å; S340-L362 PolarHBondContact N-O 2.96Å; L362-V364 HydrophobicContact CG-CG2 4.36Å; L362-D396 WeakPolarHBondContact CA-OD2 3.39Å; L362-D396 HydrophobicContact CD1-CB 3.83Å; L362-I397 HydrophobicContact CD1-CD1 4.07Å; L362-I397 HydrophobicContact CD1-CG1 4.29Å; L362-I397 HydrophobicContact CD2-CD1 4.22Å; L362-I397 HydrophobicContact CG-CD1 4.38Å; L362-V426 HydrophobicContact CD2-CG1 3.58Å; L362-V430 HydrophobicContact CD2-CG2 4.17Å; L362-K471 HydrophobicContact CD1-CD 4.24Å; L362-K471 HydrophobicContact CD1-CG 4.01Å; L362-L474 HydrophobicContact CD2-CD1 3.63Å
363	G	96.6	Very high	91.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122	177.9	0	0	0	0	0	111	S340 A356 V361 P395 D396	S340-G363 WeakPolarHBondContact O-CA 3.45Å; A356-G363 WeakPolarHBondContact O-CA 3.23Å; V361-G363 PolarHBondContact O-N 3.41Å; G363-P395 WeakPolarHBondContact O-CB 3.38Å; G363-D396 PolarHBondContact N-OD2 2.96Å; G363-D396 PolarHBondContact O-N 3.14Å
364	V	98.3	Very high	91.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.8	-172.9	-175.1	0	0	0	0	111.6	V339 S340 I342 L362 I397 T399 A422 V426	V339-V364 HydrophobicContact CG1-CG2 3.72Å; S340-V364 PolarHBondContact O-N 2.81Å; I342-V364 WeakPolarHBondContact CG1-O 3.14Å; I342-V364 PolarHBondContact N-O 2.98Å; L362-V364 HydrophobicContact CG-CG2 4.36Å; V364-I397 WeakPolarHBondContact CA-O 3.5Å; V364-I397 HydrophobicContact CG2-CG1 4.42Å; V364-T399 HydrophobicContact CG1-CG2 4.14Å; V364-A422 HydrophobicContact CG1-CB 3.74Å; V364-V426 HydrophobicContact CB-CG2 4.32Å; V364-V426 HydrophobicContact CG1-CB 4.29Å; V364-V426 HydrophobicContact CG1-CG2 3.49Å; V364-V426 VanDerWaalsContact CG1-CG2 3.49Å; V364-V426 HydrophobicContact CG2-CB 3.85Å; V364-V426 HydrophobicContact CG2-CG1 3.88Å; V364-V426 HydrophobicContact CG2-CG2 3.81Å
365	G	97	Very high	91.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	172.5	171.6	0	0	0	0	0	114	I397 V398 T399 A422	G365-I397 PolarHBondContact N-O 2.76Å; G365-V398 WeakPolarHBondContact O-CA 3.28Å; G365-T399 PolarHBondContact O-N 2.96Å; G365-A422 WeakPolarHBondContact O-CB 3.34Å
366	G	94.7	Very high	91.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.5	-172.7	0	0	0	0	0	114.1	A374 S377 T399 S401	G366-A374 WeakPolarHBondContact O-CB 3.42Å; G366-A374 PolarHBondContact O-N 3.08Å; G366-S377 PolarHBondContact N-OG 3.02Å; G366-T399 CarbonylContact C-O 3.49Å; G366-T399 WeakPolarHBondContact CA-O 3.4Å; G366-S401 WeakPolarHBondContact CA-OG 3.07Å
367	V	93.8	Very high	91.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	158.2	167.3	-58.8	0	0	0	0	112.5	R372 V398 T399 F400 S401 T402 L481 L510	V367-R372 CarbonylContact C-O 3.6Å; V367-R372 WeakPolarHBondContact CA-O 3.29Å; V367-R372 VanDerWaalsContact CB-O 3.3Å; V367-R372 WeakPolarHBondContact CB-O 3.2Å; V367-V398 HydrophobicContact CG1-CB 3.96Å; V367-V398 HydrophobicContact CG1-CG2 3.68Å; V367-T399 PolarHBondContact N-O 2.97Å; V367-F400 HydrophobicContact CG2-CD1 3.75Å; V367-F400 HydrophobicContact CG2-CE1 4.11Å; V367-F400 HydrophobicContact CG2-CG 4.25Å; V367-S401 PolarHBondContact N-OG 3.18Å; V367-S401 PolarHBondContact O-N 3.15Å; V367-S401 PolarHBondContact O-OG 3.4Å; V367-T402 PolarHBondContact O-OG1 3.43Å; V367-L481 HydrophobicContact CG1-CD1 4.11Å; V367-L481 HydrophobicContact CG1-CD2 4.25Å; V367-L510 HydrophobicContact CG2-CD1 3.84Å
368	D	90.3	Very high	91.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.			trans	-82.9	-178.7	171.8	85.2	-6.1	0	0	0	112.2	G156 T157 L158 L370 G371 R372 F400	G156-D368 VanDerWaalsContact CA-OD2 3.28Å; G156-D368 WeakPolarHBondContact CA-OD2 3.5Å; G156-D368 PolarHBondContact N-OD2 2.76Å; T157-D368 PolarHBondContact N-OD2 3.38Å; L158-D368 HydrophobicContact CB-CB 4.44Å; L158-D368 PolarHBondContact N-OD2 2.86Å; L158-D368 WeakPolarHBondContact O-CB 3.3Å; D368-L370 PolarHBondContact O-N 3.35Å; D368-L370 VanDerWaalsContact O-N 3.15Å; D368-L370 WeakPolarHBondContact OD1-CA 3.41Å; D368-L370 PolarHBondContact OD1-N 3.43Å; D368-G371 PolarHBondContact O-N 2.98Å; D368-G371 PolarHBondContact OD1-N 3.25Å; D368-R372 PolarHBondContact N-O 3.1Å; D368-R372 WeakPolarHBondContact OD1-CB 3.31Å; D368-R372 PolarHBondContact OD1-N 3.22Å; D368-R372 IonicContact OD1-NE 3.94Å; D368-R372 IonicContact OD2-CZ 2.68Å; D368-R372 VanDerWaalsContact OD2-CZ 3.25Å; D368-R372 IonicContact OD2-NE 3.99Å; D368-R372 PolarHBondContact OD2-NE 2.68Å; D368-R372 IonicContact OD2-NH2 2.79Å; D368-R372 PolarHBondContact OD2-NH2 3.32Å; D368-F400 WeakPolarHBondContact O-CD1 3.24Å
369	A	86.2	Confident	92	Very high	14 Å²	14	15.9 Å²	15.9	12%	0.116	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.5	-178.9	0	0	0	0	0	114.6	L158 P159 L160 V486	L158-A369 HydrophobicContact CB-CB 4.39Å; L158-A369 HydrophobicContact CD2-CB 3.98Å; L158-A369 HydrophobicContact CG-CB 4.02Å; L158-A369 WeakPolarHBondContact O-CB 3.33Å; L158-A369 PolarHBondContact O-N 2.84Å; P159-A369 VanDerWaalsContact O-CB 3.28Å; P159-A369 WeakPolarHBondContact O-CB 3.08Å; L160-A369 HydrophobicContact CD2-CB 3.79Å; L160-A369 HydrophobicContact CG-CB 4.49Å; A369-V486 WeakPolarHBondContact O-CG1 3.48Å
370	L	84	Confident	92	Very high	62 Å²	62	13.5 Å²	13.5	33%	0.325	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	15.3	172.3	-60.1	-178.2	0	0	0	112.6	L158 D368 R372 V486 T489	L158-L370 HydrophobicContact CD2-CD1 4Å; L158-L370 HydrophobicContact CD2-CD2 3.95Å; L158-L370 HydrophobicContact CD2-CG 3.56Å; D368-L370 PolarHBondContact O-N 3.35Å; D368-L370 VanDerWaalsContact O-N 3.15Å; D368-L370 WeakPolarHBondContact OD1-CA 3.41Å; D368-L370 PolarHBondContact OD1-N 3.43Å; L370-R372 HydrophobicContact CB-CG 4.19Å; L370-R372 PolarHBondContact O-N 2.91Å; L370-R372 VanDerWaalsContact O-N 3.1Å; L370-V486 VanDerWaalsContact CA-CG2 3.43Å; L370-V486 HydrophobicContact CB-CG2 4.24Å; L370-V486 HydrophobicContact CD2-CG1 4.27Å; L370-V486 WeakPolarHBondContact O-CG2 3.24Å; L370-T489 HydrophobicContact CD2-CG2 4.27Å
371	G	86.8	Confident	92	Very high	5 Å²	5	13.1 Å²	13.1	5%	0.052	6%	0.06	C	C	.	.	S	Bend	trans	64.4	15.2	-179.7	0	0	0	0	0	113.1	D368 L481	D368-G371 PolarHBondContact O-N 2.98Å; D368-G371 PolarHBondContact OD1-N 3.25Å; G371-L481 WeakPolarHBondContact O-CD1 3.08Å; G371-L481 WeakPolarHBondContact O-CD2 3.32Å
372	R	88.6	Confident	91.7	Very high	37 Å²	37	13.1 Å²	13.1	14%	0.14	6%	0.06	C	C	.	.	P	Polyproline II helix	trans	-82.2	141.6	172.7	-58.9	175	-61.2	-176.9	4.8	107.9	S154 V367 D368 L370 A374 D499	S154-R372 PolarHBondContact O-NH2 3.01Å; V367-R372 CarbonylContact C-O 3.6Å; V367-R372 WeakPolarHBondContact CA-O 3.29Å; V367-R372 VanDerWaalsContact CB-O 3.3Å; V367-R372 WeakPolarHBondContact CB-O 3.2Å; D368-R372 PolarHBondContact N-O 3.1Å; D368-R372 WeakPolarHBondContact OD1-CB 3.31Å; D368-R372 PolarHBondContact OD1-N 3.22Å; D368-R372 IonicContact OD1-NE 3.94Å; D368-R372 IonicContact OD2-CZ 2.68Å; D368-R372 VanDerWaalsContact OD2-CZ 3.25Å; D368-R372 IonicContact OD2-NE 3.99Å; D368-R372 PolarHBondContact OD2-NE 2.68Å; D368-R372 IonicContact OD2-NH2 2.79Å; D368-R372 PolarHBondContact OD2-NH2 3.32Å; L370-R372 HydrophobicContact CB-CG 4.19Å; L370-R372 PolarHBondContact O-N 2.91Å; L370-R372 VanDerWaalsContact O-N 3.1Å; R372-A374 PolarHBondContact O-N 3.17Å; R372-A374 VanDerWaalsContact O-N 3.14Å; R372-D499 WeakPolarHBondContact CD-OD1 3.41Å
373	V	91.9	Very high	90.8	Very high	9 Å²	9	13.8 Å²	13.8	6%	0.055	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-52.9	125	176.3	177.5	0	0	0	0	109.1	G156 R375 L481 S501 E505 Q506	G156-V373 WeakPolarHBondContact CA-O 3.32Å; V373-R375 PolarHBondContact O-N 3.1Å; V373-L481 HydrophobicContact CG2-CD1 3.6Å; V373-S501 WeakPolarHBondContact CG2-OG 3.29Å; V373-E505 HydrophobicContact CG1-CB 4.36Å; V373-E505 HydrophobicContact CG2-CB 4.03Å; V373-Q506 HydrophobicContact CG2-CB 4.42Å
374	A	91.7	Very high	90	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-62	139	-176.7	0	0	0	0	0	109	G156 G366 R372 F376 S377	G156-A374 CarbonylContact O-C 3.56Å; G156-A374 VanDerWaalsContact O-CA 3.27Å; G156-A374 WeakPolarHBondContact O-CA 3.47Å; G366-A374 WeakPolarHBondContact O-CB 3.42Å; G366-A374 PolarHBondContact O-N 3.08Å; R372-A374 PolarHBondContact O-N 3.17Å; R372-A374 VanDerWaalsContact O-N 3.14Å; A374-F376 VanDerWaalsContact C-N 3.28Å; A374-F376 HydrophobicContact CB-CD1 4.25Å; A374-F376 HydrophobicContact CB-CD2 4.36Å; A374-F376 HydrophobicContact CB-CE1 3.77Å; A374-F376 HydrophobicContact CB-CE2 3.87Å; A374-F376 HydrophobicContact CB-CZ 3.56Å; A374-F376 PolarHBondContact O-N 3.5Å; A374-S377 WeakPolarHBondContact O-CB 3.45Å; A374-S377 PolarHBondContact O-N 3.05Å
375	R	89.9	Confident	89.3	Confident	115 Å²	115	18.8 Å²	18.8	43%	0.434	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-43.3	-172.8	-173.9	175.2	171.3	-178.8	-3.4	111.9	G156 T157 G346 P347 V373 S377 R379	G156-R375 PolarHBondContact O-N 3.11Å; T157-R375 HydrophobicContact CG2-CB 3.98Å; G346-R375 CarbonylContact C-O 3.52Å; G346-R375 VanDerWaalsContact C-O 3.31Å; P347-R375 WeakPolarHBondContact CA-O 3.45Å; P347-R375 HydrophobicContact CB-CG 4.33Å; P347-R375 WeakPolarHBondContact CB-O 3.42Å; P347-R375 HydrophobicContact CG-CG 4.19Å; V373-R375 PolarHBondContact O-N 3.1Å; R375-S377 VanDerWaalsContact C-N 3.28Å; R375-S377 PolarHBondContact O-N 3.33Å; R375-R379 PolarHBondContact O-NH1 2.76Å
376	F	88.7	Confident	88.5	Confident	15 Å²	15	19 Å²	19	7%	0.066	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.5	176.3	59.6	-103.7	0	0	0	113.6	M21 N344 D345 G346 A374 S378 S401 T419	M21-F376 HydrophobicContact CG-CD1 4.18Å; M21-F376 HydrophobicContact SD-CB 4.3Å; M21-F376 HydrophobicContact SD-CD1 3.98Å; N344-F376 CarbonylContact C-O 3.07Å; N344-F376 WeakPolarHBondContact CA-O 3.34Å; N344-F376 HydrophobicContact CB-CB 4.43Å; N344-F376 HydrophobicContact CB-CD2 4.45Å; N344-F376 VanDerWaalsContact O-O 3.09Å; N344-F376 WeakPolarHBondContact OD1-CD2 3.26Å; D345-F376 PolarHBondContact N-O 3.13Å; G346-F376 PolarHBondContact N-O 2.84Å; A374-F376 VanDerWaalsContact C-N 3.28Å; A374-F376 HydrophobicContact CB-CD1 4.25Å; A374-F376 HydrophobicContact CB-CD2 4.36Å; A374-F376 HydrophobicContact CB-CE1 3.77Å; A374-F376 HydrophobicContact CB-CE2 3.87Å; A374-F376 HydrophobicContact CB-CZ 3.56Å; A374-F376 PolarHBondContact O-N 3.5Å; F376-S378 PolarHBondContact O-N 3.49Å; F376-S378 VanDerWaalsContact O-N 3.12Å; F376-S401 WeakPolarHBondContact CZ-O 3.25Å; F376-S401 VanDerWaalsContact CZ-OG 3.31Å; F376-S401 WeakPolarHBondContact CZ-OG 3.45Å; F376-T419 HydrophobicContact CE2-CG2 4.38Å
377	S	93.2	Very high	87.4	Confident	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-59.3	122.7	-174.7	-172.2	0	0	0	0	109.6	G366 A374 R375 R379	G366-S377 PolarHBondContact N-OG 3.02Å; A374-S377 WeakPolarHBondContact O-CB 3.45Å; A374-S377 PolarHBondContact O-N 3.05Å; R375-S377 VanDerWaalsContact C-N 3.28Å; R375-S377 PolarHBondContact O-N 3.33Å; S377-R379 PolarHBondContact O-NH1 3.26Å
378	S	93	Very high	86.5	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.			trans	-56.1	155.6	172.6	-70.6	0	0	0	0	110.9	I342 G343 N344 D345 T351 F376	I342-S378 WeakPolarHBondContact CD1-O 3.27Å; I342-S378 WeakPolarHBondContact O-CB 3.34Å; G343-S378 VanDerWaalsContact CA-OG 3.31Å; G343-S378 WeakPolarHBondContact CA-OG 3.25Å; G343-S378 WeakPolarHBondContact O-CB 3.26Å; G343-S378 PolarHBondContact O-N 3.02Å; G343-S378 PolarHBondContact O-OG 2.66Å; N344-S378 PolarHBondContact N-OG 2.89Å; D345-S378 PolarHBondContact N-OG 2.86Å; D345-S378 VanDerWaalsContact N-OG 3.12Å; T351-S378 WeakPolarHBondContact O-CB 3.5Å; T351-S378 PolarHBondContact O-OG 2.63Å; T351-S378 WeakPolarHBondContact OG1-CA 3.04Å; F376-S378 PolarHBondContact O-N 3.49Å; F376-S378 VanDerWaalsContact O-N 3.12Å
379	R	93	Very high	85.9	Confident	18 Å²	18	20.6 Å²	20.6	7%	0.068	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-133.1	144.4	-175.8	-65.1	166	167.4	76.2	-13.2	109.1	P347 F349 G350 T351 R375 S377 E505	P347-R379 WeakPolarHBondContact O-CD 3.1Å; F349-R379 HydrophobicContact CD1-CB 4.36Å; F349-R379 HydrophobicContact CG-CB 4.39Å; G350-R379 PolarHBondContact N-O 3.27Å; T351-R379 PolarHBondContact N-O 3.15Å; T351-R379 PolarHBondContact OG1-N 3.05Å; T351-R379 PolarHBondContact OG1-O 2.99Å; R375-R379 PolarHBondContact O-NH1 2.76Å; S377-R379 PolarHBondContact O-NH1 3.26Å; R379-E505 HydrophobicContact CB-CG 4.36Å; R379-E505 HydrophobicContact CG-CB 4.25Å; R379-E505 HydrophobicContact CG-CG 3.83Å; R379-E505 IonicContact CZ-OE1 3.52Å; R379-E505 IonicContact NE-OE1 3.58Å; R379-E505 PolarHBondContact NE-OE1 2.78Å; R379-E505 IonicContact NH2-OE1 3.85Å
380	G	91.1	Very high	86.1	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.			trans	-65.6	-170.2	169.5	0	0	0	0	0	112.3	F349 G350 L352 K394 F504	F349-G380 CarbonylContact C-O 3.4Å; F349-G380 VanDerWaalsContact CA-O 3.31Å; F349-G380 WeakPolarHBondContact CA-O 3.48Å; F349-G380 VanDerWaalsContact CB-O 3.24Å; F349-G380 WeakPolarHBondContact CB-O 3.27Å; F349-G380 WeakPolarHBondContact CD1-O 3.46Å; G350-G380 PolarHBondContact N-O 3.36Å; L352-G380 VanDerWaalsContact CD1-CA 3.45Å; G380-K394 PolarHBondContact N-O 3.45Å; G380-F504 PolarHBondContact N-O 3.05Å
381	M	90.5	Very high	86.3	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.082	C	C	.	.			cis	-73.2	166.8	-2.3	64.7	-159.2	75.9	0	0	113	L386 G391 F504 P544 H707	M381-L386 HydrophobicContact CG-CD2 3.47Å; M381-L386 VanDerWaalsContact CG-CD2 3.47Å; M381-L386 HydrophobicContact CG-CG 4.36Å; M381-L386 HydrophobicContact SD-CD2 3.43Å; M381-L386 WeakPolarHBondContact SD-CD2 3.23Å; M381-G391 PolarHBondContact SD-N 2.99Å; M381-F504 HydrophobicContact CB-CD1 3.52Å; M381-F504 HydrophobicContact CB-CE1 3.4Å; M381-F504 HydrophobicContact CB-CG 4.41Å; M381-F504 HydrophobicContact CB-CZ 4.24Å; M381-P544 HydrophobicContact CE-CG 4.19Å; M381-H707 HydrophobicContact CE-CB 3.74Å
382	T	87.9	Confident	86.6	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.006	8%	0.081	C	C	.	.			trans	-67	140.8	175.8	49.6	0	0	0	0	111.5	L352 D357 W384 E385 G391 R392 K394	L352-T382 HydrophobicContact CD1-CG2 3.64Å; D357-T382 HydrophobicContact CB-CG2 4.03Å; T382-W384 VanDerWaalsContact C-N 3.29Å; T382-W384 PolarHBondContact O-N 3.27Å; T382-E385 PolarHBondContact OG1-OE2 3.4Å; T382-G391 VanDerWaalsContact O-CA 3.28Å; T382-G391 WeakPolarHBondContact O-CA 3.44Å; T382-R392 PolarHBondContact N-O 2.92Å; T382-R392 VanDerWaalsContact N-O 3.13Å; T382-R392 WeakPolarHBondContact OG1-CA 3.36Å; T382-R392 WeakPolarHBondContact OG1-CB 3.02Å; T382-R392 PolarHBondContact OG1-N 3.5Å; T382-R392 PolarHBondContact OG1-O 3.06Å; T382-K394 HydrophobicContact CG2-CB 4.05Å; T382-K394 HydrophobicContact CG2-CG 3.73Å
383	G	80.6	Confident	86.9	Confident	13 Å²	13	16.7 Å²	16.7	13%	0.134	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-66.4	-26.7	177.5	0	0	0	0	0	114.3	E385 L386	G383-E385 PolarHBondContact O-N 3.24Å; G383-E385 VanDerWaalsContact O-N 3.11Å; G383-L386 PolarHBondContact O-N 2.65Å; G383-L386 VanDerWaalsContact O-N 3.17Å
384	W	79.3	Confident	87.1	Confident	81 Å²	81	16.3 Å²	16.3	31%	0.307	7%	0.074	S	C	.	.	G	3₁₀ helix	trans	-53.2	-34.6	-174.9	-68.3	90.6	0	0	0	115.3	F319 D357 T382 Y682	F319-W384 HydrophobicContact CB-CH2 4.22Å; F319-W384 HydrophobicContact CB-CZ2 3.75Å; F319-W384 HydrophobicContact CD1-CZ2 4.22Å; F319-W384 HydrophobicContact CG-CZ2 4.36Å; D357-W384 PolarHBondContact OD2-NE1 3.1Å; T382-W384 VanDerWaalsContact C-N 3.29Å; T382-W384 PolarHBondContact O-N 3.27Å; W384-Y682 AromaticContact CD1-CE1 3.86Å; W384-Y682 AromaticContact CD2-CE1 3.88Å; W384-Y682 HydrophobicContact CD2-CE1 3.88Å; W384-Y682 AromaticContact CE2-CE1 3.92Å; W384-Y682 HydrophobicContact CE3-CE1 4.49Å; W384-Y682 HydrophobicContact CG-CD1 4.41Å; W384-Y682 AromaticContact CG-CE1 3.88Å; W384-Y682 HydrophobicContact CG-CE1 3.88Å; W384-Y682 AromaticContact NE1-CE1 3.86Å
385	E	84.1	Confident	87.3	Confident	25 Å²	25	16.3 Å²	16.3	12%	0.117	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-110.7	0.4	-176.2	-53	81.1	-176.2	0	0	113.2	T382 G383 A388 G389 R392 N560	T382-E385 PolarHBondContact OG1-OE2 3.4Å; G383-E385 PolarHBondContact O-N 3.24Å; G383-E385 VanDerWaalsContact O-N 3.11Å; E385-A388 WeakPolarHBondContact O-CB 3.35Å; E385-A388 PolarHBondContact O-N 2.84Å; E385-A388 VanDerWaalsContact O-N 3.15Å; E385-G389 PolarHBondContact O-N 2.98Å; E385-R392 IonicContact OE1-CZ 3.76Å; E385-R392 IonicContact OE1-NH1 2.71Å; E385-R392 PolarHBondContact OE1-NH1 3.35Å; E385-R392 IonicContact OE1-NH2 3.49Å; E385-R392 PolarHBondContact OE1-NH2 3.34Å; E385-R392 PolarHBondContact OE2-N 3.4Å; E385-R392 IonicContact OE2-NH2 2.77Å; E385-N560 WeakPolarHBondContact CB-ND2 3.48Å
386	L	79.9	Confident	87.7	Confident	4 Å²	4	11 Å²	11	2%	0.021	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-57.9	-41.5	178	-71.8	-178.9	0	0	0	113.5	M381 G383 A388 G389 H705 T708	M381-L386 HydrophobicContact CG-CD2 3.47Å; M381-L386 VanDerWaalsContact CG-CD2 3.47Å; M381-L386 HydrophobicContact CG-CG 4.36Å; M381-L386 HydrophobicContact SD-CD2 3.43Å; M381-L386 WeakPolarHBondContact SD-CD2 3.23Å; G383-L386 PolarHBondContact O-N 2.65Å; G383-L386 VanDerWaalsContact O-N 3.17Å; L386-A388 PolarHBondContact O-N 2.93Å; L386-A388 VanDerWaalsContact O-N 3.12Å; L386-G389 CarbonylContact O-C 3.5Å; L386-G389 WeakPolarHBondContact O-CA 3.28Å; L386-G389 PolarHBondContact O-N 3.34Å; L386-H705 HydrophobicContact CD1-CB 4.34Å; L386-H705 HydrophobicContact CD2-CB 4.29Å; L386-T708 HydrophobicContact CD1-CG2 4.24Å
387	P	71.4	Confident	88.2	Confident	21 Å²	21	10.3 Å²	10.3	14%	0.136	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-58.2	-28.6	177.4	-28.9	38.3	0	0	0	114	H681	P387-H681 HydrophobicContact CG-CB 4.22Å
388	A	74.4	Confident	88.4	Confident	13 Å²	13	10.3 Å²	10.3	11%	0.107	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-84.3	-13.9	177	0	0	0	0	0	113.2	E385 L386 I558 T728 I1228	E385-A388 WeakPolarHBondContact O-CB 3.35Å; E385-A388 PolarHBondContact O-N 2.84Å; E385-A388 VanDerWaalsContact O-N 3.15Å; L386-A388 PolarHBondContact O-N 2.93Å; L386-A388 VanDerWaalsContact O-N 3.12Å; A388-I558 WeakPolarHBondContact O-CD1 3.05Å; A388-T728 WeakPolarHBondContact O-CB 3.35Å; A388-T728 WeakPolarHBondContact O-CG2 3.38Å; A388-T728 PolarHBondContact O-OG1 2.61Å; A388-I1228 WeakPolarHBondContact CB-O 3.43Å
389	G	78.4	Confident	88.6	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	143.2	-87.7	-177	0	0	0	0	0	111.8	E385 L386 H705	E385-G389 PolarHBondContact O-N 2.98Å; L386-G389 CarbonylContact O-C 3.5Å; L386-G389 WeakPolarHBondContact O-CA 3.28Å; L386-G389 PolarHBondContact O-N 3.34Å; G389-H705 PolarHBondContact O-CD2 3.43Å; G389-H705 PolarHBondContact O-NE2 2.88Å
390	Y	89	Confident	88.7	Confident	19 Å²	19	10 Å²	10	8%	0.075	5%	0.05	C	C	.	.			trans	-120.3	135.5	-169.7	-59.8	-105.5	0	0	0	110.1	P544 Y545 I557 I558 N560 H707	Y390-P544 HydrophobicContact CD1-CG 4.08Å; Y390-P544 HydrophobicContact CE1-CG 4.1Å; Y390-Y545 HydrophobicContact CD1-CD1 4.23Å; Y390-Y545 AromaticContact CD1-CE1 3.52Å; Y390-Y545 HydrophobicContact CD1-CE1 3.52Å; Y390-Y545 HydrophobicContact CE1-CD1 4.34Å; Y390-Y545 HydrophobicContact CE1-CE1 4.07Å; Y390-Y545 AromaticContact CG-CE1 3.81Å; Y390-Y545 HydrophobicContact CG-CE1 3.81Å; Y390-I557 HydrophobicContact CE2-CB 4.27Å; Y390-I558 VanDerWaalsContact CB-O 3.27Å; Y390-I558 WeakPolarHBondContact CB-O 3.25Å; Y390-I558 HydrophobicContact CD2-CB 4.07Å; Y390-I558 WeakPolarHBondContact CD2-O 3.4Å; Y390-N560 PolarHBondContact O-ND2 2.78Å; Y390-H707 AromaticContact CE1-CE1 3.49Å; Y390-H707 VanDerWaalsContact CE1-CE1 3.49Å; Y390-H707 WeakPolarHBondContact CE1-CE1 3.44Å; Y390-H707 AromaticContact CE1-ND1 3.71Å
391	G	89.8	Confident	88.8	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	P	Polyproline II helix	trans	-68	163.4	176.8	0	0	0	0	0	114.1	M381 T382	M381-G391 PolarHBondContact SD-N 2.99Å; T382-G391 VanDerWaalsContact O-CA 3.28Å; T382-G391 WeakPolarHBondContact O-CA 3.44Å
392	R	92.4	Very high	88.9	Confident	12 Å²	12	10.4 Å²	10.4	5%	0.045	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-73.7	152.3	171.8	171.6	-179.8	48.8	-104.8	-14	111.8	M359 T382 E385 K394 N560 T562	M359-R392 VanDerWaalsContact CE-NH1 3.31Å; M359-R392 PolarHBondContact SD-NH1 3.5Å; T382-R392 PolarHBondContact N-O 2.92Å; T382-R392 VanDerWaalsContact N-O 3.13Å; T382-R392 WeakPolarHBondContact OG1-CA 3.36Å; T382-R392 WeakPolarHBondContact OG1-CB 3.02Å; T382-R392 PolarHBondContact OG1-N 3.5Å; T382-R392 PolarHBondContact OG1-O 3.06Å; E385-R392 IonicContact OE1-CZ 3.76Å; E385-R392 IonicContact OE1-NH1 2.71Å; E385-R392 PolarHBondContact OE1-NH1 3.35Å; E385-R392 IonicContact OE1-NH2 3.49Å; E385-R392 PolarHBondContact OE1-NH2 3.34Å; E385-R392 PolarHBondContact OE2-N 3.4Å; E385-R392 IonicContact OE2-NH2 2.77Å; R392-K394 PolarHBondContact O-N 2.71Å; R392-N560 HydrophobicContact CB-CB 4.27Å; R392-T562 WeakPolarHBondContact CD-OG1 3.28Å
393	V	94.8	Very high	88.9	Confident	4 Å²	4	10.4 Å²	10.4	2%	0.024	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-66.4	122.1	175.6	-175.8	0	0	0	0	111.5	M503 F504 M530 P531	V393-M503 HydrophobicContact CB-SD 4.31Å; V393-M503 HydrophobicContact CG1-CB 4.11Å; V393-M503 HydrophobicContact CG1-CG 3.9Å; V393-M503 WeakPolarHBondContact CG1-O 3.28Å; V393-M503 HydrophobicContact CG1-SD 4.01Å; V393-M503 HydrophobicContact CG2-CG 4.01Å; V393-M503 HydrophobicContact CG2-SD 3.3Å; V393-M503 WeakPolarHBondContact CG2-SD 3.33Å; V393-F504 HydrophobicContact CB-CE1 4.28Å; V393-F504 HydrophobicContact CG2-CD1 4.4Å; V393-F504 HydrophobicContact CG2-CE1 3.81Å; V393-F504 HydrophobicContact CG2-CZ 4.01Å; V393-M530 HydrophobicContact CG1-CE 4.33Å; V393-P531 HydrophobicContact CG2-CG 4.49Å
394	K	95.5	Very high	89.4	Confident	1 Å²	1	9.8 Å²	9.8	0%	0.004	5%	0.046	C	C	.	.			trans	-152.4	151.2	169.1	-80.7	-65.6	-175.9	151.6	0	108.4	L352 A356 Q358 V361 G380 T382 R392 D396 F504	L352-K394 HydrophobicContact CD1-CB 3.35Å; L352-K394 HydrophobicContact CD1-CG 4.26Å; L352-K394 HydrophobicContact CD2-CB 4.13Å; L352-K394 HydrophobicContact CG-CB 4.4Å; A356-K394 WeakPolarHBondContact O-CE 3.41Å; A356-K394 PolarHBondContact O-NZ 3.27Å; Q358-K394 WeakPolarHBondContact O-CE 3.46Å; Q358-K394 PolarHBondContact O-NZ 2.94Å; V361-K394 PolarHBondContact O-NZ 3.47Å; G380-K394 PolarHBondContact N-O 3.45Å; T382-K394 HydrophobicContact CG2-CB 4.05Å; T382-K394 HydrophobicContact CG2-CG 3.73Å; R392-K394 PolarHBondContact O-N 2.71Å; K394-D396 IonicContact NZ-OD1 3.28Å; K394-D396 IonicContact NZ-OD2 3.07Å; K394-D396 PolarHBondContact NZ-OD2 3.33Å; K394-F504 CarbonylContact O-C 3.59Å
395	P	97.2	Very high	89.8	Confident	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.			cis	-60.6	169	-1.4	23.9	-32.9	0	0	0	113.7	I342 G363 V398 E505 G507	I342-P395 HydrophobicContact CD1-CB 3.96Å; I342-P395 HydrophobicContact CD1-CG 3.92Å; I342-P395 HydrophobicContact CG2-CB 3.87Å; G363-P395 WeakPolarHBondContact O-CB 3.38Å; P395-V398 HydrophobicContact CG-CG1 3.95Å; P395-E505 WeakPolarHBondContact CG-O 3.28Å; P395-G507 WeakPolarHBondContact O-CA 3.33Å
396	D	98.1	Very high	90.1	Very high	5 Å²	5	5.7 Å²	5.7	3%	0.027	3%	0.031	C	C	.	.	S	Bend	trans	-74.6	-40.5	170.7	-62.3	-71.4	0	0	0	110.8	L362 G363 K394 K471 A508	L362-D396 WeakPolarHBondContact CA-OD2 3.39Å; L362-D396 HydrophobicContact CD1-CB 3.83Å; G363-D396 PolarHBondContact N-OD2 2.96Å; G363-D396 PolarHBondContact O-N 3.14Å; K394-D396 IonicContact NZ-OD1 3.28Å; K394-D396 IonicContact NZ-OD2 3.07Å; K394-D396 PolarHBondContact NZ-OD2 3.33Å; D396-K471 WeakPolarHBondContact OD1-CE 3.31Å; D396-K471 IonicContact OD1-NZ 3.55Å; D396-K471 PolarHBondContact OD1-NZ 2.79Å; D396-K471 IonicContact OD2-NZ 3.13Å; D396-K471 PolarHBondContact OD2-NZ 3.48Å; D396-A508 PolarHBondContact O-N 3.02Å
397	I	97.9	Very high	90.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	166	-177.6	59.7	-179.4	0	0	0	110.6	L362 V364 G365 V426 L474 I475 A478 A508 V511	L362-I397 HydrophobicContact CD1-CD1 4.07Å; L362-I397 HydrophobicContact CD1-CG1 4.29Å; L362-I397 HydrophobicContact CD2-CD1 4.22Å; L362-I397 HydrophobicContact CG-CD1 4.38Å; V364-I397 WeakPolarHBondContact CA-O 3.5Å; V364-I397 HydrophobicContact CG2-CG1 4.42Å; G365-I397 PolarHBondContact N-O 2.76Å; I397-V426 HydrophobicContact CD1-CG1 3.95Å; I397-V426 HydrophobicContact CD1-CG2 4.19Å; I397-L474 HydrophobicContact CD1-CB 4.24Å; I397-L474 HydrophobicContact CD1-CD1 4.05Å; I397-I475 HydrophobicContact CG2-CG1 4.36Å; I397-A478 HydrophobicContact CG2-CB 4.45Å; I397-A508 HydrophobicContact CG2-CB 4.33Å; I397-V511 HydrophobicContact CD1-CG2 3.83Å; I397-V511 HydrophobicContact CG1-CG2 4.46Å
398	V	97.6	Very high	91.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.5	174.2	-62.9	0	0	0	0	113.1	G365 V367 P395 L481 Q506 G509 L510 V511	G365-V398 WeakPolarHBondContact O-CA 3.28Å; V367-V398 HydrophobicContact CG1-CB 3.96Å; V367-V398 HydrophobicContact CG1-CG2 3.68Å; P395-V398 HydrophobicContact CG-CG1 3.95Å; V398-L481 HydrophobicContact CG2-CD1 4.3Å; V398-L481 HydrophobicContact CG2-CD2 4.04Å; V398-L481 HydrophobicContact CG2-CG 4.45Å; V398-Q506 HydrophobicContact CG2-CB 4.44Å; V398-G509 PolarHBondContact N-O 2.84Å; V398-L510 WeakPolarHBondContact O-CA 3.41Å; V398-V511 PolarHBondContact O-N 3.05Å
399	T	96.9	Very high	92	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	174.4	170.3	-160.8	0	0	0	0	111.9	V364 G365 G366 V367 S401 A422 I425 V426	V364-T399 HydrophobicContact CG1-CG2 4.14Å; G365-T399 PolarHBondContact O-N 2.96Å; G366-T399 CarbonylContact C-O 3.49Å; G366-T399 WeakPolarHBondContact CA-O 3.4Å; V367-T399 PolarHBondContact N-O 2.97Å; T399-S401 PolarHBondContact O-N 3.42Å; T399-A422 HydrophobicContact CG2-CB 3.76Å; T399-A422 WeakPolarHBondContact CG2-O 3.43Å; T399-I425 HydrophobicContact CG2-CB 3.97Å; T399-I425 HydrophobicContact CG2-CD1 4.48Å; T399-I425 HydrophobicContact CG2-CG2 3.79Å; T399-V426 HydrophobicContact CG2-CG2 3.77Å
400	F	95.1	Very high	92.3	Very high	12 Å²	12	13.4 Å²	13.4	5%	0.053	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	132.9	-175.6	-61	-75.6	0	0	0	112	L160 P166 L169 L170 V367 D368 I425 L510	L160-F400 HydrophobicContact CD1-CB 4.09Å; L160-F400 HydrophobicContact CD2-CD1 3.91Å; L160-F400 HydrophobicContact CD2-CE1 4.45Å; L160-F400 HydrophobicContact CD2-CG 4.36Å; P166-F400 HydrophobicContact CB-CB 4.43Å; P166-F400 HydrophobicContact CB-CD2 4.45Å; P166-F400 HydrophobicContact CG-CB 4.06Å; L169-F400 HydrophobicContact CB-CD2 4.2Å; L169-F400 HydrophobicContact CB-CE2 3.54Å; L169-F400 HydrophobicContact CB-CZ 3.97Å; L169-F400 HydrophobicContact CD1-CD1 4.12Å; L169-F400 HydrophobicContact CD1-CD2 4.08Å; L169-F400 HydrophobicContact CD1-CE1 3.8Å; L169-F400 HydrophobicContact CD1-CE2 3.76Å; L169-F400 HydrophobicContact CD1-CG 4.25Å; L169-F400 HydrophobicContact CD1-CZ 3.62Å; L169-F400 HydrophobicContact CG-CE2 4.3Å; L169-F400 HydrophobicContact CG-CZ 4.37Å; L170-F400 HydrophobicContact CD2-CD2 4.42Å; L170-F400 HydrophobicContact CD2-CE2 4Å; L170-F400 HydrophobicContact CG-CE2 4.45Å; V367-F400 HydrophobicContact CG2-CD1 3.75Å; V367-F400 HydrophobicContact CG2-CE1 4.11Å; V367-F400 HydrophobicContact CG2-CG 4.25Å; D368-F400 WeakPolarHBondContact O-CD1 3.24Å; F400-I425 WeakPolarHBondContact O-CD1 3.4Å; F400-L510 HydrophobicContact CE2-CD1 4.36Å; F400-L510 HydrophobicContact CE2-CD2 4.42Å; F400-L510 HydrophobicContact CZ-CD1 4.45Å; F400-L510 HydrophobicContact CZ-CD2 4.1Å
401	S	94.5	Very high	91.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.			trans	-143.1	1.4	-173.1	66.9	0	0	0	0	114.6	G366 V367 F376 T399 S417 G418	G366-S401 WeakPolarHBondContact CA-OG 3.07Å; V367-S401 PolarHBondContact N-OG 3.18Å; V367-S401 PolarHBondContact O-N 3.15Å; V367-S401 PolarHBondContact O-OG 3.4Å; F376-S401 WeakPolarHBondContact CZ-O 3.25Å; F376-S401 VanDerWaalsContact CZ-OG 3.31Å; F376-S401 WeakPolarHBondContact CZ-OG 3.45Å; T399-S401 PolarHBondContact O-N 3.42Å; S401-S417 CarbonylContact O-C 3.38Å; S401-S417 WeakPolarHBondContact O-CA 3.31Å; S401-G418 WeakPolarHBondContact CB-O 3.32Å; S401-G418 PolarHBondContact O-N 2.91Å
402	T	91.2	Very high	91.4	Very high	8 Å²	8	17.9 Å²	17.9	5%	0.049	10%	0.095	C	C	.	.	S	Bend	trans	-113.6	118.8	-174.3	-50.3	0	0	0	0	110.7	L160 V367	L160-T402 PolarHBondContact N-O 2.84Å; V367-T402 PolarHBondContact O-OG1 3.43Å
403	G	88.6	Confident	90.8	Very high	1 Å²	1	19 Å²	19	1%	0.01	11%	0.105	C	C	.	.	S	Bend	trans	65.5	40.3	179.3	0	0	0	0	0	113.7	S417	G403-S417 PolarHBondContact N-OG 3.09Å
404	V	90.6	Very high	90.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.6	-179.5	-179.3	0	0	0	0	109.7	L160 P166 Y238 L242 V415 L416 V421 I425	L160-V404 HydrophobicContact CD1-CG2 3.84Å; P166-V404 HydrophobicContact CG-CG1 3.84Å; P166-V404 HydrophobicContact CG-CG2 4.04Å; Y238-V404 PolarHBondContact OH-O 3.34Å; L242-V404 HydrophobicContact CD2-CG1 3.68Å; V404-V415 CarbonylContact O-C 3.59Å; V404-V415 VanDerWaalsContact O-CA 3.26Å; V404-V415 WeakPolarHBondContact O-CA 3.1Å; V404-L416 PolarHBondContact N-O 2.86Å; V404-L416 PolarHBondContact O-N 2.85Å; V404-V421 HydrophobicContact CB-CG1 3.47Å; V404-V421 VanDerWaalsContact CB-CG1 3.47Å; V404-V421 HydrophobicContact CG1-CG1 3.79Å; V404-V421 HydrophobicContact CG2-CG1 3.51Å; V404-I425 HydrophobicContact CG1-CD1 4.45Å; V404-I425 HydrophobicContact CG2-CD1 4.49Å
405	I	89.3	Confident	90	Very high	18 Å²	18	22.2 Å²	22.2	9%	0.092	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.6	179.8	-51.7	-177	0	0	0	109.1	P162 P269 C413 R414 V415	P162-I405 HydrophobicContact CB-CD1 3.76Å; P162-I405 HydrophobicContact CG-CD1 4.24Å; P269-I405 VanDerWaalsContact CD-O 3.25Å; P269-I405 WeakPolarHBondContact CD-O 3.38Å; P269-I405 HydrophobicContact CG-CB 4.4Å; P269-I405 WeakPolarHBondContact CG-O 3.2Å; I405-C413 HydrophobicContact CG2-CB 3.66Å; I405-C413 WeakPolarHBondContact CG2-SG 3.49Å; I405-R414 WeakPolarHBondContact CA-O 2.97Å; I405-V415 HydrophobicContact CG1-CG1 4.47Å; I405-V415 HydrophobicContact CG1-CG2 3.95Å
406	S	90	Very high	89.5	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-174.8	171.8	-166.1	0	0	0	0	111.6	Y238 G241 L242 C413 R414	Y238-S406 VanDerWaalsContact CE2-CB 3.41Å; Y238-S406 WeakPolarHBondContact O-CB 3.37Å; Y238-S406 PolarHBondContact O-OG 2.89Å; G241-S406 WeakPolarHBondContact CA-OG 3.31Å; L242-S406 PolarHBondContact N-OG 3.34Å; S406-C413 CarbonylContact O-C 3.55Å; S406-C413 VanDerWaalsContact O-CA 3.25Å; S406-C413 WeakPolarHBondContact O-CA 3.13Å; S406-R414 PolarHBondContact N-O 3.11Å; S406-R414 PolarHBondContact O-N 3.38Å
407	S	90.2	Very high	89.2	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	141.2	-179.5	-61.5	0	0	0	0	113.7	H201 Y238	H201-S407 WeakPolarHBondContact ND1-CB 3.44Å; H201-S407 PolarHBondContact ND1-OG 3.15Å; Y238-S407 VanDerWaalsContact CA-O 3.24Å; Y238-S407 WeakPolarHBondContact CA-O 3.44Å
408	N	88	Confident	88.8	Confident	37 Å²	37	22.2 Å²	22.2	20%	0.198	12%	0.118	C	C	.	.			trans	-114.1	167.3	167.7	-165.4	27.3	0	0	0	111	H199 D410 G411 K412 R414	H199-N408 PolarHBondContact CE1-O 3.12Å; H199-N408 PolarHBondContact NE2-O 3.46Å; N408-D410 VanDerWaalsContact C-N 3.35Å; N408-D410 WeakPolarHBondContact CB-OD1 3.22Å; N408-D410 PolarHBondContact ND2-OD1 3.41Å; N408-D410 PolarHBondContact O-N 3Å; N408-G411 PolarHBondContact O-N 3.28Å; N408-K412 WeakPolarHBondContact CB-O 3.32Å; N408-K412 PolarHBondContact N-O 3.4Å; N408-R414 HydrophobicContact CB-CB 3.91Å
409	L	87.5	Confident	88.5	Confident	61 Å²	61	22.3 Å²	22.3	32%	0.319	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.8	-178.7	-69.7	175.6	0	0	0	114.3	A195 D231 T237 G411	A195-L409 HydrophobicContact CB-CD2 4.23Å; D231-L409 HydrophobicContact CB-CD2 3.88Å; D231-L409 WeakPolarHBondContact O-CD2 3.46Å; T237-L409 HydrophobicContact CG2-CD2 4.4Å; T237-L409 WeakPolarHBondContact OG1-CD2 3.09Å; L409-G411 PolarHBondContact O-N 3.2Å
410	D	83.4	Confident	88.2	Confident	100 Å²	100	22.3 Å²	22.3	54%	0.535	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	7	-175.9	65.7	-14.5	0	0	0	113.6	N408 K412	N408-D410 VanDerWaalsContact C-N 3.35Å; N408-D410 WeakPolarHBondContact CB-OD1 3.22Å; N408-D410 PolarHBondContact ND2-OD1 3.41Å; N408-D410 PolarHBondContact O-N 3Å; D410-K412 VanDerWaalsContact C-N 3.26Å; D410-K412 PolarHBondContact O-N 2.89Å; D410-K412 VanDerWaalsContact OD1-CB 3.25Å; D410-K412 WeakPolarHBondContact OD1-CB 3.11Å; D410-K412 PolarHBondContact OD1-N 3.28Å; D410-K412 WeakPolarHBondContact OD2-CD 3.16Å; D410-K412 WeakPolarHBondContact OD2-CG 3.01Å
411	G	78.5	Confident	88.1	Confident	21 Å²	21	21.8 Å²	21.8	22%	0.216	12%	0.116	C	C	.	.	S	Bend	trans	80	2.9	-173.9	0	0	0	0	0	114.3	H199 H201 N408 L409	H199-G411 VanDerWaalsContact NE2-CA 3.32Å; H199-G411 WeakPolarHBondContact NE2-CA 3.17Å; H199-G411 PolarHBondContact NE2-N 3.2Å; H201-G411 PolarHBondContact NE2-O 2.97Å; N408-G411 PolarHBondContact O-N 3.28Å; L409-G411 PolarHBondContact O-N 3.2Å
412	K	81.3	Confident	88.2	Confident	92 Å²	92	21.8 Å²	21.8	40%	0.4	12%	0.116	S	C	.	.	S	Bend	trans	-94	-170.4	172	-57.4	-171.5	175.6	-164.2	0	111.5	H201 D264 N408 D410	H201-K412 PolarHBondContact CE1-O 2.74Å; D264-K412 IonicContact OD2-NZ 2.86Å; D264-K412 PolarHBondContact OD2-NZ 2.89Å; N408-K412 WeakPolarHBondContact CB-O 3.32Å; N408-K412 PolarHBondContact N-O 3.4Å; D410-K412 VanDerWaalsContact C-N 3.26Å; D410-K412 PolarHBondContact O-N 2.89Å; D410-K412 VanDerWaalsContact OD1-CB 3.25Å; D410-K412 WeakPolarHBondContact OD1-CB 3.11Å; D410-K412 PolarHBondContact OD1-N 3.28Å; D410-K412 WeakPolarHBondContact OD2-CD 3.16Å; D410-K412 WeakPolarHBondContact OD2-CG 3.01Å
413	C	81	Confident	88.5	Confident	36 Å²	36	21.4 Å²	21.4	24%	0.243	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	148.6	173.9	-88.5	0	0	0	0	110.9	C267 I405 S406	C267-C413 WeakPolarHBondContact CA-SG 3.39Å; C267-C413 HydrophobicContact CB-CB 3.93Å; C267-C413 WeakPolarHBondContact CB-SG 3.34Å; C267-C413 WeakPolarHBondContact SG-CA 3.49Å; C267-C413 WeakPolarHBondContact SG-CB 3.25Å; C267-C413 PolarHBondContact SG-N 3.32Å; C267-C413 VanDerWaalsContact SG-N 3.37Å; C267-C413 CovalentContact SG-SG 2.01Å; C267-C413 PolarHBondContact SG-SG 2.94Å; I405-C413 HydrophobicContact CG2-CB 3.66Å; I405-C413 WeakPolarHBondContact CG2-SG 3.49Å; S406-C413 CarbonylContact O-C 3.55Å; S406-C413 VanDerWaalsContact O-CA 3.25Å; S406-C413 WeakPolarHBondContact O-CA 3.13Å
414	R	85.1	Confident	88.9	Confident	58 Å²	58	21.3 Å²	21.3	22%	0.219	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.7	167.7	-177.6	176.5	-176.7	-178.6	-1.3	108.6	N123 Y238 I405 S406 N408 L416	N123-R414 PolarHBondContact ND2-NH2 3.23Å; Y238-R414 HydrophobicContact CD2-CB 4.16Å; Y238-R414 HydrophobicContact CD2-CG 4.44Å; Y238-R414 WeakPolarHBondContact CE2-O 3.35Å; I405-R414 WeakPolarHBondContact CA-O 2.97Å; S406-R414 PolarHBondContact N-O 3.11Å; S406-R414 PolarHBondContact O-N 3.38Å; N408-R414 HydrophobicContact CB-CB 3.91Å; R414-L416 HydrophobicContact CG-CD2 4.1Å; R414-L416 HydrophobicContact CG-CG 4.13Å; R414-L416 VanDerWaalsContact NE-CD2 3.34Å
415	V	87.1	Confident	89.3	Confident	14 Å²	14	21.3 Å²	21.3	9%	0.085	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121	178	-169.5	0	0	0	0	109.2	L17 F19 S20 V404 I405	L17-V415 HydrophobicContact CD2-CG2 4.19Å; F19-V415 HydrophobicContact CD1-CG1 3.81Å; F19-V415 HydrophobicContact CE1-CG1 4.12Å; S20-V415 PolarHBondContact OG-O 3.35Å; V404-V415 CarbonylContact O-C 3.59Å; V404-V415 VanDerWaalsContact O-CA 3.26Å; V404-V415 WeakPolarHBondContact O-CA 3.1Å; I405-V415 HydrophobicContact CG1-CG1 4.47Å; I405-V415 HydrophobicContact CG1-CG2 3.95Å
416	L	88.5	Confident	89.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.3	178.8	-60.3	178.8	0	0	0	111.5	S20 L22 Y238 V404 R414 V421	S20-L416 WeakPolarHBondContact OG-CD2 3.25Å; L22-L416 HydrophobicContact CD1-CB 4.03Å; L22-L416 HydrophobicContact CD1-CD1 4.03Å; L22-L416 HydrophobicContact CD1-CG 4.44Å; L22-L416 HydrophobicContact CD2-CD1 4.3Å; L22-L416 HydrophobicContact CD2-CD2 3.95Å; L22-L416 HydrophobicContact CG-CB 4.36Å; L22-L416 HydrophobicContact CG-CD2 4.32Å; Y238-L416 HydrophobicContact CD1-CD1 3.67Å; Y238-L416 HydrophobicContact CD2-CD1 3.61Å; Y238-L416 HydrophobicContact CD2-CG 3.91Å; Y238-L416 HydrophobicContact CE1-CB 4.09Å; Y238-L416 HydrophobicContact CE1-CD1 3.84Å; Y238-L416 HydrophobicContact CE1-CG 4.31Å; Y238-L416 HydrophobicContact CE2-CB 3.84Å; Y238-L416 HydrophobicContact CE2-CD1 3.77Å; Y238-L416 HydrophobicContact CE2-CG 3.63Å; Y238-L416 HydrophobicContact CG-CD1 3.58Å; Y238-L416 HydrophobicContact CG-CG 4.37Å; V404-L416 PolarHBondContact N-O 2.86Å; V404-L416 PolarHBondContact O-N 2.85Å; R414-L416 HydrophobicContact CG-CD2 4.1Å; R414-L416 HydrophobicContact CG-CG 4.13Å; R414-L416 VanDerWaalsContact NE-CD2 3.34Å; L416-V421 HydrophobicContact CB-CG2 4.08Å
417	S	89.9	Confident	90.1	Very high	5 Å²	5	20.4 Å²	20.4	4%	0.035	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.5	167.7	-49.6	0	0	0	0	111	S20 L22 S401 G403	S20-S417 PolarHBondContact O-N 3.47Å; S20-S417 VanDerWaalsContact O-N 3.11Å; L22-S417 VanDerWaalsContact CB-O 3.28Å; L22-S417 WeakPolarHBondContact CB-O 3.43Å; L22-S417 WeakPolarHBondContact CG-O 3.29Å; L22-S417 PolarHBondContact N-O 3.28Å; S401-S417 CarbonylContact O-C 3.38Å; S401-S417 WeakPolarHBondContact O-CA 3.31Å; G403-S417 PolarHBondContact N-OG 3.09Å
418	G	90.7	Very high	90.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	160.6	160.9	179.3	0	0	0	0	0	113.4	S401 S420 V421 A422	S401-G418 WeakPolarHBondContact CB-O 3.32Å; S401-G418 PolarHBondContact O-N 2.91Å; G418-S420 PolarHBondContact O-N 2.87Å; G418-V421 WeakPolarHBondContact O-CA 3.49Å; G418-V421 WeakPolarHBondContact O-CB 3.44Å; G418-V421 WeakPolarHBondContact O-CG2 3.4Å; G418-V421 PolarHBondContact O-N 3.44Å; G418-A422 PolarHBondContact O-N 3.43Å
419	T	91.7	Very high	91	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-68.2	-20.1	173.9	56.8	0	0	0	0	112.7	A341 I342 G343 N344 F376 V421 A422 S423	A341-T419 VanDerWaalsContact CB-C 3.49Å; A341-T419 WeakPolarHBondContact CB-O 3.38Å; I342-T419 HydrophobicContact CG1-CG2 3.84Å; G343-T419 PolarHBondContact N-OG1 2.84Å; G343-T419 WeakPolarHBondContact O-CG2 3.01Å; G343-T419 PolarHBondContact O-OG1 3.32Å; N344-T419 PolarHBondContact OD1-N 3.15Å; N344-T419 PolarHBondContact OD1-OG1 2.75Å; N344-T419 VanDerWaalsContact OD1-OG1 3.09Å; F376-T419 HydrophobicContact CE2-CG2 4.38Å; T419-V421 PolarHBondContact O-N 2.81Å; T419-A422 WeakPolarHBondContact O-CB 3.04Å; T419-A422 PolarHBondContact O-N 3.1Å; T419-A422 VanDerWaalsContact O-N 3.11Å; T419-S423 PolarHBondContact O-N 2.95Å
420	S	89.4	Confident	91.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-17.2	165.8	48.8	0	0	0	0	113.9	L22 Y24 S313 G418 P424	L22-S420 WeakPolarHBondContact CD1-OG 3.19Å; Y24-S420 WeakPolarHBondContact OH-CB 3.21Å; Y24-S420 PolarHBondContact OH-OG 2.82Å; S313-S420 PolarHBondContact OG-O 2.74Å; G418-S420 PolarHBondContact O-N 2.87Å; S420-P424 WeakPolarHBondContact O-CD 3.4Å; S420-P424 VanDerWaalsContact O-CG 3.24Å; S420-P424 WeakPolarHBondContact O-CG 3.46Å
421	V	93.8	Very high	92.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-84.9	-39.7	169.1	-176.9	0	0	0	0	110.7	Y238 L242 V404 L416 G418 T419 P424 I425	Y238-V421 HydrophobicContact CE1-CG1 4.33Å; Y238-V421 HydrophobicContact CE1-CG2 3.91Å; L242-V421 HydrophobicContact CD1-CG1 3.84Å; V404-V421 HydrophobicContact CB-CG1 3.47Å; V404-V421 VanDerWaalsContact CB-CG1 3.47Å; V404-V421 HydrophobicContact CG1-CG1 3.79Å; V404-V421 HydrophobicContact CG2-CG1 3.51Å; L416-V421 HydrophobicContact CB-CG2 4.08Å; G418-V421 WeakPolarHBondContact O-CA 3.49Å; G418-V421 WeakPolarHBondContact O-CB 3.44Å; G418-V421 WeakPolarHBondContact O-CG2 3.4Å; G418-V421 PolarHBondContact O-N 3.44Å; T419-V421 PolarHBondContact O-N 2.81Å; V421-P424 VanDerWaalsContact O-CD 3.28Å; V421-P424 WeakPolarHBondContact O-CD 3.39Å; V421-P424 VanDerWaalsContact O-CG 3.31Å; V421-P424 WeakPolarHBondContact O-CG 3.4Å; V421-I425 HydrophobicContact CG1-CD1 4.09Å; V421-I425 WeakPolarHBondContact O-CD1 3.42Å; V421-I425 WeakPolarHBondContact O-CG1 3.33Å; V421-I425 PolarHBondContact O-N 2.89Å
422	A	96.8	Very high	93.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.2	-44.2	-178.7	0	0	0	0	0	112.1	V364 G365 T399 G418 T419 I425 V426	V364-A422 HydrophobicContact CG1-CB 3.74Å; G365-A422 WeakPolarHBondContact O-CB 3.34Å; T399-A422 HydrophobicContact CG2-CB 3.76Å; T399-A422 WeakPolarHBondContact CG2-O 3.43Å; G418-A422 PolarHBondContact O-N 3.43Å; T419-A422 WeakPolarHBondContact O-CB 3.04Å; T419-A422 PolarHBondContact O-N 3.1Å; T419-A422 VanDerWaalsContact O-N 3.11Å; A422-I425 WeakPolarHBondContact O-CB 3.41Å; A422-I425 PolarHBondContact O-N 2.82Å; A422-V426 PolarHBondContact O-N 3.46Å
423	S	97.1	Very high	94.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-52.4	-54.7	178.8	-179	0	0	0	0	113.6	N311 V339 T419 I425 V426 T427	N311-S423 PolarHBondContact OD1-OG 3.08Å; V339-S423 PolarHBondContact O-OG 3.29Å; T419-S423 PolarHBondContact O-N 2.95Å; S423-I425 PolarHBondContact O-N 3.36Å; S423-V426 CarbonylContact O-C 3.31Å; S423-V426 PolarHBondContact O-N 3.09Å; S423-V426 VanDerWaalsContact O-N 3.15Å; S423-T427 PolarHBondContact O-N 3.5Å; S423-T427 PolarHBondContact O-OG1 2.76Å
424	P	97.7	Very high	94.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-70.6	-27.5	-179.6	25.8	-35	0	0	0	113.8	V239 L242 I243 N311 S313 S420 V421 V426 T427 G428	V239-P424 HydrophobicContact CG1-CB 3.84Å; V239-P424 HydrophobicContact CG1-CG 4.07Å; V239-P424 HydrophobicContact CG2-CG 4.48Å; L242-P424 HydrophobicContact CB-CB 4.23Å; L242-P424 HydrophobicContact CB-CG 4.36Å; L242-P424 HydrophobicContact CD1-CG 3.77Å; I243-P424 HydrophobicContact CD1-CB 3.91Å; I243-P424 HydrophobicContact CG1-CB 3.79Å; I243-P424 WeakPolarHBondContact CG1-O 3.42Å; N311-P424 WeakPolarHBondContact OD1-CA 3.48Å; S313-P424 WeakPolarHBondContact OG-CD 3.31Å; S420-P424 WeakPolarHBondContact O-CD 3.4Å; S420-P424 VanDerWaalsContact O-CG 3.24Å; S420-P424 WeakPolarHBondContact O-CG 3.46Å; V421-P424 VanDerWaalsContact O-CD 3.28Å; V421-P424 WeakPolarHBondContact O-CD 3.39Å; V421-P424 VanDerWaalsContact O-CG 3.31Å; V421-P424 WeakPolarHBondContact O-CG 3.4Å; P424-V426 VanDerWaalsContact C-N 3.31Å; P424-T427 PolarHBondContact O-N 3.4Å; P424-G428 PolarHBondContact O-N 3.14Å
425	I	98	Very high	95.4	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-59.2	-47.4	169.5	-70.5	162.6	0	0	0	109.4	P166 L170 L242 F272 T399 F400 V404 V421 A422 S423 G428 V429	P166-I425 HydrophobicContact CB-CD1 3.8Å; P166-I425 HydrophobicContact CB-CG1 4.2Å; P166-I425 HydrophobicContact CB-CG2 4.17Å; P166-I425 HydrophobicContact CG-CD1 3.58Å; P166-I425 HydrophobicContact CG-CG1 4.36Å; L170-I425 HydrophobicContact CD1-CG2 3.98Å; L242-I425 HydrophobicContact CB-CG1 4.48Å; L242-I425 HydrophobicContact CD1-CG1 4.28Å; L242-I425 HydrophobicContact CD2-CG1 4.41Å; F272-I425 HydrophobicContact CE2-CB 4.39Å; F272-I425 HydrophobicContact CE2-CG1 4.36Å; F272-I425 HydrophobicContact CE2-CG2 3.77Å; F272-I425 HydrophobicContact CZ-CG2 3.86Å; T399-I425 HydrophobicContact CG2-CB 3.97Å; T399-I425 HydrophobicContact CG2-CD1 4.48Å; T399-I425 HydrophobicContact CG2-CG2 3.79Å; F400-I425 WeakPolarHBondContact O-CD1 3.4Å; V404-I425 HydrophobicContact CG1-CD1 4.45Å; V404-I425 HydrophobicContact CG2-CD1 4.49Å; V421-I425 HydrophobicContact CG1-CD1 4.09Å; V421-I425 WeakPolarHBondContact O-CD1 3.42Å; V421-I425 WeakPolarHBondContact O-CG1 3.33Å; V421-I425 PolarHBondContact O-N 2.89Å; A422-I425 WeakPolarHBondContact O-CB 3.41Å; A422-I425 PolarHBondContact O-N 2.82Å; S423-I425 PolarHBondContact O-N 3.36Å; I425-G428 PolarHBondContact O-N 3.35Å; I425-V429 PolarHBondContact O-N 3.32Å
426	V	98.6	Very high	95.8	Very high	0 Å²	0	0.6 Å²	0.6	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-66	-39.9	175.9	173.3	0	0	0	0	111.5	V339 L362 V364 I397 T399 A422 S423 P424 G428 V429 V430 L474 V511	V339-V426 HydrophobicContact CG1-CB 4.12Å; V339-V426 HydrophobicContact CG1-CG1 3.91Å; L362-V426 HydrophobicContact CD2-CG1 3.58Å; V364-V426 HydrophobicContact CB-CG2 4.32Å; V364-V426 HydrophobicContact CG1-CB 4.29Å; V364-V426 HydrophobicContact CG1-CG2 3.49Å; V364-V426 VanDerWaalsContact CG1-CG2 3.49Å; V364-V426 HydrophobicContact CG2-CB 3.85Å; V364-V426 HydrophobicContact CG2-CG1 3.88Å; V364-V426 HydrophobicContact CG2-CG2 3.81Å; I397-V426 HydrophobicContact CD1-CG1 3.95Å; I397-V426 HydrophobicContact CD1-CG2 4.19Å; T399-V426 HydrophobicContact CG2-CG2 3.77Å; A422-V426 PolarHBondContact O-N 3.46Å; S423-V426 CarbonylContact O-C 3.31Å; S423-V426 PolarHBondContact O-N 3.09Å; S423-V426 VanDerWaalsContact O-N 3.15Å; P424-V426 VanDerWaalsContact C-N 3.31Å; V426-G428 VanDerWaalsContact C-N 3.26Å; V426-G428 PolarHBondContact O-N 3.45Å; V426-V429 CarbonylContact O-C 3.58Å; V426-V429 WeakPolarHBondContact O-CB 3.48Å; V426-V429 PolarHBondContact O-N 2.71Å; V426-V430 HydrophobicContact CG1-CG2 4.08Å; V426-V430 WeakPolarHBondContact O-CB 3.49Å; V426-V430 VanDerWaalsContact O-CG2 3.27Å; V426-V430 WeakPolarHBondContact O-CG2 3.43Å; V426-V430 PolarHBondContact O-N 2.68Å; V426-L474 HydrophobicContact CG1-CD1 4.44Å; V426-V511 HydrophobicContact CG2-CG2 3.99Å
427	T	98.8	Very high	96	Very high	0 Å²	0	0.6 Å²	0.6	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-59.1	-39.5	173.6	-58.1	0	0	0	0	112	V187 I243 V309 N311 V339 S423 P424 V430 S431	V187-T427 HydrophobicContact CG1-CG2 3.8Å; I243-T427 HydrophobicContact CD1-CG2 3.84Å; I243-T427 HydrophobicContact CG1-CG2 4.36Å; V309-T427 HydrophobicContact CG1-CG2 4.22Å; V309-T427 HydrophobicContact CG2-CG2 3.97Å; N311-T427 HydrophobicContact CB-CG2 3.98Å; N311-T427 WeakPolarHBondContact CB-OG1 3.38Å; N311-T427 PolarHBondContact OD1-OG1 3.08Å; V339-T427 WeakPolarHBondContact CB-OG1 3.23Å; S423-T427 PolarHBondContact O-N 3.5Å; S423-T427 PolarHBondContact O-OG1 2.76Å; P424-T427 PolarHBondContact O-N 3.4Å; T427-V430 PolarHBondContact O-N 3.45Å; T427-S431 WeakPolarHBondContact O-CB 3.2Å; T427-S431 PolarHBondContact O-N 3.25Å; T427-S431 PolarHBondContact O-OG 3.04Å
428	G	98.4	Very high	96.2	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61.4	-47.6	173.2	0	0	0	0	0	112.4	P424 I425 V426 S431 L432	P424-G428 PolarHBondContact O-N 3.14Å; I425-G428 PolarHBondContact O-N 3.35Å; V426-G428 VanDerWaalsContact C-N 3.26Å; V426-G428 PolarHBondContact O-N 3.45Å; G428-S431 WeakPolarHBondContact O-CB 3.4Å; G428-S431 PolarHBondContact O-N 3.25Å; G428-L432 PolarHBondContact O-N 3.16Å; G428-L432 VanDerWaalsContact O-N 3.14Å
429	V	98.6	Very high	96.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-58.1	-50.1	173.1	163.6	0	0	0	0	111.3	L170 F272 I425 V426 S431 L432 L433 L474 V511 L513	L170-V429 HydrophobicContact CD1-CG2 4.06Å; F272-V429 HydrophobicContact CD1-CG2 3.82Å; F272-V429 HydrophobicContact CE1-CG2 3.75Å; F272-V429 HydrophobicContact CZ-CG2 4.44Å; I425-V429 PolarHBondContact O-N 3.32Å; V426-V429 CarbonylContact O-C 3.58Å; V426-V429 WeakPolarHBondContact O-CB 3.48Å; V426-V429 PolarHBondContact O-N 2.71Å; V429-S431 PolarHBondContact O-N 3.33Å; V429-L432 WeakPolarHBondContact O-CA 3.39Å; V429-L432 WeakPolarHBondContact O-CB 3.4Å; V429-L432 PolarHBondContact O-N 3.45Å; V429-L433 HydrophobicContact CG1-CD1 4.26Å; V429-L433 HydrophobicContact CG1-CG 4.45Å; V429-L433 WeakPolarHBondContact O-CG 3.46Å; V429-L433 PolarHBondContact O-N 3.06Å; V429-L474 HydrophobicContact CG1-CD2 3.94Å; V429-V511 HydrophobicContact CG1-CG1 3.98Å; V429-V511 HydrophobicContact CG2-CG1 4.23Å; V429-L513 HydrophobicContact CB-CD1 4.49Å; V429-L513 HydrophobicContact CG1-CD1 3.89Å; V429-L513 HydrophobicContact CG2-CD1 4.44Å
430	V	98.7	Very high	95.9	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-54.6	-41.7	176	160.9	0	0	0	0	110.9	V309 L337 V339 L362 V426 T427 L432 L433 I434 I470 L474	V309-V430 HydrophobicContact CB-CG1 4Å; V309-V430 HydrophobicContact CG1-CG1 4.29Å; V309-V430 HydrophobicContact CG2-CG1 3.74Å; L337-V430 HydrophobicContact CD2-CG1 3.76Å; L337-V430 HydrophobicContact CD2-CG2 4.09Å; V339-V430 HydrophobicContact CG2-CG2 4.36Å; L362-V430 HydrophobicContact CD2-CG2 4.17Å; V426-V430 HydrophobicContact CG1-CG2 4.08Å; V426-V430 WeakPolarHBondContact O-CB 3.49Å; V426-V430 VanDerWaalsContact O-CG2 3.27Å; V426-V430 WeakPolarHBondContact O-CG2 3.43Å; V426-V430 PolarHBondContact O-N 2.68Å; T427-V430 PolarHBondContact O-N 3.45Å; V430-L432 VanDerWaalsContact C-N 3.31Å; V430-L432 PolarHBondContact O-N 3.2Å; V430-L433 PolarHBondContact O-N 3.33Å; V430-L433 VanDerWaalsContact O-N 3.17Å; V430-I434 HydrophobicContact CG1-CD1 3.6Å; V430-I434 HydrophobicContact CG1-CG1 4.29Å; V430-I434 VanDerWaalsContact O-CG1 3.31Å; V430-I434 WeakPolarHBondContact O-CG1 3.27Å; V430-I434 PolarHBondContact O-N 3.06Å; V430-I470 HydrophobicContact CB-CG2 4.43Å; V430-I470 HydrophobicContact CG1-CG2 4.16Å; V430-I470 HydrophobicContact CG2-CG2 3.98Å; V430-L474 HydrophobicContact CG2-CD1 3.78Å
431	S	98.7	Very high	95.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.6	-36.7	178.7	-58.6	0	0	0	0	112.1	V185 V187 T427 G428 V429 N435	V185-S431 WeakPolarHBondContact CG2-O 3.24Å; V187-S431 VanDerWaalsContact CG2-OG 3.28Å; V187-S431 WeakPolarHBondContact CG2-OG 3.46Å; T427-S431 WeakPolarHBondContact O-CB 3.2Å; T427-S431 PolarHBondContact O-N 3.25Å; T427-S431 PolarHBondContact O-OG 3.04Å; G428-S431 WeakPolarHBondContact O-CB 3.4Å; G428-S431 PolarHBondContact O-N 3.25Å; V429-S431 PolarHBondContact O-N 3.33Å; S431-N435 WeakPolarHBondContact O-CB 3.47Å; S431-N435 PolarHBondContact O-N 2.9Å
432	L	98.1	Very high	95.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.6	-41.5	172	-65.5	175.4	0	0	0	112.1	A175 L180 F272 A273 G428 V429 V430 N435 A436 L513	A175-L432 HydrophobicContact CB-CD1 3.91Å; A175-L432 HydrophobicContact CB-CD2 4.36Å; L180-L432 HydrophobicContact CB-CD2 4.43Å; L180-L432 WeakPolarHBondContact O-CD2 3.26Å; F272-L432 HydrophobicContact CB-CD1 4.2Å; F272-L432 HydrophobicContact CD1-CD1 4.22Å; F272-L432 WeakPolarHBondContact O-CD2 3.5Å; A273-L432 HydrophobicContact CB-CD2 4.41Å; G428-L432 PolarHBondContact O-N 3.16Å; G428-L432 VanDerWaalsContact O-N 3.14Å; V429-L432 WeakPolarHBondContact O-CA 3.39Å; V429-L432 WeakPolarHBondContact O-CB 3.4Å; V429-L432 PolarHBondContact O-N 3.45Å; V430-L432 VanDerWaalsContact C-N 3.31Å; V430-L432 PolarHBondContact O-N 3.2Å; L432-N435 PolarHBondContact O-N 3.08Å; L432-A436 WeakPolarHBondContact O-CB 3.28Å; L432-A436 PolarHBondContact O-N 3.37Å; L432-L513 HydrophobicContact CB-CD1 4.36Å; L432-L513 HydrophobicContact CD1-CD1 4.25Å; L432-L513 HydrophobicContact CD1-CD2 3.96Å
433	L	98.5	Very high	94.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.7	-45.6	177.6	-62.1	-179.5	0	0	0	112	V429 V430 N435 A436 A437 I470 L474 L513 A516 L517 V520	V429-L433 HydrophobicContact CG1-CD1 4.26Å; V429-L433 HydrophobicContact CG1-CG 4.45Å; V429-L433 WeakPolarHBondContact O-CG 3.46Å; V429-L433 PolarHBondContact O-N 3.06Å; V430-L433 PolarHBondContact O-N 3.33Å; V430-L433 VanDerWaalsContact O-N 3.17Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-N435 PolarHBondContact O-N 2.87Å; L433-A436 WeakPolarHBondContact O-CB 3.18Å; L433-A436 PolarHBondContact O-N 3.25Å; L433-A437 PolarHBondContact O-N 3.4Å; L433-I470 HydrophobicContact CB-CD1 4.33Å; L433-I470 HydrophobicContact CB-CG2 4.45Å; L433-I470 HydrophobicContact CD1-CG2 4.07Å; L433-L474 HydrophobicContact CD1-CD1 4.42Å; L433-L474 HydrophobicContact CD1-CD2 3.67Å; L433-L474 HydrophobicContact CD1-CG 3.84Å; L433-L513 HydrophobicContact CD2-CD1 4.27Å; L433-A516 HydrophobicContact CD1-CB 3.95Å; L433-A516 HydrophobicContact CD2-CB 3.66Å; L433-A516 HydrophobicContact CG-CB 4.45Å; L433-L517 HydrophobicContact CD2-CB 4.4Å; L433-L517 HydrophobicContact CD2-CD2 3.8Å; L433-L517 HydrophobicContact CD2-CG 3.81Å; L433-V520 HydrophobicContact CB-CG1 4.27Å; L433-V520 HydrophobicContact CD2-CG1 4.09Å
434	I	98.4	Very high	93.4	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-62.5	-43.4	176.1	-65.4	166.6	0	0	0	109.9	V185 H308 V309 V430 A436 A437 L438 V465 I470	V185-I434 HydrophobicContact CB-CG2 4.47Å; V185-I434 HydrophobicContact CG1-CB 4.09Å; V185-I434 HydrophobicContact CG1-CD1 4.22Å; V185-I434 HydrophobicContact CG1-CG2 3.93Å; V185-I434 HydrophobicContact CG2-CB 4.04Å; V185-I434 HydrophobicContact CG2-CG2 3.78Å; H308-I434 HydrophobicContact CB-CD1 3.98Å; H308-I434 HydrophobicContact CB-CG2 4.37Å; V309-I434 HydrophobicContact CB-CD1 4.3Å; V309-I434 HydrophobicContact CG1-CD1 4.36Å; V430-I434 HydrophobicContact CG1-CD1 3.6Å; V430-I434 HydrophobicContact CG1-CG1 4.29Å; V430-I434 VanDerWaalsContact O-CG1 3.31Å; V430-I434 WeakPolarHBondContact O-CG1 3.27Å; V430-I434 PolarHBondContact O-N 3.06Å; I434-A436 VanDerWaalsContact C-N 3.3Å; I434-A436 PolarHBondContact O-N 2.81Å; I434-A437 PolarHBondContact O-N 3.12Å; I434-L438 HydrophobicContact CG2-CD1 3.76Å; I434-L438 HydrophobicContact CG2-CG 4.11Å; I434-L438 WeakPolarHBondContact O-CB 3.46Å; I434-L438 VanDerWaalsContact O-CG 3.29Å; I434-L438 WeakPolarHBondContact O-CG 3.35Å; I434-L438 PolarHBondContact O-N 3.17Å; I434-V465 HydrophobicContact CG2-CG1 4.02Å; I434-I470 HydrophobicContact CG1-CD1 3.87Å; I434-I470 HydrophobicContact CG1-CG1 3.93Å
435	N	96.7	Very high	92.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-42.8	176.6	-175.3	-164.3	0	0	0	111.4	L180 C181 G182 N183 V185 S431 L432 L433 L438 N439	L180-N435 WeakPolarHBondContact CA-OD1 3.34Å; C181-N435 PolarHBondContact N-OD1 2.99Å; C181-N435 VanDerWaalsContact N-OD1 3.12Å; G182-N435 PolarHBondContact N-OD1 2.84Å; N183-N435 PolarHBondContact N-OD1 2.93Å; N183-N435 PolarHBondContact O-ND2 3.38Å; V185-N435 HydrophobicContact CG2-CB 3.78Å; S431-N435 WeakPolarHBondContact O-CB 3.47Å; S431-N435 PolarHBondContact O-N 2.9Å; L432-N435 PolarHBondContact O-N 3.08Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-N435 PolarHBondContact O-N 2.87Å; N435-L438 PolarHBondContact O-N 2.84Å; N435-N439 PolarHBondContact ND2-ND2 2.87Å; N435-N439 PolarHBondContact ND2-OD1 3.03Å; N435-N439 VanDerWaalsContact O-CB 3.29Å; N435-N439 WeakPolarHBondContact O-CB 3.31Å; N435-N439 VanDerWaalsContact O-CG 3.28Å; N435-N439 PolarHBondContact O-N 3.12Å
436	A	94.8	Very high	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-45.6	177.9	0	0	0	0	0	112.3	L180 L432 L433 I434 H440 L517 V520 Q521	L180-A436 HydrophobicContact CD1-CB 3.75Å; L180-A436 HydrophobicContact CD2-CB 4.06Å; L432-A436 WeakPolarHBondContact O-CB 3.28Å; L432-A436 PolarHBondContact O-N 3.37Å; L433-A436 WeakPolarHBondContact O-CB 3.18Å; L433-A436 PolarHBondContact O-N 3.25Å; I434-A436 VanDerWaalsContact C-N 3.3Å; I434-A436 PolarHBondContact O-N 2.81Å; A436-H440 WeakPolarHBondContact O-CB 3.13Å; A436-H440 PolarHBondContact O-N 3.12Å; A436-L517 HydrophobicContact CB-CD2 3.65Å; A436-V520 HydrophobicContact CB-CG1 4.16Å; A436-Q521 HydrophobicContact CB-CG 3.86Å
437	A	93.5	Very high	88.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.3	-42.3	179.2	0	0	0	0	0	112.4	L433 I434 H440 N441 V463 V465 V520	L433-A437 PolarHBondContact O-N 3.4Å; I434-A437 PolarHBondContact O-N 3.12Å; A437-H440 WeakPolarHBondContact O-CB 3.3Å; A437-H440 PolarHBondContact O-N 3.14Å; A437-N441 PolarHBondContact O-N 3.07Å; A437-V463 HydrophobicContact CB-CG2 3.81Å; A437-V465 HydrophobicContact CB-CG2 3.66Å; A437-V520 HydrophobicContact CB-CG2 4.15Å
438	L	92.4	Very high	86.8	Confident	55 Å²	55	33.7 Å²	33.7	29%	0.288	18%	0.177	S	C	.	.	H	α-helix	trans	-64.2	-44.2	175.8	-71	177.2	0	0	0	112	V185 I434 N435 H440 N441 A442 V465	V185-L438 HydrophobicContact CG2-CD1 4.41Å; I434-L438 HydrophobicContact CG2-CD1 3.76Å; I434-L438 HydrophobicContact CG2-CG 4.11Å; I434-L438 WeakPolarHBondContact O-CB 3.46Å; I434-L438 VanDerWaalsContact O-CG 3.29Å; I434-L438 WeakPolarHBondContact O-CG 3.35Å; I434-L438 PolarHBondContact O-N 3.17Å; N435-L438 PolarHBondContact O-N 2.84Å; L438-H440 VanDerWaalsContact C-N 3.31Å; L438-H440 PolarHBondContact O-N 2.92Å; L438-N441 PolarHBondContact O-N 3.42Å; L438-A442 WeakPolarHBondContact O-CB 3.42Å; L438-A442 PolarHBondContact O-N 3.13Å; L438-V465 HydrophobicContact CD2-CG1 4.33Å; L438-V465 HydrophobicContact CD2-CG2 4.28Å
439	N	89.4	Confident	84.7	Confident	65 Å²	65	42 Å²	42	35%	0.348	22%	0.222	S	C	.	.	H	α-helix	trans	-61.7	-41.2	176.4	-79.5	-2.4	0	0	0	111.4	N435 A442 N443	N435-N439 PolarHBondContact ND2-ND2 2.87Å; N435-N439 PolarHBondContact ND2-OD1 3.03Å; N435-N439 VanDerWaalsContact O-CB 3.29Å; N435-N439 WeakPolarHBondContact O-CB 3.31Å; N435-N439 VanDerWaalsContact O-CG 3.28Å; N435-N439 PolarHBondContact O-N 3.12Å; N439-A442 PolarHBondContact O-N 3.08Å; N439-N443 VanDerWaalsContact O-CG 3.25Å; N439-N443 PolarHBondContact O-N 3.1Å; N439-N443 VanDerWaalsContact O-N 3.09Å; N439-N443 PolarHBondContact O-ND2 2.7Å
440	H	86.9	Confident	82.4	Confident	19 Å²	19	45.1 Å²	45.1	9%	0.088	25%	0.254	C	S	.	.	H	α-helix	trans	-57.6	-54.5	175	-177.4	-94.7	0	0	0	111.2	A436 A437 L438 A442 N443 L444 P461	A436-H440 WeakPolarHBondContact O-CB 3.13Å; A436-H440 PolarHBondContact O-N 3.12Å; A437-H440 WeakPolarHBondContact O-CB 3.3Å; A437-H440 PolarHBondContact O-N 3.14Å; L438-H440 VanDerWaalsContact C-N 3.31Å; L438-H440 PolarHBondContact O-N 2.92Å; H440-A442 VanDerWaalsContact C-N 3.34Å; H440-A442 PolarHBondContact O-N 3.4Å; H440-N443 PolarHBondContact O-N 2.81Å; H440-L444 PolarHBondContact O-N 3.01Å; H440-P461 PolarHBondContact CE1-O 2.91Å; H440-P461 PolarHBondContact ND1-O 3.05Å
441	N	87.4	Confident	80.2	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.053	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-38.7	-179.3	-71.8	-13.7	0	0	0	112.8	A437 L438 N443 L444 I445 F462 V463	A437-N441 PolarHBondContact O-N 3.07Å; L438-N441 PolarHBondContact O-N 3.42Å; N441-N443 PolarHBondContact O-N 3.5Å; N441-L444 PolarHBondContact O-N 3.26Å; N441-I445 WeakPolarHBondContact O-CG1 3.43Å; N441-I445 PolarHBondContact O-N 3.04Å; N441-F462 HydrophobicContact CB-CD2 4.04Å; N441-F462 HydrophobicContact CB-CE2 3.68Å; N441-F462 HydrophobicContact CB-CZ 4.28Å; N441-V463 PolarHBondContact ND2-O 3.11Å; N441-V463 WeakPolarHBondContact OD1-CG2 3.47Å; N441-V463 PolarHBondContact OD1-N 2.96Å
442	A	84.6	Confident	78	Confident	42 Å²	42	52.7 Å²	52.7	35%	0.347	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-39.2	177.2	0	0	0	0	0	112.6	L438 N439 H440 L444 I445 N446	L438-A442 WeakPolarHBondContact O-CB 3.42Å; L438-A442 PolarHBondContact O-N 3.13Å; N439-A442 PolarHBondContact O-N 3.08Å; H440-A442 VanDerWaalsContact C-N 3.34Å; H440-A442 PolarHBondContact O-N 3.4Å; A442-L444 VanDerWaalsContact C-N 3.35Å; A442-I445 PolarHBondContact O-N 3.12Å; A442-N446 PolarHBondContact O-N 3.47Å; A442-N446 VanDerWaalsContact O-N 3.11Å; A442-N446 PolarHBondContact O-ND2 2.96Å
443	N	78	Confident	75.7	Confident	75 Å²	75	63.3 Å²	63.3	40%	0.401	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-38.8	177.4	-72	-24.1	0	0	0	111.9	N439 H440 N441 I445 N446 H447	N439-N443 VanDerWaalsContact O-CG 3.25Å; N439-N443 PolarHBondContact O-N 3.1Å; N439-N443 VanDerWaalsContact O-N 3.09Å; N439-N443 PolarHBondContact O-ND2 2.7Å; H440-N443 PolarHBondContact O-N 2.81Å; N441-N443 PolarHBondContact O-N 3.5Å; N443-I445 VanDerWaalsContact C-N 3.33Å; N443-I445 PolarHBondContact O-N 3.12Å; N443-N446 PolarHBondContact O-N 3.17Å; N443-H447 PolarHBondContact O-CD2 3.15Å; N443-H447 VanDerWaalsContact O-CD2 3.27Å; N443-H447 PolarHBondContact O-N 2.71Å; N443-H447 VanDerWaalsContact O-N 3.12Å
444	L	74.6	Confident	73.1	Confident	26 Å²	26	71.5 Å²	71.5	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-61.3	-41.7	174.6	-65.4	173.4	0	0	0	111.9	H440 N441 A442 N446 Y460 P461	H440-L444 PolarHBondContact O-N 3.01Å; N441-L444 PolarHBondContact O-N 3.26Å; A442-L444 VanDerWaalsContact C-N 3.35Å; L444-N446 VanDerWaalsContact C-N 3.34Å; L444-N446 PolarHBondContact O-N 3.45Å; L444-Y460 HydrophobicContact CB-CE2 3.99Å; L444-Y460 WeakPolarHBondContact CB-OH 3.5Å; L444-Y460 HydrophobicContact CD1-CE1 4.48Å; L444-P461 HydrophobicContact CD1-CG 3.84Å; L444-P461 WeakPolarHBondContact CD1-O 3.08Å; L444-P461 HydrophobicContact CD2-CG 3.69Å; L444-P461 HydrophobicContact CG-CG 4.42Å
445	I	72.2	Confident	70.9	Confident	86 Å²	86	75 Å²	75	44%	0.441	40%	0.395	S	S	.	.	H	α-helix	trans	-67.9	-33.2	179.6	-65.4	164.5	0	0	0	111.9	N441 A442 N443	N441-I445 WeakPolarHBondContact O-CG1 3.43Å; N441-I445 PolarHBondContact O-N 3.04Å; A442-I445 PolarHBondContact O-N 3.12Å; N443-I445 VanDerWaalsContact C-N 3.33Å; N443-I445 PolarHBondContact O-N 3.12Å
446	N	67.5	Low	68.8	Low	127 Å²	127	80.1 Å²	80.1	68%	0.679	42%	0.422	S	S	*	.	H	α-helix	trans	-80.5	-29.3	-178.6	-72.1	-28.7	0	0	0	113.7	A442 N443 L444 E448	A442-N446 PolarHBondContact O-N 3.47Å; A442-N446 VanDerWaalsContact O-N 3.11Å; A442-N446 PolarHBondContact O-ND2 2.96Å; N443-N446 PolarHBondContact O-N 3.17Å; L444-N446 VanDerWaalsContact C-N 3.34Å; L444-N446 PolarHBondContact O-N 3.45Å; N446-E448 VanDerWaalsContact C-N 3.33Å
447	H	60.5	Low	66.9	Low	141 Å²	141	83.1 Å²	83.1	65%	0.653	44%	0.438	S	S	*	.	H	α-helix	trans	-75.2	-23.4	-177.9	-91.5	-65	0	0	0	113.7	N443	N443-H447 PolarHBondContact O-CD2 3.15Å; N443-H447 VanDerWaalsContact O-CD2 3.27Å; N443-H447 PolarHBondContact O-N 2.71Å; N443-H447 VanDerWaalsContact O-N 3.12Å
448	E	55.7	Low	65.3	Low	57 Å²	57	88.6 Å²	88.6	27%	0.266	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	131.9	179.8	-64.1	171.2	-179.8	0	0	107.1	N446 G450 M455 Y460	N446-E448 VanDerWaalsContact C-N 3.33Å; E448-G450 PolarHBondContact O-N 3.06Å; E448-M455 HydrophobicContact CB-CE 4.05Å; E448-M455 HydrophobicContact CG-CE 3.82Å; E448-M455 HydrophobicContact CG-SD 4.39Å; E448-M455 WeakPolarHBondContact OE2-CE 3.34Å; E448-Y460 WeakPolarHBondContact OE2-CE2 3.41Å
449	N	53.1	Low	63.9	Low	173 Å²	173	91.3 Å²	91.3	93%	0.925	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	57.7	-173	-83.4	-20	0	0	0	114.8	S451	N449-S451 PolarHBondContact O-N 2.93Å
450	G	51.6	Low	62.9	Low	66 Å²	66	89.3 Å²	89.3	68%	0.68	47%	0.47	S	S	*	.	S	Bend	trans	63.9	1.9	174.6	0	0	0	0	0	116.2	E448 L452	E448-G450 PolarHBondContact O-N 3.06Å; G450-L452 VanDerWaalsContact C-N 3.3Å; G450-L452 PolarHBondContact O-N 3.48Å; G450-L452 VanDerWaalsContact O-N 3.07Å
451	S	52.4	Low	62.5	Low	55 Å²	55	88.8 Å²	88.8	39%	0.385	47%	0.468	S	S	.	.			trans	-89.3	63.5	-174.7	-171	0	0	0	0	112	N449 Y453 H454	N449-S451 PolarHBondContact O-N 2.93Å; S451-Y453 PolarHBondContact O-N 3.35Å; S451-H454 PolarHBondContact O-N 2.82Å
452	L	51.3	Low	62.3	Low	105 Å²	105	92.4 Å²	92.4	55%	0.55	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-53.2	-27.2	174	-164.1	74.8	0	0	0	112.5	G450 H454 Y460	G450-L452 VanDerWaalsContact C-N 3.3Å; G450-L452 PolarHBondContact O-N 3.48Å; G450-L452 VanDerWaalsContact O-N 3.07Å; L452-H454 PolarHBondContact O-N 3.24Å; L452-Y460 HydrophobicContact CD1-CE1 3.98Å
453	Y	49.7	Very low	62.5	Low	222 Å²	222	90.4 Å²	90.4	87%	0.871	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-78.1	-13.5	-171.4	-90.2	-82.2	0	0	0	116.3	S451	S451-Y453 PolarHBondContact O-N 3.35Å
454	H	45.3	Very low	63.1	Low	173 Å²	173	87.5 Å²	87.5	80%	0.801	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-113.6	7.8	-172.9	-83.4	-58.9	0	0	0	114.9	S451 L452	S451-H454 PolarHBondContact O-N 2.82Å; L452-H454 PolarHBondContact O-N 3.24Å
455	M	50.9	Low	63.9	Low	78 Å²	78	88.5 Å²	88.5	38%	0.384	46%	0.459	S	S	.	.	S	Bend	trans	-102.3	143.4	-173.4	-132.8	166.5	-68.4	0	0	113.3	E448 I457 Y460	E448-M455 HydrophobicContact CB-CE 4.05Å; E448-M455 HydrophobicContact CG-CE 3.82Å; E448-M455 HydrophobicContact CG-SD 4.39Å; E448-M455 WeakPolarHBondContact OE2-CE 3.34Å; M455-I457 PolarHBondContact O-N 2.92Å; M455-Y460 HydrophobicContact SD-CD2 4.41Å
456	N	53	Low	65	Low	107 Å²	107	85.4 Å²	85.4	57%	0.572	44%	0.443	S	S	*	.			trans	-63.5	107.8	176.5	-170.1	-2.3	0	0	0	108.9	D458 N459	N456-D458 PolarHBondContact O-N 3.47Å; N456-D458 VanDerWaalsContact O-N 3.12Å; N456-N459 PolarHBondContact O-N 2.84Å; N456-N459 VanDerWaalsContact O-N 3.08Å
457	I	55.5	Low	66.3	Low	63 Å²	63	79.4 Å²	79.4	32%	0.323	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-56.4	-32.9	-167.6	-69.3	170.8	0	0	0	112.5	M455 N459 Y460 R646 L648	M455-I457 PolarHBondContact O-N 2.92Å; I457-N459 VanDerWaalsContact C-N 3.27Å; I457-N459 PolarHBondContact O-N 2.83Å; I457-Y460 PolarHBondContact O-N 3.14Å; I457-R646 HydrophobicContact CD1-CB 4.4Å; I457-R646 HydrophobicContact CG2-CG 4.36Å; I457-L648 HydrophobicContact CB-CD2 4.46Å; I457-L648 HydrophobicContact CD1-CD2 3.91Å; I457-L648 HydrophobicContact CG2-CD2 3.64Å
458	D	58.9	Low	68	Low	116 Å²	116	72.7 Å²	72.7	62%	0.62	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-69.5	-24.6	-176.9	-68.4	-29.4	0	0	0	113.5	N456	N456-D458 PolarHBondContact O-N 3.47Å; N456-D458 VanDerWaalsContact O-N 3.12Å
459	N	63.3	Low	70	Confident	111 Å²	111	70 Å²	70	59%	0.594	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-98.3	-1.1	179.6	-80.7	-3	0	0	0	113.6	N456 I457 P461	N456-N459 PolarHBondContact O-N 2.84Å; N456-N459 VanDerWaalsContact O-N 3.08Å; I457-N459 VanDerWaalsContact C-N 3.27Å; I457-N459 PolarHBondContact O-N 2.83Å; N459-P461 WeakPolarHBondContact O-CD 3.35Å
460	Y	68.6	Low	72.1	Confident	24 Å²	24	61.9 Å²	61.9	9%	0.094	32%	0.324	C	S	.	.			trans	-92	110.1	176.4	-166.4	-108.8	0	0	0	109.6	L444 E448 L452 M455 I457 F462 Y1061	L444-Y460 HydrophobicContact CB-CE2 3.99Å; L444-Y460 WeakPolarHBondContact CB-OH 3.5Å; L444-Y460 HydrophobicContact CD1-CE1 4.48Å; E448-Y460 WeakPolarHBondContact OE2-CE2 3.41Å; L452-Y460 HydrophobicContact CD1-CE1 3.98Å; M455-Y460 HydrophobicContact SD-CD2 4.41Å; I457-Y460 PolarHBondContact O-N 3.14Å; Y460-F462 HydrophobicContact CD1-CB 3.71Å; Y460-F462 HydrophobicContact CE1-CB 3.84Å; Y460-F462 AromaticContact CE1-CD2 3.98Å; Y460-F462 HydrophobicContact CE1-CD2 3.98Å; Y460-F462 HydrophobicContact CE1-CG 4.36Å; Y460-F462 PolarHBondContact O-N 3.03Å; Y460-Y1061 PolarHBondContact O-OH 3.49Å
461	P	78	Confident	74.3	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.052	29%	0.292	C	S	.	.			trans	-80.2	46.3	-169.8	33	-34	0	0	0	112.9	H440 L444 N459 V463 Y1061 L1065	H440-P461 PolarHBondContact CE1-O 2.91Å; H440-P461 PolarHBondContact ND1-O 3.05Å; L444-P461 HydrophobicContact CD1-CG 3.84Å; L444-P461 WeakPolarHBondContact CD1-O 3.08Å; L444-P461 HydrophobicContact CD2-CG 3.69Å; L444-P461 HydrophobicContact CG-CG 4.42Å; N459-P461 WeakPolarHBondContact O-CD 3.35Å; P461-V463 PolarHBondContact O-N 3.17Å; P461-Y1061 HydrophobicContact CB-CD1 3.84Å; P461-Y1061 HydrophobicContact CB-CD2 3.87Å; P461-Y1061 HydrophobicContact CB-CE1 4.24Å; P461-Y1061 HydrophobicContact CB-CE2 4.27Å; P461-Y1061 HydrophobicContact CB-CG 3.66Å; P461-L1065 HydrophobicContact CG-CB 4.38Å
462	F	82.9	Confident	76.4	Confident	85 Å²	85	56.2 Å²	56.2	37%	0.373	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-70	117.3	178.3	-167.4	-90.8	0	0	0	110.6	N441 Y460	N441-F462 HydrophobicContact CB-CD2 4.04Å; N441-F462 HydrophobicContact CB-CE2 3.68Å; N441-F462 HydrophobicContact CB-CZ 4.28Å; Y460-F462 HydrophobicContact CD1-CB 3.71Å; Y460-F462 HydrophobicContact CE1-CB 3.84Å; Y460-F462 AromaticContact CE1-CD2 3.98Å; Y460-F462 HydrophobicContact CE1-CD2 3.98Å; Y460-F462 HydrophobicContact CE1-CG 4.36Å; Y460-F462 PolarHBondContact O-N 3.03Å
463	V	89.1	Confident	78.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-89.2	139.4	-177.7	-60.8	0	0	0	0	111	A437 N441 P461 Q521	A437-V463 HydrophobicContact CB-CG2 3.81Å; N441-V463 PolarHBondContact ND2-O 3.11Å; N441-V463 WeakPolarHBondContact OD1-CG2 3.47Å; N441-V463 PolarHBondContact OD1-N 2.96Å; P461-V463 PolarHBondContact O-N 3.17Å; V463-Q521 WeakPolarHBondContact CG1-O 3.37Å
464	P	90.2	Very high	80.9	Confident	14 Å²	14	40.7 Å²	40.7	9%	0.091	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.8	133.7	178.4	29.8	-34.5	0	0	0	111.1	S469 M523 P525	P464-S469 WeakPolarHBondContact O-CB 3.27Å; P464-S469 PolarHBondContact O-OG 3.27Å; P464-M523 VanDerWaalsContact CD-O 3.23Å; P464-M523 WeakPolarHBondContact CD-O 3.28Å; P464-M523 HydrophobicContact CG-CE 3.93Å; P464-P525 HydrophobicContact CB-CB 4.37Å; P464-P525 HydrophobicContact CG-CB 4.16Å
465	V	92.8	Very high	83.3	Confident	48 Å²	48	33.2 Å²	33.2	29%	0.291	17%	0.172	S	C	.	.			trans	-118.3	88.3	174.3	-173.4	0	0	0	0	108.3	I434 A437 L438	I434-V465 HydrophobicContact CG2-CG1 4.02Å; A437-V465 HydrophobicContact CB-CG2 3.66Å; L438-V465 HydrophobicContact CD2-CG1 4.33Å; L438-V465 HydrophobicContact CD2-CG2 4.28Å
466	N	94.2	Very high	85.4	Confident	20 Å²	20	30.6 Å²	30.6	11%	0.107	16%	0.163	C	C	.	.	S	Bend	trans	-146.3	170	177.9	63.9	51.2	0	0	0	109.5	I468 S469 I470 S566 W603	N466-I468 VanDerWaalsContact C-N 3.26Å; N466-I468 PolarHBondContact O-N 3.1Å; N466-I468 PolarHBondContact OD1-N 2.84Å; N466-S469 PolarHBondContact N-OG 2.94Å; N466-S469 VanDerWaalsContact N-OG 3.08Å; N466-S469 PolarHBondContact O-N 3.35Å; N466-S469 PolarHBondContact O-OG 3.03Å; N466-S469 WeakPolarHBondContact OD1-CB 3.33Å; N466-S469 PolarHBondContact OD1-N 3.03Å; N466-I470 PolarHBondContact O-N 2.77Å; N466-S566 PolarHBondContact ND2-O 3.32Å; N466-W603 HydrophobicContact CB-CH2 3.83Å; N466-W603 HydrophobicContact CB-CZ2 4.19Å; N466-W603 HydrophobicContact CB-CZ3 4.01Å
467	P	95.9	Very high	87.4	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-55	-43	-174	-29.7	38.1	0	0	0	113.3	G335 L337 K471	G335-P467 VanDerWaalsContact C-CG 3.44Å; L337-P467 HydrophobicContact CB-CB 4.03Å; L337-P467 HydrophobicContact CB-CG 4.38Å; L337-P467 HydrophobicContact CD1-CB 3.96Å; P467-K471 WeakPolarHBondContact O-CB 3.24Å; P467-K471 PolarHBondContact O-N 3.05Å; P467-K471 VanDerWaalsContact O-N 3.08Å
468	I	96.6	Very high	89.3	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-78.1	-32.3	-175.4	-61.3	-44.6	0	0	0	112.4	N466 I470 K471 Q472 L564 W603 V604	N466-I468 VanDerWaalsContact C-N 3.26Å; N466-I468 PolarHBondContact O-N 3.1Å; N466-I468 PolarHBondContact OD1-N 2.84Å; I468-I470 VanDerWaalsContact C-N 3.32Å; I468-I470 PolarHBondContact O-N 3.15Å; I468-K471 HydrophobicContact CD1-CD 4.24Å; I468-K471 PolarHBondContact O-N 3.01Å; I468-Q472 HydrophobicContact CG2-CG 4.01Å; I468-Q472 WeakPolarHBondContact O-CB 3.37Å; I468-Q472 VanDerWaalsContact O-CG 3.24Å; I468-Q472 WeakPolarHBondContact O-CG 3.46Å; I468-Q472 PolarHBondContact O-N 3.36Å; I468-L564 HydrophobicContact CD1-CD2 4.4Å; I468-L564 HydrophobicContact CG2-CB 3.63Å; I468-L564 HydrophobicContact CG2-CD2 4.36Å; I468-L564 HydrophobicContact CG2-CG 4.49Å; I468-W603 HydrophobicContact CB-CB 4.14Å; I468-W603 HydrophobicContact CD1-CB 4.23Å; I468-W603 HydrophobicContact CG1-CB 3.18Å; I468-W603 HydrophobicContact CG1-CG 3.79Å; I468-V604 HydrophobicContact CD1-CG1 3.56Å; I468-V604 HydrophobicContact CG1-CG1 3.99Å
469	S	96	Very high	90.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.1	-46.4	175	85.9	0	0	0	0	110.8	P464 N466 Q472 A473 M523	P464-S469 WeakPolarHBondContact O-CB 3.27Å; P464-S469 PolarHBondContact O-OG 3.27Å; N466-S469 PolarHBondContact N-OG 2.94Å; N466-S469 VanDerWaalsContact N-OG 3.08Å; N466-S469 PolarHBondContact O-N 3.35Å; N466-S469 PolarHBondContact O-OG 3.03Å; N466-S469 WeakPolarHBondContact OD1-CB 3.33Å; N466-S469 PolarHBondContact OD1-N 3.03Å; S469-Q472 PolarHBondContact O-N 3.13Å; S469-A473 PolarHBondContact O-N 3.15Å; S469-A473 VanDerWaalsContact O-N 3.1Å; S469-M523 VanDerWaalsContact O-CE 3.28Å; S469-M523 WeakPolarHBondContact O-CE 3.2Å
470	I	97.9	Very high	92.2	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.015	9%	0.089	C	C	.	.	H	α-helix	trans	-66.8	-41.8	176.3	-54.5	-57.3	0	0	0	111.4	L337 V430 L433 I434 N466 I468 Q472 A473 L474 V520	L337-I470 HydrophobicContact CD2-CB 4.01Å; L337-I470 HydrophobicContact CD2-CG2 3.96Å; V430-I470 HydrophobicContact CB-CG2 4.43Å; V430-I470 HydrophobicContact CG1-CG2 4.16Å; V430-I470 HydrophobicContact CG2-CG2 3.98Å; L433-I470 HydrophobicContact CB-CD1 4.33Å; L433-I470 HydrophobicContact CB-CG2 4.45Å; L433-I470 HydrophobicContact CD1-CG2 4.07Å; I434-I470 HydrophobicContact CG1-CD1 3.87Å; I434-I470 HydrophobicContact CG1-CG1 3.93Å; N466-I470 PolarHBondContact O-N 2.77Å; I468-I470 VanDerWaalsContact C-N 3.32Å; I468-I470 PolarHBondContact O-N 3.15Å; I470-Q472 PolarHBondContact O-N 3.4Å; I470-A473 PolarHBondContact O-N 3.39Å; I470-L474 HydrophobicContact CG2-CD1 4.21Å; I470-L474 WeakPolarHBondContact O-CG 3.26Å; I470-L474 PolarHBondContact O-N 2.98Å; I470-V520 HydrophobicContact CD1-CG2 3.72Å
471	K	97.6	Very high	93.1	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-60.9	-43.4	176.9	-177.2	162.9	-179.7	169.9	0	112.2	M359 V361 L362 D396 P467 I468 L474 I475 L564	M359-K471 PolarHBondContact O-NZ 3.39Å; V361-K471 PolarHBondContact O-NZ 3.16Å; L362-K471 HydrophobicContact CD1-CD 4.24Å; L362-K471 HydrophobicContact CD1-CG 4.01Å; D396-K471 WeakPolarHBondContact OD1-CE 3.31Å; D396-K471 IonicContact OD1-NZ 3.55Å; D396-K471 PolarHBondContact OD1-NZ 2.79Å; D396-K471 IonicContact OD2-NZ 3.13Å; D396-K471 PolarHBondContact OD2-NZ 3.48Å; P467-K471 WeakPolarHBondContact O-CB 3.24Å; P467-K471 PolarHBondContact O-N 3.05Å; P467-K471 VanDerWaalsContact O-N 3.08Å; I468-K471 HydrophobicContact CD1-CD 4.24Å; I468-K471 PolarHBondContact O-N 3.01Å; K471-L474 PolarHBondContact O-N 3.32Å; K471-I475 HydrophobicContact CG-CD1 3.74Å; K471-I475 WeakPolarHBondContact O-CB 3.5Å; K471-I475 WeakPolarHBondContact O-CG1 3.48Å; K471-I475 PolarHBondContact O-N 3.41Å; K471-L564 HydrophobicContact CD-CD2 4.42Å
472	Q	97.2	Very high	92.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-46.7	174.3	-75.5	-179.6	-41.9	0	0	111.6	I468 S469 I470 L474 I475 A476 M523 Q526 S528 L564 S566 L1058	I468-Q472 HydrophobicContact CG2-CG 4.01Å; I468-Q472 WeakPolarHBondContact O-CB 3.37Å; I468-Q472 VanDerWaalsContact O-CG 3.24Å; I468-Q472 WeakPolarHBondContact O-CG 3.46Å; I468-Q472 PolarHBondContact O-N 3.36Å; S469-Q472 PolarHBondContact O-N 3.13Å; I470-Q472 PolarHBondContact O-N 3.4Å; Q472-L474 VanDerWaalsContact C-N 3.32Å; Q472-L474 PolarHBondContact O-N 3.41Å; Q472-I475 PolarHBondContact O-N 3.45Å; Q472-A476 VanDerWaalsContact O-CB 3.23Å; Q472-A476 WeakPolarHBondContact O-CB 3.36Å; Q472-A476 PolarHBondContact O-N 3.37Å; Q472-M523 HydrophobicContact CB-SD 4.39Å; Q472-Q526 PolarHBondContact NE2-O 2.68Å; Q472-Q526 VanDerWaalsContact NE2-O 3.09Å; Q472-S528 WeakPolarHBondContact CG-OG 3.36Å; Q472-S528 PolarHBondContact NE2-OG 2.98Å; Q472-L564 HydrophobicContact CG-CB 3.98Å; Q472-L564 HydrophobicContact CG-CD1 4.13Å; Q472-L564 PolarHBondContact NE2-O 2.91Å; Q472-L564 VanDerWaalsContact NE2-O 3.12Å; Q472-S566 PolarHBondContact OE1-OG 3.3Å; Q472-L1058 HydrophobicContact CB-CD1 4.14Å
473	A	97.1	Very high	91.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.8	-40.6	179.1	0	0	0	0	0	112.2	S469 I470 S477 I519 V520 M523	S469-A473 PolarHBondContact O-N 3.15Å; S469-A473 VanDerWaalsContact O-N 3.1Å; I470-A473 PolarHBondContact O-N 3.39Å; A473-S477 VanDerWaalsContact O-CB 3.23Å; A473-S477 WeakPolarHBondContact O-CB 3.34Å; A473-S477 PolarHBondContact O-N 2.85Å; A473-S477 PolarHBondContact O-OG 2.58Å; A473-I519 HydrophobicContact CB-CG2 3.77Å; A473-V520 HydrophobicContact CB-CB 4.27Å; A473-V520 HydrophobicContact CB-CG2 4.46Å; A473-M523 HydrophobicContact CB-SD 4.47Å
474	L	97.6	Very high	90.1	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-67.3	-47.1	176.4	-74.2	171.1	0	0	0	112.3	L362 I397 V426 V429 V430 L433 I470 K471 Q472 S477 A478 V511 A516	L362-L474 HydrophobicContact CD2-CD1 3.63Å; I397-L474 HydrophobicContact CD1-CB 4.24Å; I397-L474 HydrophobicContact CD1-CD1 4.05Å; V426-L474 HydrophobicContact CG1-CD1 4.44Å; V429-L474 HydrophobicContact CG1-CD2 3.94Å; V430-L474 HydrophobicContact CG2-CD1 3.78Å; L433-L474 HydrophobicContact CD1-CD1 4.42Å; L433-L474 HydrophobicContact CD1-CD2 3.67Å; L433-L474 HydrophobicContact CD1-CG 3.84Å; I470-L474 HydrophobicContact CG2-CD1 4.21Å; I470-L474 WeakPolarHBondContact O-CG 3.26Å; I470-L474 PolarHBondContact O-N 2.98Å; K471-L474 PolarHBondContact O-N 3.32Å; Q472-L474 VanDerWaalsContact C-N 3.32Å; Q472-L474 PolarHBondContact O-N 3.41Å; L474-S477 PolarHBondContact O-N 3.22Å; L474-S477 PolarHBondContact O-OG 3.12Å; L474-S477 VanDerWaalsContact O-OG 3.11Å; L474-A478 WeakPolarHBondContact O-CB 3.09Å; L474-A478 PolarHBondContact O-N 3.37Å; L474-A478 VanDerWaalsContact O-N 3.09Å; L474-V511 HydrophobicContact CD2-CG1 4.49Å; L474-A516 HydrophobicContact CD2-CB 4.3Å
475	I	96.7	Very high	88.3	Confident	15 Å²	15	26.4 Å²	26.4	8%	0.077	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-45.6	179.4	-73.2	168.7	0	0	0	111.1	I397 K471 Q472 S477 A508 M530 L564	I397-I475 HydrophobicContact CG2-CG1 4.36Å; K471-I475 HydrophobicContact CG-CD1 3.74Å; K471-I475 WeakPolarHBondContact O-CB 3.5Å; K471-I475 WeakPolarHBondContact O-CG1 3.48Å; K471-I475 PolarHBondContact O-N 3.41Å; Q472-I475 PolarHBondContact O-N 3.45Å; I475-S477 VanDerWaalsContact C-N 3.28Å; I475-S477 PolarHBondContact O-N 2.7Å; I475-A508 HydrophobicContact CB-CB 4.32Å; I475-A508 HydrophobicContact CG1-CB 4.41Å; I475-A508 HydrophobicContact CG2-CB 3.96Å; I475-M530 HydrophobicContact CD1-CB 4.44Å; I475-M530 HydrophobicContact CD1-CG 4.15Å; I475-M530 HydrophobicContact CD1-SD 4.49Å; I475-M530 HydrophobicContact CG2-CG 4.48Å; I475-M530 HydrophobicContact CG2-SD 3.65Å; I475-L564 HydrophobicContact CD1-CD1 3.69Å
476	A	95.3	Very high	86.3	Confident	24 Å²	24	25.5 Å²	25.5	20%	0.198	14%	0.135	C	C	.	.	H	α-helix	trans	-71.1	-21.7	-177.9	0	0	0	0	0	113.6	Q472 I519 L1058	Q472-A476 VanDerWaalsContact O-CB 3.23Å; Q472-A476 WeakPolarHBondContact O-CB 3.36Å; Q472-A476 PolarHBondContact O-N 3.37Å; A476-I519 HydrophobicContact CB-CD1 4.49Å; A476-L1058 HydrophobicContact CB-CD1 3.65Å; A476-L1058 HydrophobicContact CB-CG 3.79Å
477	S	94.9	Very high	84	Confident	7 Å²	7	31.4 Å²	31.4	5%	0.049	16%	0.16	C	C	.	.	H	α-helix	trans	-96.2	-15.5	179.7	59.7	0	0	0	0	114.3	A473 L474 I475 N512 A516	A473-S477 VanDerWaalsContact O-CB 3.23Å; A473-S477 WeakPolarHBondContact O-CB 3.34Å; A473-S477 PolarHBondContact O-N 2.85Å; A473-S477 PolarHBondContact O-OG 2.58Å; L474-S477 PolarHBondContact O-N 3.22Å; L474-S477 PolarHBondContact O-OG 3.12Å; L474-S477 VanDerWaalsContact O-OG 3.11Å; I475-S477 VanDerWaalsContact C-N 3.28Å; I475-S477 PolarHBondContact O-N 2.7Å; S477-N512 WeakPolarHBondContact O-CB 3.15Å; S477-A516 WeakPolarHBondContact OG-CB 3.36Å
478	A	94.8	Very high	81.5	Confident	8 Å²	8	33.8 Å²	33.8	7%	0.066	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-61.6	142.8	-173.6	0	0	0	0	0	112.3	I397 L474 A508 L510	I397-A478 HydrophobicContact CG2-CB 4.45Å; L474-A478 WeakPolarHBondContact O-CB 3.09Å; L474-A478 PolarHBondContact O-N 3.37Å; L474-A478 VanDerWaalsContact O-N 3.09Å; A478-A508 HydrophobicContact CB-CB 3.85Å; A478-L510 WeakPolarHBondContact CA-O 3.09Å
479	N	92.1	Very high	78.8	Confident	62 Å²	62	37.2 Å²	37.2	33%	0.332	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-95	118.4	176.9	-64.1	-42.7	0	0	0	109.5	L481 V484 G509 L510 N512	N479-L481 PolarHBondContact O-N 2.91Å; N479-V484 HydrophobicContact CB-CG2 3.89Å; N479-G509 CarbonylContact O-C 3.56Å; N479-G509 WeakPolarHBondContact O-CA 3.38Å; N479-L510 PolarHBondContact N-O 3.15Å; N479-L510 PolarHBondContact O-N 2.95Å; N479-N512 PolarHBondContact ND2-ND2 2.63Å; N479-N512 PolarHBondContact OD1-ND2 3.16Å
480	Q	90.1	Very high	76.1	Confident	21 Å²	21	45.4 Å²	45.4	10%	0.098	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-55.8	137.2	171.3	-68.8	-176.4	10.8	0	0	110.2	N482 S483 V484 Y533 Y541	Q480-N482 WeakPolarHBondContact CB-OD1 3.43Å; Q480-N482 PolarHBondContact O-N 2.86Å; Q480-N482 VanDerWaalsContact O-N 3.15Å; Q480-N482 PolarHBondContact O-OD1 3.17Å; Q480-N482 PolarHBondContact OE1-ND2 2.94Å; Q480-S483 WeakPolarHBondContact O-CA 3.47Å; Q480-S483 WeakPolarHBondContact O-CB 3.39Å; Q480-S483 PolarHBondContact O-N 3.09Å; Q480-S483 PolarHBondContact O-OG 3.14Å; Q480-V484 PolarHBondContact O-N 3.06Å; Q480-Y533 PolarHBondContact NE2-OH 2.86Å; Q480-Y533 VanDerWaalsContact NE2-OH 3.16Å; Q480-Y541 HydrophobicContact CG-CE2 4.03Å
481	L	87.8	Confident	73.3	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.042	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-61.4	-27.8	-172.3	-61.4	-178.4	0	0	0	113.2	V367 G371 V373 V398 N479 S483 V484 Q506 L510	V367-L481 HydrophobicContact CG1-CD1 4.11Å; V367-L481 HydrophobicContact CG1-CD2 4.25Å; G371-L481 WeakPolarHBondContact O-CD1 3.08Å; G371-L481 WeakPolarHBondContact O-CD2 3.32Å; V373-L481 HydrophobicContact CG2-CD1 3.6Å; V398-L481 HydrophobicContact CG2-CD1 4.3Å; V398-L481 HydrophobicContact CG2-CD2 4.04Å; V398-L481 HydrophobicContact CG2-CG 4.45Å; N479-L481 PolarHBondContact O-N 2.91Å; L481-S483 PolarHBondContact O-N 2.84Å; L481-V484 HydrophobicContact CD2-CG2 4.28Å; L481-V484 PolarHBondContact O-N 2.99Å; L481-Q506 HydrophobicContact CD1-CB 3.65Å; L481-Q506 HydrophobicContact CG-CB 4.02Å; L481-L510 HydrophobicContact CD2-CB 3.78Å
482	N	74.3	Confident	70.5	Confident	61 Å²	61	54.2 Å²	54.2	33%	0.326	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62.7	-25.2	172.5	61.8	2.7	0	0	0	113.5	Q480	Q480-N482 WeakPolarHBondContact CB-OD1 3.43Å; Q480-N482 PolarHBondContact O-N 2.86Å; Q480-N482 VanDerWaalsContact O-N 3.15Å; Q480-N482 PolarHBondContact O-OD1 3.17Å; Q480-N482 PolarHBondContact OE1-ND2 2.94Å
483	S	58.5	Low	67.6	Low	72 Å²	72	63 Å²	63	50%	0.503	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-95.6	-11.7	179.2	74.1	0	0	0	0	112.8	Q480 L481 R485	Q480-S483 WeakPolarHBondContact O-CA 3.47Å; Q480-S483 WeakPolarHBondContact O-CB 3.39Å; Q480-S483 PolarHBondContact O-N 3.09Å; Q480-S483 PolarHBondContact O-OG 3.14Å; L481-S483 PolarHBondContact O-N 2.84Å; S483-R485 PolarHBondContact O-N 2.78Å; S483-R485 VanDerWaalsContact O-N 3.12Å
484	V	54.8	Low	64.8	Low	23 Å²	23	73.8 Å²	73.8	14%	0.139	38%	0.38	C	S	.	.			trans	-76.5	103.1	-178.9	179.8	0	0	0	0	109.3	N479 Q480 L481 V486 L510	N479-V484 HydrophobicContact CB-CG2 3.89Å; Q480-V484 PolarHBondContact O-N 3.06Å; L481-V484 HydrophobicContact CD2-CG2 4.28Å; L481-V484 PolarHBondContact O-N 2.99Å; V484-V486 HydrophobicContact CG1-CG2 4.33Å; V484-V486 PolarHBondContact O-N 2.84Å; V484-L510 HydrophobicContact CG1-CD2 3.98Å; V484-L510 HydrophobicContact CG2-CB 4.14Å; V484-L510 HydrophobicContact CG2-CD2 4.12Å
485	R	53.1	Low	62.2	Low	177 Å²	177	77.3 Å²	77.3	67%	0.668	40%	0.399	S	S	*	.			trans	-77.4	107	159.6	-62.8	-162.4	-164.4	-97	3.4	107.4	S483 F487	S483-R485 PolarHBondContact O-N 2.78Å; S483-R485 VanDerWaalsContact O-N 3.12Å; R485-F487 PolarHBondContact O-N 3.25Å
486	V	50.1	Low	59.7	Low	30 Å²	30	83.2 Å²	83.2	18%	0.182	43%	0.426	C	S	.	.			trans	-61.5	113.8	179.1	179.1	0	0	0	0	109.4	A369 L370 V484 G488 T489	A369-V486 WeakPolarHBondContact O-CG1 3.48Å; L370-V486 VanDerWaalsContact CA-CG2 3.43Å; L370-V486 HydrophobicContact CB-CG2 4.24Å; L370-V486 HydrophobicContact CD2-CG1 4.27Å; L370-V486 WeakPolarHBondContact O-CG2 3.24Å; V484-V486 HydrophobicContact CG1-CG2 4.33Å; V484-V486 PolarHBondContact O-N 2.84Å; V486-G488 PolarHBondContact O-N 2.86Å; V486-T489 PolarHBondContact O-OG1 2.92Å
487	F	45.7	Very low	57.4	Low	144 Å²	144	90.5 Å²	90.5	63%	0.632	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	127.9	-176	-70.3	-82.9	0	0	0	112	R485	R485-F487 PolarHBondContact O-N 3.25Å
488	G	43.1	Very low	55.2	Low	50 Å²	50	95.1 Å²	95.1	52%	0.515	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	11.1	172.6	0	0	0	0	0	115.5	K164 V486	K164-G488 PolarHBondContact NZ-O 2.8Å; V486-G488 PolarHBondContact O-N 2.86Å
489	T	39.6	Very low	53.5	Low	73 Å²	73	96.6 Å²	96.6	45%	0.448	49%	0.49	S	S	.	.			trans	-87.7	114.7	149.7	59.3	0	0	0	0	107.1	L370 V486 S491	L370-T489 HydrophobicContact CD2-CG2 4.27Å; V486-T489 PolarHBondContact O-OG1 2.92Å; T489-S491 PolarHBondContact O-N 3.18Å; T489-S491 PolarHBondContact OG1-O 2.9Å
490	N	39.3	Very low	52.8	Low	171 Å²	171	97.4 Å²	97.4	91%	0.914	49%	0.492	S	S	*	.	S	Bend	trans	-68.4	5.6	170.8	-79	-8.5	0	0	0	112.1
491	S	38.8	Very low	52.7	Low	77 Å²	77	97 Å²	97	54%	0.538	49%	0.492	S	S	.	.			trans	-114.5	109.3	-177.2	-49	0	0	0	0	107.3	T489 K493	T489-S491 PolarHBondContact O-N 3.18Å; T489-S491 PolarHBondContact OG1-O 2.9Å; S491-K493 PolarHBondContact O-N 3.13Å
492	I	39.2	Very low	53	Low	113 Å²	113	96.7 Å²	96.7	58%	0.579	49%	0.49	S	S	*	.			trans	-63.7	75.5	152.1	-54.2	165.7	0	0	0	105	W494	I492-W494 VanDerWaalsContact C-N 3.3Å; I492-W494 PolarHBondContact O-N 3.05Å; I492-W494 VanDerWaalsContact O-N 3.08Å
493	K	37.8	Very low	54	Low	186 Å²	186	93.8 Å²	93.8	81%	0.809	48%	0.475	S	S	*	.			trans	-67.5	109.5	156.6	-101.3	-173.6	175	-178.5	0	103.1	S491 L495	S491-K493 PolarHBondContact O-N 3.13Å; K493-L495 PolarHBondContact O-N 2.96Å
494	W	37.5	Very low	55.8	Low	225 Å²	225	90.4 Å²	90.4	85%	0.852	45%	0.451	S	S	*	.			trans	-37.4	117.9	164.4	-64.4	96.7	0	0	0	106.7	I492 Q496	I492-W494 VanDerWaalsContact C-N 3.3Å; I492-W494 PolarHBondContact O-N 3.05Å; I492-W494 VanDerWaalsContact O-N 3.08Å; W494-Q496 PolarHBondContact O-N 2.77Å
495	L	43.1	Very low	57.7	Low	77 Å²	77	90.5 Å²	90.5	40%	0.403	45%	0.45	S	S	.	.			trans	-42.6	118.3	169.1	-85.2	87.9	0	0	0	104.6	K493 E497 D499	K493-L495 PolarHBondContact O-N 2.96Å; L495-E497 PolarHBondContact O-N 2.98Å; L495-D499 HydrophobicContact CB-CB 4.31Å; L495-D499 HydrophobicContact CD2-CB 3.99Å; L495-D499 HydrophobicContact CG-CB 4.2Å
496	Q	44.9	Very low	59.7	Low	139 Å²	139	82.2 Å²	82.2	65%	0.65	42%	0.419	S	S	*	.			trans	-58.2	143.7	161.6	-79.4	-178	-52	0	0	104.8	W494 T498 D499	W494-Q496 PolarHBondContact O-N 2.77Å; Q496-T498 WeakPolarHBondContact CB-OG1 3.2Å; Q496-T498 PolarHBondContact O-N 2.78Å; Q496-D499 PolarHBondContact O-N 2.8Å
497	E	46.1	Very low	61.9	Low	177 Å²	177	80.8 Å²	80.8	83%	0.827	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-48.2	-22.6	175.2	-77.3	174.5	147.8	0	0	112.1	L495 D499	L495-E497 PolarHBondContact O-N 2.98Å; E497-D499 VanDerWaalsContact C-N 3.27Å; E497-D499 PolarHBondContact O-N 3.43Å
498	T	47.8	Very low	64.2	Low	104 Å²	104	74.2 Å²	74.2	64%	0.638	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-66.1	-11.6	174.2	60.7	0	0	0	0	116.2	Q496	Q496-T498 WeakPolarHBondContact CB-OG1 3.2Å; Q496-T498 PolarHBondContact O-N 2.78Å
499	D	60.8	Low	66.7	Low	38 Å²	38	71.8 Å²	71.8	20%	0.203	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-94.1	7.7	-178.7	-67.3	-34.9	0	0	0	113	R372 L495 Q496 E497	R372-D499 WeakPolarHBondContact CD-OD1 3.41Å; L495-D499 HydrophobicContact CB-CB 4.31Å; L495-D499 HydrophobicContact CD2-CB 3.99Å; L495-D499 HydrophobicContact CG-CB 4.2Å; Q496-D499 PolarHBondContact O-N 2.8Å; E497-D499 VanDerWaalsContact C-N 3.27Å; E497-D499 PolarHBondContact O-N 3.43Å
500	Q	75.4	Confident	69.3	Low	79 Å²	79	68.9 Å²	68.9	37%	0.369	34%	0.339	S	S	.	.			trans	-91.3	134.9	178.3	-60	-176.8	-0.1	0	0	111.1	P540	Q500-P540 HydrophobicContact CB-CG 3.47Å; Q500-P540 VanDerWaalsContact CB-CG 3.47Å
501	S	90	Very high	72.1	Confident	12 Å²	12	61 Å²	61	8%	0.084	30%	0.297	C	S	.	.			trans	-117.6	149.7	180	-58.7	0	0	0	0	111.4	V373 E505 Q506	V373-S501 WeakPolarHBondContact CG2-OG 3.29Å; S501-E505 WeakPolarHBondContact CA-OE2 3.15Å; S501-Q506 PolarHBondContact O-NE2 3.23Å
502	S	93.6	Very high	74.8	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.014	28%	0.279	C	S	.	.			trans	-77.2	165.2	174.2	74.1	0	0	0	0	112	F504 E505 Q506 P540	S502-F504 PolarHBondContact O-N 2.94Å; S502-F504 PolarHBondContact OG-N 2.72Å; S502-E505 PolarHBondContact N-OE2 3.03Å; S502-E505 PolarHBondContact O-N 3.09Å; S502-E505 PolarHBondContact OG-OE2 3.09Å; S502-Q506 WeakPolarHBondContact O-CG 3.15Å; S502-Q506 PolarHBondContact O-N 2.96Å; S502-P540 VanDerWaalsContact CA-O 3.28Å; S502-P540 WeakPolarHBondContact CA-O 3.22Å; S502-P540 WeakPolarHBondContact CB-O 2.91Å
503	M	95	Very high	77.5	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-23.9	172.1	72.7	173.3	97.4	0	0	112.9	V393 E505 G507 P531 Y541 M542	V393-M503 HydrophobicContact CB-SD 4.31Å; V393-M503 HydrophobicContact CG1-CB 4.11Å; V393-M503 HydrophobicContact CG1-CG 3.9Å; V393-M503 WeakPolarHBondContact CG1-O 3.28Å; V393-M503 HydrophobicContact CG1-SD 4.01Å; V393-M503 HydrophobicContact CG2-CG 4.01Å; V393-M503 HydrophobicContact CG2-SD 3.3Å; V393-M503 WeakPolarHBondContact CG2-SD 3.33Å; M503-E505 PolarHBondContact O-N 3.01Å; M503-G507 WeakPolarHBondContact O-CA 3.18Å; M503-G507 PolarHBondContact O-N 3.02Å; M503-P531 HydrophobicContact SD-CB 4.33Å; M503-P531 HydrophobicContact SD-CG 4.17Å; M503-Y541 HydrophobicContact CB-CD2 4.35Å; M503-Y541 HydrophobicContact CB-CE2 3.96Å; M503-Y541 WeakPolarHBondContact CB-O 3.23Å; M503-Y541 PolarHBondContact N-O 3.03Å; M503-M542 HydrophobicContact CE-CB 4.21Å; M503-M542 HydrophobicContact CE-CE 3.35Å; M503-M542 HydrophobicContact CE-CG 3.98Å; M503-M542 HydrophobicContact CE-SD 3.15Å; M503-M542 WeakPolarHBondContact CE-SD 3.26Å; M503-M542 HydrophobicContact SD-CE 4.48Å
504	F	95.5	Very high	80.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-77.6	-6.6	175.8	-64.8	-76.4	0	0	0	113.2	F349 G380 M381 V393 K394 S502 W543 Y545	F349-F504 HydrophobicContact CD1-CB 4.31Å; F349-F504 HydrophobicContact CE1-CB 4.1Å; G380-F504 PolarHBondContact N-O 3.05Å; M381-F504 HydrophobicContact CB-CD1 3.52Å; M381-F504 HydrophobicContact CB-CE1 3.4Å; M381-F504 HydrophobicContact CB-CG 4.41Å; M381-F504 HydrophobicContact CB-CZ 4.24Å; V393-F504 HydrophobicContact CB-CE1 4.28Å; V393-F504 HydrophobicContact CG2-CD1 4.4Å; V393-F504 HydrophobicContact CG2-CE1 3.81Å; V393-F504 HydrophobicContact CG2-CZ 4.01Å; K394-F504 CarbonylContact O-C 3.59Å; S502-F504 PolarHBondContact O-N 2.94Å; S502-F504 PolarHBondContact OG-N 2.72Å; F504-W543 WeakPolarHBondContact CD2-O 3.32Å; F504-W543 WeakPolarHBondContact CE2-O 3.33Å; F504-Y545 AromaticContact CE2-CE2 3.88Å; F504-Y545 HydrophobicContact CE2-CE2 3.88Å; F504-Y545 AromaticContact CZ-CE2 3.85Å; F504-Y545 HydrophobicContact CZ-CE2 3.85Å
505	E	94.9	Very high	82.9	Confident	26 Å²	26	38.8 Å²	38.8	12%	0.121	20%	0.2	C	C	.	.	H	α-helix	trans	-108.3	-39.1	174.1	-58.2	176.5	89.6	0	0	111.3	F349 V373 R379 P395 S501 S502 M503	F349-E505 HydrophobicContact CE1-CG 3.86Å; F349-E505 HydrophobicContact CZ-CG 3.66Å; V373-E505 HydrophobicContact CG1-CB 4.36Å; V373-E505 HydrophobicContact CG2-CB 4.03Å; R379-E505 HydrophobicContact CB-CG 4.36Å; R379-E505 HydrophobicContact CG-CB 4.25Å; R379-E505 HydrophobicContact CG-CG 3.83Å; R379-E505 IonicContact CZ-OE1 3.52Å; R379-E505 IonicContact NE-OE1 3.58Å; R379-E505 PolarHBondContact NE-OE1 2.78Å; R379-E505 IonicContact NH2-OE1 3.85Å; P395-E505 WeakPolarHBondContact CG-O 3.28Å; S501-E505 WeakPolarHBondContact CA-OE2 3.15Å; S502-E505 PolarHBondContact N-OE2 3.03Å; S502-E505 PolarHBondContact O-N 3.09Å; S502-E505 PolarHBondContact OG-OE2 3.09Å; M503-E505 PolarHBondContact O-N 3.01Å
506	Q	95.2	Very high	85.4	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-107.3	-10.7	-172.8	78.8	-179.9	-76.1	0	0	114.9	V373 V398 L481 S501 S502 A508 G509 Y541	V373-Q506 HydrophobicContact CG2-CB 4.42Å; V398-Q506 HydrophobicContact CG2-CB 4.44Å; L481-Q506 HydrophobicContact CD1-CB 3.65Å; L481-Q506 HydrophobicContact CG-CB 4.02Å; S501-Q506 PolarHBondContact O-NE2 3.23Å; S502-Q506 WeakPolarHBondContact O-CG 3.15Å; S502-Q506 PolarHBondContact O-N 2.96Å; Q506-A508 PolarHBondContact O-N 2.92Å; Q506-G509 WeakPolarHBondContact O-CA 3.27Å; Q506-G509 PolarHBondContact O-N 2.72Å; Q506-Y541 HydrophobicContact CG-CE2 4.12Å
507	G	95.9	Very high	87.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-131.7	-169.1	0	0	0	0	0	111.6	P395 M503 G509 Y541	P395-G507 WeakPolarHBondContact O-CA 3.33Å; M503-G507 WeakPolarHBondContact O-CA 3.18Å; M503-G507 PolarHBondContact O-N 3.02Å; G507-G509 PolarHBondContact O-N 3.17Å; G507-Y541 PolarHBondContact O-OH 2.98Å
508	A	95.2	Very high	90	Very high	6 Å²	6	23.7 Å²	23.7	5%	0.05	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.1	172.9	0	0	0	0	0	113.2	D396 I397 I475 A478 Q506 M530	D396-A508 PolarHBondContact O-N 3.02Å; I397-A508 HydrophobicContact CG2-CB 4.33Å; I475-A508 HydrophobicContact CB-CB 4.32Å; I475-A508 HydrophobicContact CG1-CB 4.41Å; I475-A508 HydrophobicContact CG2-CB 3.96Å; A478-A508 HydrophobicContact CB-CB 3.85Å; Q506-A508 PolarHBondContact O-N 2.92Å; A508-M530 HydrophobicContact CB-CE 3.84Å; A508-M530 HydrophobicContact CB-SD 4.44Å
509	G	94.4	Very high	92.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.			trans	120.1	-163.3	178.7	0	0	0	0	0	114.2	V398 N479 Q506 G507	V398-G509 PolarHBondContact N-O 2.84Å; N479-G509 CarbonylContact O-C 3.56Å; N479-G509 WeakPolarHBondContact O-CA 3.38Å; Q506-G509 WeakPolarHBondContact O-CA 3.27Å; Q506-G509 PolarHBondContact O-N 2.72Å; G507-G509 PolarHBondContact O-N 3.17Å
510	L	95.8	Very high	93.9	Very high	11 Å²	11	18.2 Å²	18.2	6%	0.058	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-71.1	133.1	-178.3	-173.1	68	0	0	0	111.3	V367 V398 F400 A478 N479 L481 V484 N512	V367-L510 HydrophobicContact CG2-CD1 3.84Å; V398-L510 WeakPolarHBondContact O-CA 3.41Å; F400-L510 HydrophobicContact CE2-CD1 4.36Å; F400-L510 HydrophobicContact CE2-CD2 4.42Å; F400-L510 HydrophobicContact CZ-CD1 4.45Å; F400-L510 HydrophobicContact CZ-CD2 4.1Å; A478-L510 WeakPolarHBondContact CA-O 3.09Å; N479-L510 PolarHBondContact N-O 3.15Å; N479-L510 PolarHBondContact O-N 2.95Å; L481-L510 HydrophobicContact CD2-CB 3.78Å; V484-L510 HydrophobicContact CG1-CD2 3.98Å; V484-L510 HydrophobicContact CG2-CB 4.14Å; V484-L510 HydrophobicContact CG2-CD2 4.12Å; L510-N512 PolarHBondContact O-N 3.11Å
511	V	96.9	Very high	94.6	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.03	8%	0.081	C	C	.	.			trans	-48.8	130	173.6	172.9	0	0	0	0	111.8	L170 I397 V398 V426 V429 L474	L170-V511 HydrophobicContact CD1-CB 4.41Å; L170-V511 HydrophobicContact CD1-CG1 4.1Å; L170-V511 HydrophobicContact CD2-CB 4.39Å; L170-V511 HydrophobicContact CD2-CG1 4.49Å; L170-V511 VanDerWaalsContact CD2-O 3.31Å; L170-V511 WeakPolarHBondContact CD2-O 3.14Å; I397-V511 HydrophobicContact CD1-CG2 3.83Å; I397-V511 HydrophobicContact CG1-CG2 4.46Å; V398-V511 PolarHBondContact O-N 3.05Å; V426-V511 HydrophobicContact CG2-CG2 3.99Å; V429-V511 HydrophobicContact CG1-CG1 3.98Å; V429-V511 HydrophobicContact CG2-CG1 4.23Å; L474-V511 HydrophobicContact CD2-CG1 4.49Å
512	N	95.3	Very high	94.6	Very high	30 Å²	30	18 Å²	18	16%	0.16	9%	0.089	C	C	.	.			trans	-119.8	91.5	171.7	-175.4	-17.9	0	0	0	109.8	S477 N479 L510 Q514 S515 A516	S477-N512 WeakPolarHBondContact O-CB 3.15Å; N479-N512 PolarHBondContact ND2-ND2 2.63Å; N479-N512 PolarHBondContact OD1-ND2 3.16Å; L510-N512 PolarHBondContact O-N 3.11Å; N512-Q514 VanDerWaalsContact C-N 3.33Å; N512-Q514 PolarHBondContact O-N 2.86Å; N512-Q514 PolarHBondContact OD1-N 2.93Å; N512-S515 PolarHBondContact ND2-OG 3.35Å; N512-S515 VanDerWaalsContact ND2-OG 3.08Å; N512-S515 PolarHBondContact O-N 3.05Å; N512-S515 PolarHBondContact OD1-N 3.04Å; N512-S515 VanDerWaalsContact OD1-N 3.17Å; N512-S515 PolarHBondContact OD1-OG 3.04Å; N512-A516 VanDerWaalsContact O-CB 3.24Å; N512-A516 WeakPolarHBondContact O-CB 3.17Å; N512-A516 PolarHBondContact O-N 2.91Å
513	L	96.1	Very high	94.6	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-60.2	-40.6	-175.3	172	63	0	0	0	112.5	A172 F272 V429 L432 L433 A516 L517	A172-L513 HydrophobicContact CB-CD2 4.22Å; F272-L513 HydrophobicContact CD1-CD2 4.5Å; V429-L513 HydrophobicContact CB-CD1 4.49Å; V429-L513 HydrophobicContact CG1-CD1 3.89Å; V429-L513 HydrophobicContact CG2-CD1 4.44Å; L432-L513 HydrophobicContact CB-CD1 4.36Å; L432-L513 HydrophobicContact CD1-CD1 4.25Å; L432-L513 HydrophobicContact CD1-CD2 3.96Å; L433-L513 HydrophobicContact CD2-CD1 4.27Å; L513-A516 PolarHBondContact O-N 2.99Å; L513-L517 HydrophobicContact CD1-CD1 3.92Å; L513-L517 HydrophobicContact CD1-CG 4Å; L513-L517 HydrophobicContact CG-CD1 4Å; L513-L517 WeakPolarHBondContact O-CB 3.33Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.45Å; L513-L517 PolarHBondContact O-N 3.45Å
514	Q	94.3	Very high	94.4	Very high	63 Å²	63	21.2 Å²	21.2	29%	0.294	10%	0.103	S	C	.	.	H	α-helix	trans	-62.9	-52.7	-178.3	176.1	173.2	-5.3	0	0	111.2	Y174 N512 A516 L517 E518	Y174-Q514 HydrophobicContact CD1-CB 4.25Å; Y174-Q514 HydrophobicContact CD1-CG 4.01Å; Y174-Q514 HydrophobicContact CE1-CB 4.33Å; Y174-Q514 HydrophobicContact CE1-CG 3.67Å; N512-Q514 VanDerWaalsContact C-N 3.33Å; N512-Q514 PolarHBondContact O-N 2.86Å; N512-Q514 PolarHBondContact OD1-N 2.93Å; Q514-A516 VanDerWaalsContact C-N 3.31Å; Q514-A516 PolarHBondContact O-N 2.81Å; Q514-L517 PolarHBondContact O-N 3.09Å; Q514-E518 PolarHBondContact NE2-OE1 3.11Å; Q514-E518 PolarHBondContact O-N 2.98Å
515	S	94	Very high	94.3	Very high	40 Å²	40	22.1 Å²	22.1	28%	0.28	11%	0.109	S	C	.	.	H	α-helix	trans	-64.9	-36.6	178.7	-62.6	0	0	0	0	111.7	N512 L517 E518 I519	N512-S515 PolarHBondContact ND2-OG 3.35Å; N512-S515 VanDerWaalsContact ND2-OG 3.08Å; N512-S515 PolarHBondContact O-N 3.05Å; N512-S515 PolarHBondContact OD1-N 3.04Å; N512-S515 VanDerWaalsContact OD1-N 3.17Å; N512-S515 PolarHBondContact OD1-OG 3.04Å; S515-L517 PolarHBondContact O-N 3.16Å; S515-E518 PolarHBondContact O-N 2.89Å; S515-I519 WeakPolarHBondContact O-CG1 3.5Å; S515-I519 PolarHBondContact O-N 2.9Å
516	A	97	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.7	-40.3	174.9	0	0	0	0	0	112.6	L433 L474 S477 N512 L513 Q514 I519 V520	L433-A516 HydrophobicContact CD1-CB 3.95Å; L433-A516 HydrophobicContact CD2-CB 3.66Å; L433-A516 HydrophobicContact CG-CB 4.45Å; L474-A516 HydrophobicContact CD2-CB 4.3Å; S477-A516 WeakPolarHBondContact OG-CB 3.36Å; N512-A516 VanDerWaalsContact O-CB 3.24Å; N512-A516 WeakPolarHBondContact O-CB 3.17Å; N512-A516 PolarHBondContact O-N 2.91Å; L513-A516 PolarHBondContact O-N 2.99Å; Q514-A516 VanDerWaalsContact C-N 3.31Å; Q514-A516 PolarHBondContact O-N 2.81Å; A516-I519 PolarHBondContact O-N 2.93Å; A516-V520 WeakPolarHBondContact O-CB 3.33Å; A516-V520 PolarHBondContact O-N 3.3Å
517	L	95.4	Very high	94.3	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-42.9	175.9	-77.8	165.4	0	0	0	111.9	Y174 A175 L180 L433 A436 L513 Q514 S515 I519 Q521	Y174-L517 HydrophobicContact CD1-CD1 3.97Å; Y174-L517 HydrophobicContact CE1-CD1 4.29Å; A175-L517 HydrophobicContact CB-CD1 3.79Å; L180-L517 HydrophobicContact CD1-CD2 3.73Å; L433-L517 HydrophobicContact CD2-CB 4.4Å; L433-L517 HydrophobicContact CD2-CD2 3.8Å; L433-L517 HydrophobicContact CD2-CG 3.81Å; A436-L517 HydrophobicContact CB-CD2 3.65Å; L513-L517 HydrophobicContact CD1-CD1 3.92Å; L513-L517 HydrophobicContact CD1-CG 4Å; L513-L517 HydrophobicContact CG-CD1 4Å; L513-L517 WeakPolarHBondContact O-CB 3.33Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.45Å; L513-L517 PolarHBondContact O-N 3.45Å; Q514-L517 PolarHBondContact O-N 3.09Å; S515-L517 PolarHBondContact O-N 3.16Å; L517-I519 VanDerWaalsContact C-N 3.33Å; L517-I519 PolarHBondContact O-N 3.38Å; L517-Q521 WeakPolarHBondContact O-CB 3.31Å; L517-Q521 VanDerWaalsContact O-CG 3.27Å; L517-Q521 WeakPolarHBondContact O-CG 3.41Å; L517-Q521 PolarHBondContact O-N 3.18Å; L517-Q521 PolarHBondContact O-OE1 2.83Å
518	E	91.9	Very high	94.4	Very high	76 Å²	76	21.1 Å²	21.1	36%	0.355	11%	0.105	S	C	.	.	H	α-helix	trans	-65.4	-38.2	178.7	-70.2	172.2	-168.6	0	0	112.1	Y174 Q514 S515	Y174-E518 PolarHBondContact OH-OE1 2.85Å; Q514-E518 PolarHBondContact NE2-OE1 3.11Å; Q514-E518 PolarHBondContact O-N 2.98Å; S515-E518 PolarHBondContact O-N 2.89Å
519	I	94.4	Very high	94.5	Very high	27 Å²	27	21 Å²	21	14%	0.138	10%	0.103	C	C	.	.	H	α-helix	trans	-69.1	-53.2	175.9	-74.8	163.9	0	0	0	110.7	A473 A476 S515 A516 L517 Q521 R522 M523 L1058 L1060	A473-I519 HydrophobicContact CB-CG2 3.77Å; A476-I519 HydrophobicContact CB-CD1 4.49Å; S515-I519 WeakPolarHBondContact O-CG1 3.5Å; S515-I519 PolarHBondContact O-N 2.9Å; A516-I519 PolarHBondContact O-N 2.93Å; L517-I519 VanDerWaalsContact C-N 3.33Å; L517-I519 PolarHBondContact O-N 3.38Å; I519-Q521 VanDerWaalsContact C-N 3.27Å; I519-Q521 PolarHBondContact O-N 3.04Å; I519-R522 CarbonylContact O-C 3.6Å; I519-R522 PolarHBondContact O-N 3.03Å; I519-M523 HydrophobicContact CG2-SD 4.42Å; I519-M523 WeakPolarHBondContact O-CB 3.48Å; I519-M523 PolarHBondContact O-N 2.84Å; I519-L1058 HydrophobicContact CG2-CD1 3.81Å; I519-L1060 HydrophobicContact CG1-CD1 4.46Å; I519-L1060 HydrophobicContact CG2-CD2 4.22Å
520	V	94.8	Very high	94.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.8	-33.8	-171.3	82.5	0	0	0	0	112.6	L433 A436 A437 I470 A473 A516 R522	L433-V520 HydrophobicContact CB-CG1 4.27Å; L433-V520 HydrophobicContact CD2-CG1 4.09Å; A436-V520 HydrophobicContact CB-CG1 4.16Å; A437-V520 HydrophobicContact CB-CG2 4.15Å; I470-V520 HydrophobicContact CD1-CG2 3.72Å; A473-V520 HydrophobicContact CB-CB 4.27Å; A473-V520 HydrophobicContact CB-CG2 4.46Å; A516-V520 WeakPolarHBondContact O-CB 3.33Å; A516-V520 PolarHBondContact O-N 3.3Å; V520-R522 PolarHBondContact O-N 3.01Å
521	Q	90.1	Very high	94.6	Very high	18 Å²	18	21.3 Å²	21.3	8%	0.084	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13	179	-70.6	-177	-51.8	0	0	113.6	A436 V463 L517 I519	A436-Q521 HydrophobicContact CB-CG 3.86Å; V463-Q521 WeakPolarHBondContact CG1-O 3.37Å; L517-Q521 WeakPolarHBondContact O-CB 3.31Å; L517-Q521 VanDerWaalsContact O-CG 3.27Å; L517-Q521 WeakPolarHBondContact O-CG 3.41Å; L517-Q521 PolarHBondContact O-N 3.18Å; L517-Q521 PolarHBondContact O-OE1 2.83Å; I519-Q521 VanDerWaalsContact C-N 3.27Å; I519-Q521 PolarHBondContact O-N 3.04Å
522	R	91.8	Very high	94.5	Very high	67 Å²	67	21.8 Å²	21.8	25%	0.253	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	1.2	-175.7	-65.3	169.9	57.3	-152	-4.3	112.8	I519 V520 K524 L1060 Y1061 V1063	I519-R522 CarbonylContact O-C 3.6Å; I519-R522 PolarHBondContact O-N 3.03Å; V520-R522 PolarHBondContact O-N 3.01Å; R522-K524 PolarHBondContact O-N 3.45Å; R522-L1060 HydrophobicContact CB-CB 4.08Å; R522-L1060 HydrophobicContact CB-CD2 4.45Å; R522-L1060 CarbonylContact O-C 3.54Å; R522-L1060 WeakPolarHBondContact O-CA 3.48Å; R522-Y1061 PolarHBondContact NE-O 3.28Å; R522-Y1061 PolarHBondContact NH2-O 2.91Å; R522-Y1061 VanDerWaalsContact O-CD2 3.3Å; R522-Y1061 WeakPolarHBondContact O-CD2 3.29Å; R522-Y1061 PolarHBondContact O-N 3.31Å; R522-V1063 VanDerWaalsContact CZ-CG2 3.44Å
523	M	92.4	Very high	94.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-70.5	131	-170.1	-168.6	171.1	61	0	0	112.1	P464 S469 Q472 A473 I519 L1058 L1060	P464-M523 VanDerWaalsContact CD-O 3.23Å; P464-M523 WeakPolarHBondContact CD-O 3.28Å; P464-M523 HydrophobicContact CG-CE 3.93Å; S469-M523 VanDerWaalsContact O-CE 3.28Å; S469-M523 WeakPolarHBondContact O-CE 3.2Å; Q472-M523 HydrophobicContact CB-SD 4.39Å; A473-M523 HydrophobicContact CB-SD 4.47Å; I519-M523 HydrophobicContact CG2-SD 4.42Å; I519-M523 WeakPolarHBondContact O-CB 3.48Å; I519-M523 PolarHBondContact O-N 2.84Å; M523-L1058 HydrophobicContact SD-CD1 3.88Å; M523-L1060 HydrophobicContact CB-CD2 4.27Å
524	K	91.9	Very high	94.7	Very high	71 Å²	71	20.6 Å²	20.6	31%	0.309	10%	0.102	S	C	.	.	P	Polyproline II helix	trans	-81.6	146.1	167	-64.7	-170	176.2	-168	0	110	R522 Q526 L1059 Y1061	R522-K524 PolarHBondContact O-N 3.45Å; K524-Q526 PolarHBondContact O-N 2.83Å; K524-Q526 PolarHBondContact O-NE2 3.05Å; K524-L1059 HydrophobicContact CB-CB 4.2Å; K524-L1059 WeakPolarHBondContact CB-O 3.45Å; K524-L1059 HydrophobicContact CD-CB 4.44Å; K524-L1059 PolarHBondContact N-O 3.12Å; K524-Y1061 HydrophobicContact CB-CE2 4.36Å; K524-Y1061 HydrophobicContact CD-CD1 4.36Å; K524-Y1061 HydrophobicContact CD-CE1 4.19Å; K524-Y1061 HydrophobicContact CG-CD1 4.16Å; K524-Y1061 HydrophobicContact CG-CD2 3.79Å; K524-Y1061 HydrophobicContact CG-CE1 4Å; K524-Y1061 HydrophobicContact CG-CE2 3.6Å; K524-Y1061 HydrophobicContact CG-CG 4.06Å
525	P	92.2	Very high	94.8	Very high	19 Å²	19	18.3 Å²	18.3	12%	0.123	9%	0.092	C	C	.	.	S	Bend	trans	-61.6	124.1	171.4	23.1	-28.4	0	0	0	110	P464 M567 L650	P464-P525 HydrophobicContact CB-CB 4.37Å; P464-P525 HydrophobicContact CG-CB 4.16Å; P525-M567 HydrophobicContact CB-CG 4.26Å; P525-L650 HydrophobicContact CB-CD1 4.11Å; P525-L650 HydrophobicContact CG-CD1 4.08Å
526	Q	94.7	Very high	94.9	Very high	2 Å²	2	17 Å²	17	1%	0.009	8%	0.081	C	C	.	.			trans	-160.8	168	-174.1	72.1	-165.1	-57.6	0	0	112.3	Q472 K524 S566 T652 L1059	Q472-Q526 PolarHBondContact NE2-O 2.68Å; Q472-Q526 VanDerWaalsContact NE2-O 3.09Å; K524-Q526 PolarHBondContact O-N 2.83Å; K524-Q526 PolarHBondContact O-NE2 3.05Å; Q526-S566 PolarHBondContact N-OG 3.47Å; Q526-S566 VanDerWaalsContact N-OG 3.14Å; Q526-S566 PolarHBondContact O-N 3.4Å; Q526-S566 PolarHBondContact O-OG 3.05Å; Q526-T652 WeakPolarHBondContact CA-OG1 3.14Å; Q526-T652 HydrophobicContact CB-CG2 4.27Å; Q526-L1059 PolarHBondContact NE2-O 2.94Å; Q526-L1059 VanDerWaalsContact OE1-CB 3.27Å
527	A	96.8	Very high	94.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	158.8	165	0	0	0	0	0	112.6	L564 M567 V639 T652 L654	A527-L564 CarbonylContact C-O 3.46Å; A527-L564 WeakPolarHBondContact CA-O 3.4Å; A527-M567 HydrophobicContact CB-CE 4.33Å; A527-V639 HydrophobicContact CB-CB 3.79Å; A527-V639 HydrophobicContact CB-CG1 4.02Å; A527-V639 HydrophobicContact CB-CG2 3.92Å; A527-T652 HydrophobicContact CB-CG2 4.06Å; A527-T652 PolarHBondContact N-OG1 2.95Å; A527-L654 HydrophobicContact CB-CD1 3.91Å; A527-L654 HydrophobicContact CB-CD2 4.24Å; A527-L654 HydrophobicContact CB-CG 4.34Å; A527-L654 WeakPolarHBondContact O-CD2 3.45Å
528	S	97.4	Very high	94.6	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	171.8	170.6	70.8	0	0	0	0	111.2	Q472 L564 Q1056	Q472-S528 WeakPolarHBondContact CG-OG 3.36Å; Q472-S528 PolarHBondContact NE2-OG 2.98Å; S528-L564 PolarHBondContact N-O 2.93Å; S528-L564 PolarHBondContact O-N 2.9Å; S528-Q1056 VanDerWaalsContact CA-OE1 3.29Å
529	L	97.6	Very high	94.5	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.4	-179	-62	177.4	0	0	0	111.8	P531 S532 I561 T562 I563 L654 L656	L529-P531 CarbonylContact C-O 3.42Å; L529-S532 PolarHBondContact O-N 2.57Å; L529-I561 HydrophobicContact CB-CG2 3.93Å; L529-I561 HydrophobicContact CD2-CG2 4.02Å; L529-I561 HydrophobicContact CG-CG2 4.44Å; L529-T562 WeakPolarHBondContact CA-O 3.48Å; L529-I563 HydrophobicContact CD2-CB 4.48Å; L529-I563 HydrophobicContact CD2-CG1 3.91Å; L529-L654 HydrophobicContact CD1-CB 4.25Å; L529-L654 HydrophobicContact CD2-CD1 3.79Å; L529-L654 HydrophobicContact CG-CB 4.41Å; L529-L654 HydrophobicContact CG-CD1 4.05Å; L529-L656 HydrophobicContact CD1-CB 3.72Å; L529-L656 HydrophobicContact CD1-CD1 4.04Å; L529-L656 HydrophobicContact CD1-CG 4.37Å
530	M	95.5	Very high	94.3	Very high	11 Å²	11	22.1 Å²	22.1	5%	0.054	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	112.8	172.7	179.9	58.8	179.4	0	0	110.7	V393 I475 A508 T562 L564	V393-M530 HydrophobicContact CG1-CE 4.33Å; I475-M530 HydrophobicContact CD1-CB 4.44Å; I475-M530 HydrophobicContact CD1-CG 4.15Å; I475-M530 HydrophobicContact CD1-SD 4.49Å; I475-M530 HydrophobicContact CG2-CG 4.48Å; I475-M530 HydrophobicContact CG2-SD 3.65Å; A508-M530 HydrophobicContact CB-CE 3.84Å; A508-M530 HydrophobicContact CB-SD 4.44Å; M530-T562 PolarHBondContact N-O 2.92Å; M530-T562 PolarHBondContact O-N 2.77Å; M530-L564 HydrophobicContact CB-CD1 4.31Å
531	P	96.1	Very high	94.2	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.032	12%	0.121	C	C	.	.	S	Bend	cis	-64.7	154.9	-7	30.2	-35.1	0	0	0	111.6	V393 M503 L529 L534 I561	V393-P531 HydrophobicContact CG2-CG 4.49Å; M503-P531 HydrophobicContact SD-CB 4.33Å; M503-P531 HydrophobicContact SD-CG 4.17Å; L529-P531 CarbonylContact C-O 3.42Å; P531-L534 HydrophobicContact CG-CD2 4.12Å; P531-I561 HydrophobicContact CG-CG1 4.4Å; P531-I561 WeakPolarHBondContact O-CG2 3.16Å
532	S	95.3	Very high	94.4	Very high	16 Å²	16	22 Å²	22	11%	0.112	12%	0.118	C	C	.	.			trans	-85.7	-10.3	-177.5	56.6	0	0	0	0	115	L529 L656 P657 H1054 Q1056	L529-S532 PolarHBondContact O-N 2.57Å; S532-L656 WeakPolarHBondContact O-CD1 3.38Å; S532-P657 WeakPolarHBondContact O-CD 3.12Å; S532-H1054 PolarHBondContact OG-O 2.84Å; S532-Q1056 PolarHBondContact OG-N 2.89Å; S532-Q1056 VanDerWaalsContact OG-N 3.16Å
533	Y	97	Very high	94.5	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.02	11%	0.111	C	C	.	.			trans	-149.9	155.7	-180	67.4	-88.8	0	0	0	110.1	Q480 D535 Q538 Y541 M542 Y1053 H1054	Q480-Y533 PolarHBondContact NE2-OH 2.86Å; Q480-Y533 VanDerWaalsContact NE2-OH 3.16Å; Y533-D535 HydrophobicContact CD2-CB 3.87Å; Y533-D535 HydrophobicContact CE2-CB 3.92Å; Y533-Q538 PolarHBondContact OH-OE1 2.82Å; Y533-Y541 VanDerWaalsContact OH-CE1 3.3Å; Y533-Y541 WeakPolarHBondContact OH-CE1 3.29Å; Y533-M542 HydrophobicContact CD2-CE 4.18Å; Y533-M542 HydrophobicContact CE2-CE 3.68Å; Y533-Y1053 HydrophobicContact CD2-CD1 4.04Å; Y533-Y1053 HydrophobicContact CG-CD1 4.46Å; Y533-H1054 WeakPolarHBondContact CD1-O 3.18Å
534	L	97.4	Very high	94.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	93.4	175.4	-55.3	-175.7	0	0	0	109.2	P531 I559 I561 V609 L656 P657 I658 K659	P531-L534 HydrophobicContact CG-CD2 4.12Å; L534-I559 HydrophobicContact CD1-CB 4.37Å; L534-I559 HydrophobicContact CD1-CD1 3.9Å; L534-I559 HydrophobicContact CD1-CG2 4.3Å; L534-I559 HydrophobicContact CD2-CD1 4.39Å; L534-I559 HydrophobicContact CD2-CG2 3.61Å; L534-I561 HydrophobicContact CD1-CD1 4.34Å; L534-I561 HydrophobicContact CD2-CD1 4.5Å; L534-I561 HydrophobicContact CD2-CG1 4.41Å; L534-V609 HydrophobicContact CD1-CB 4.3Å; L534-V609 HydrophobicContact CD1-CG1 4.27Å; L534-V609 HydrophobicContact CD1-CG2 4.48Å; L534-L656 HydrophobicContact CD1-CD2 3.98Å; L534-L656 HydrophobicContact CD1-CG 4.41Å; L534-L656 HydrophobicContact CG-CD1 4.11Å; L534-L656 HydrophobicContact CG-CD2 4.2Å; L534-L656 HydrophobicContact CG-CG 4.2Å; L534-P657 PolarHBondContact N-O 2.87Å; L534-I658 HydrophobicContact CB-CG1 4.38Å; L534-I658 HydrophobicContact CD1-CD1 4.44Å; L534-I658 HydrophobicContact CD1-CG1 4.22Å; L534-I658 CarbonylContact O-C 3.39Å; L534-I658 VanDerWaalsContact O-CA 3.31Å; L534-I658 WeakPolarHBondContact O-CA 3.47Å; L534-K659 PolarHBondContact O-N 2.7Å
535	D	96.6	Very high	94.7	Very high	16 Å²	16	17.4 Å²	17.4	9%	0.086	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	90.1	173.9	-174.6	-3.1	0	0	0	110.8	Y533 T537 Q538 M542 K659 Y1053	Y533-D535 HydrophobicContact CD2-CB 3.87Å; Y533-D535 HydrophobicContact CE2-CB 3.92Å; D535-T537 PolarHBondContact O-N 2.89Å; D535-T537 WeakPolarHBondContact OD1-CA 3.43Å; D535-T537 VanDerWaalsContact OD1-CB 3.32Å; D535-T537 WeakPolarHBondContact OD1-CB 3.47Å; D535-T537 PolarHBondContact OD1-N 3.35Å; D535-T537 PolarHBondContact OD1-OG1 2.78Å; D535-T537 PolarHBondContact OD2-OG1 2.97Å; D535-Q538 HydrophobicContact CB-CB 4.34Å; D535-Q538 WeakPolarHBondContact O-CB 2.95Å; D535-Q538 PolarHBondContact O-N 3.43Å; D535-M542 WeakPolarHBondContact O-CB 2.98Å; D535-M542 WeakPolarHBondContact O-CG 3.22Å; D535-K659 HydrophobicContact CB-CB 4.44Å; D535-Y1053 HydrophobicContact CB-CD1 3.96Å
536	L	96.8	Very high	94.8	Very high	11 Å²	11	17.2 Å²	17.2	6%	0.058	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	2.8	-179.2	-49.2	-168.5	0	0	0	113.2	Y545 C546 I557 I559 L611 K659 A660	L536-Y545 HydrophobicContact CD2-CG 4.35Å; L536-C546 VanDerWaalsContact O-CA 3.31Å; L536-C546 WeakPolarHBondContact O-CA 3.27Å; L536-C546 WeakPolarHBondContact O-CB 3.38Å; L536-I557 HydrophobicContact CD1-CD1 3.67Å; L536-I559 HydrophobicContact CD2-CD1 4.07Å; L536-L611 HydrophobicContact CD1-CD1 3.98Å; L536-K659 PolarHBondContact N-O 2.68Å; L536-A660 HydrophobicContact CB-CB 4.37Å; L536-A660 HydrophobicContact CD1-CB 3.96Å; L536-A660 HydrophobicContact CG-CB 4.29Å
537	T	94.2	Very high	94.8	Very high	65 Å²	65	18.5 Å²	18.5	40%	0.399	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.7	169.7	76	0	0	0	0	112.5	D535 C539 K659 N661	D535-T537 PolarHBondContact O-N 2.89Å; D535-T537 WeakPolarHBondContact OD1-CA 3.43Å; D535-T537 VanDerWaalsContact OD1-CB 3.32Å; D535-T537 WeakPolarHBondContact OD1-CB 3.47Å; D535-T537 PolarHBondContact OD1-N 3.35Å; D535-T537 PolarHBondContact OD1-OG1 2.78Å; D535-T537 PolarHBondContact OD2-OG1 2.97Å; T537-C539 PolarHBondContact O-N 3.46Å; T537-K659 HydrophobicContact CG2-CG 4.19Å; T537-N661 HydrophobicContact CG2-CB 4.41Å
538	Q	91.9	Very high	94.7	Very high	45 Å²	45	19.7 Å²	19.7	21%	0.21	11%	0.113	C	C	.	.	S	Bend	trans	-89	89	-178.9	-166.9	-169.8	-2.9	0	0	112.2	Y533 D535 Y541 M542	Y533-Q538 PolarHBondContact OH-OE1 2.82Å; D535-Q538 HydrophobicContact CB-CB 4.34Å; D535-Q538 WeakPolarHBondContact O-CB 2.95Å; D535-Q538 PolarHBondContact O-N 3.43Å; Q538-Y541 PolarHBondContact O-N 2.87Å; Q538-M542 HydrophobicContact CB-CG 4.22Å; Q538-M542 WeakPolarHBondContact O-CB 2.93Å; Q538-M542 PolarHBondContact O-N 3.35Å
539	C	89.9	Confident	94.7	Very high	65 Å²	65	20.8 Å²	20.8	44%	0.439	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	144	172.3	-90.8	0	0	0	0	113	T537 C546	T537-C539 PolarHBondContact O-N 3.46Å; C539-C546 WeakPolarHBondContact CA-SG 3.34Å; C539-C546 HydrophobicContact CB-CB 4.17Å; C539-C546 WeakPolarHBondContact CB-SG 3.49Å; C539-C546 WeakPolarHBondContact SG-CB 3.25Å; C539-C546 PolarHBondContact SG-O 3.16Å; C539-C546 CovalentContact SG-SG 2.04Å; C539-C546 PolarHBondContact SG-SG 3.46Å
540	P	89.9	Confident	94.7	Very high	37 Å²	37	20.8 Å²	20.8	24%	0.24	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	4.5	-0.5	36.9	-37	0	0	0	113.5	Q500 S502 M542 W543	Q500-P540 HydrophobicContact CB-CG 3.47Å; Q500-P540 VanDerWaalsContact CB-CG 3.47Å; S502-P540 VanDerWaalsContact CA-O 3.28Å; S502-P540 WeakPolarHBondContact CA-O 3.22Å; S502-P540 WeakPolarHBondContact CB-O 2.91Å; P540-M542 PolarHBondContact O-N 3.25Å; P540-W543 HydrophobicContact CB-CB 4.46Å; P540-W543 WeakPolarHBondContact O-CB 3.44Å; P540-W543 PolarHBondContact O-N 2.82Å
541	Y	92.5	Very high	94.8	Very high	14 Å²	14	20.3 Å²	20.3	6%	0.055	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-41.1	-175	-172.5	-113.5	0	0	0	112.5	Q480 M503 Q506 G507 Y533 Q538	Q480-Y541 HydrophobicContact CG-CE2 4.03Å; M503-Y541 HydrophobicContact CB-CD2 4.35Å; M503-Y541 HydrophobicContact CB-CE2 3.96Å; M503-Y541 WeakPolarHBondContact CB-O 3.23Å; M503-Y541 PolarHBondContact N-O 3.03Å; Q506-Y541 HydrophobicContact CG-CE2 4.12Å; G507-Y541 PolarHBondContact O-OH 2.98Å; Y533-Y541 VanDerWaalsContact OH-CE1 3.3Å; Y533-Y541 WeakPolarHBondContact OH-CE1 3.29Å; Q538-Y541 PolarHBondContact O-N 2.87Å
542	M	94.4	Very high	94.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	16.3	179	-64.5	-88.5	145	0	0	113.4	M503 Y533 D535 Q538 P540 Y545 C546	M503-M542 HydrophobicContact CE-CB 4.21Å; M503-M542 HydrophobicContact CE-CE 3.35Å; M503-M542 HydrophobicContact CE-CG 3.98Å; M503-M542 HydrophobicContact CE-SD 3.15Å; M503-M542 WeakPolarHBondContact CE-SD 3.26Å; M503-M542 HydrophobicContact SD-CE 4.48Å; Y533-M542 HydrophobicContact CD2-CE 4.18Å; Y533-M542 HydrophobicContact CE2-CE 3.68Å; D535-M542 WeakPolarHBondContact O-CB 2.98Å; D535-M542 WeakPolarHBondContact O-CG 3.22Å; Q538-M542 HydrophobicContact CB-CG 4.22Å; Q538-M542 WeakPolarHBondContact O-CB 2.93Å; Q538-M542 PolarHBondContact O-N 3.35Å; P540-M542 PolarHBondContact O-N 3.25Å; M542-Y545 WeakPolarHBondContact O-CA 3.31Å; M542-Y545 WeakPolarHBondContact O-CB 3.34Å; M542-Y545 PolarHBondContact O-N 2.84Å; M542-C546 VanDerWaalsContact C-SG 3.55Å; M542-C546 HydrophobicContact CB-CB 4.08Å; M542-C546 PolarHBondContact O-N 3.3Å; M542-C546 VanDerWaalsContact O-N 3.1Å
543	W	93.3	Very high	94.6	Very high	30 Å²	30	21.8 Å²	21.8	11%	0.114	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	141.7	171.7	-177.7	91.8	0	0	0	110.2	F349 F504 P540 C546 H707 L711	F349-W543 HydrophobicContact CD1-CE3 4.36Å; F349-W543 HydrophobicContact CD1-CH2 4.13Å; F349-W543 AromaticContact CD1-CZ3 3.49Å; F349-W543 HydrophobicContact CD1-CZ3 3.49Å; F349-W543 VanDerWaalsContact CD1-CZ3 3.49Å; F349-W543 AromaticContact CE1-CE3 3.78Å; F349-W543 HydrophobicContact CE1-CE3 3.78Å; F349-W543 HydrophobicContact CE1-CH2 4.22Å; F349-W543 AromaticContact CE1-CZ3 3.35Å; F349-W543 HydrophobicContact CE1-CZ3 3.35Å; F349-W543 HydrophobicContact CG-CH2 4.46Å; F349-W543 HydrophobicContact CG-CZ3 4.25Å; F349-W543 HydrophobicContact CZ-CE3 4.26Å; F349-W543 AromaticContact CZ-CZ3 3.98Å; F349-W543 HydrophobicContact CZ-CZ3 3.98Å; F504-W543 WeakPolarHBondContact CD2-O 3.32Å; F504-W543 WeakPolarHBondContact CE2-O 3.33Å; P540-W543 HydrophobicContact CB-CB 4.46Å; P540-W543 WeakPolarHBondContact O-CB 3.44Å; P540-W543 PolarHBondContact O-N 2.82Å; W543-C546 PolarHBondContact N-SG 2.9Å; W543-C546 VanDerWaalsContact N-SG 3.4Å; W543-H707 HydrophobicContact CH2-CB 3.75Å; W543-H707 WeakPolarHBondContact CH2-O 3.43Å; W543-H707 HydrophobicContact CZ2-CB 4.21Å; W543-H707 AromaticContact CZ2-CD2 3.93Å; W543-L711 HydrophobicContact CH2-CD1 3.62Å; W543-L711 HydrophobicContact CZ2-CD1 3.18Å
544	P	93.3	Very high	94.4	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.032	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84	-7.3	2.4	34.3	-35.5	0	0	0	114.2	M381 Y390 C546 S547	M381-P544 HydrophobicContact CE-CG 4.19Å; Y390-P544 HydrophobicContact CD1-CG 4.08Å; Y390-P544 HydrophobicContact CE1-CG 4.1Å; P544-C546 PolarHBondContact O-N 2.79Å; P544-C546 VanDerWaalsContact O-N 3.09Å; P544-S547 PolarHBondContact O-N 2.82Å; P544-S547 PolarHBondContact O-OG 2.8Å
545	Y	95.7	Very high	94.2	Very high	8 Å²	8	24 Å²	24	3%	0.031	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.5	-173.2	-46.6	-60.4	0	0	0	113.9	Y390 F504 L536 M542 I557 I558 I559	Y390-Y545 HydrophobicContact CD1-CD1 4.23Å; Y390-Y545 AromaticContact CD1-CE1 3.52Å; Y390-Y545 HydrophobicContact CD1-CE1 3.52Å; Y390-Y545 HydrophobicContact CE1-CD1 4.34Å; Y390-Y545 HydrophobicContact CE1-CE1 4.07Å; Y390-Y545 AromaticContact CG-CE1 3.81Å; Y390-Y545 HydrophobicContact CG-CE1 3.81Å; F504-Y545 AromaticContact CE2-CE2 3.88Å; F504-Y545 HydrophobicContact CE2-CE2 3.88Å; F504-Y545 AromaticContact CZ-CE2 3.85Å; F504-Y545 HydrophobicContact CZ-CE2 3.85Å; L536-Y545 HydrophobicContact CD2-CG 4.35Å; M542-Y545 WeakPolarHBondContact O-CA 3.31Å; M542-Y545 WeakPolarHBondContact O-CB 3.34Å; M542-Y545 PolarHBondContact O-N 2.84Å; Y545-I557 HydrophobicContact CD1-CD1 4.22Å; Y545-I558 WeakPolarHBondContact CE1-O 3.36Å; Y545-I559 HydrophobicContact CD1-CD1 4.34Å; Y545-I559 HydrophobicContact CD1-CG1 3.76Å; Y545-I559 HydrophobicContact CD2-CD1 4.47Å; Y545-I559 HydrophobicContact CD2-CG1 4.2Å; Y545-I559 HydrophobicContact CD2-CG2 4.46Å; Y545-I559 HydrophobicContact CE1-CB 4.48Å; Y545-I559 HydrophobicContact CE1-CG1 3.69Å; Y545-I559 HydrophobicContact CE2-CG1 4.15Å; Y545-I559 HydrophobicContact CE2-CG2 3.93Å; Y545-I559 HydrophobicContact CG-CD1 4.19Å; Y545-I559 HydrophobicContact CG-CG1 4Å
546	C	95.2	Very high	94	Very high	15 Å²	15	25.1 Å²	25.1	10%	0.101	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.4	177.2	74.5	0	0	0	0	114.5	L536 C539 M542 W543 P544 Q548	L536-C546 VanDerWaalsContact O-CA 3.31Å; L536-C546 WeakPolarHBondContact O-CA 3.27Å; L536-C546 WeakPolarHBondContact O-CB 3.38Å; C539-C546 WeakPolarHBondContact CA-SG 3.34Å; C539-C546 HydrophobicContact CB-CB 4.17Å; C539-C546 WeakPolarHBondContact CB-SG 3.49Å; C539-C546 WeakPolarHBondContact SG-CB 3.25Å; C539-C546 PolarHBondContact SG-O 3.16Å; C539-C546 CovalentContact SG-SG 2.04Å; C539-C546 PolarHBondContact SG-SG 3.46Å; M542-C546 VanDerWaalsContact C-SG 3.55Å; M542-C546 HydrophobicContact CB-CB 4.08Å; M542-C546 PolarHBondContact O-N 3.3Å; M542-C546 VanDerWaalsContact O-N 3.1Å; W543-C546 PolarHBondContact N-SG 2.9Å; W543-C546 VanDerWaalsContact N-SG 3.4Å; P544-C546 PolarHBondContact O-N 2.79Å; P544-C546 VanDerWaalsContact O-N 3.09Å; C546-Q548 PolarHBondContact O-N 3.22Å
547	S	93.6	Very high	93.8	Very high	29 Å²	29	25.3 Å²	25.3	20%	0.203	15%	0.148	C	C	.	.	S	Bend	trans	-74.5	-9.8	-172.8	45.6	0	0	0	0	114.5	P544 Y714 R718	P544-S547 PolarHBondContact O-N 2.82Å; P544-S547 PolarHBondContact O-OG 2.8Å; S547-Y714 WeakPolarHBondContact CB-OH 3.46Å; S547-Y714 WeakPolarHBondContact OG-CE1 2.85Å; S547-Y714 PolarHBondContact OG-OH 3.23Å; S547-R718 PolarHBondContact O-NE 3.12Å; S547-R718 VanDerWaalsContact O-NE 3.07Å; S547-R718 PolarHBondContact O-NH2 3.15Å
548	Q	95.5	Very high	93.7	Very high	25 Å²	25	22.5 Å²	22.5	12%	0.117	13%	0.13	C	C	.	.	S	Bend	trans	-145.8	147.2	165.2	67.2	-175.6	42.6	0	0	111.3	C546 F723 I724	C546-Q548 PolarHBondContact O-N 3.22Å; Q548-F723 HydrophobicContact CB-CD1 4.31Å; Q548-I724 PolarHBondContact NE2-O 3.02Å; Q548-I724 PolarHBondContact OE1-O 2.71Å
549	P	96.6	Very high	93.9	Very high	29 Å²	29	20.4 Å²	20.4	19%	0.188	12%	0.121	C	C	.	.			trans	-72.2	160.3	175.1	31.8	-37.3	0	0	0	111.9	N661 V663 F723	P549-N661 HydrophobicContact CB-CB 4.35Å; P549-V663 HydrophobicContact CB-CB 4.39Å; P549-V663 HydrophobicContact CB-CG1 3.7Å; P549-V663 HydrophobicContact CB-CG2 3.9Å; P549-V663 HydrophobicContact CG-CB 4.2Å; P549-V663 HydrophobicContact CG-CG1 3.64Å; P549-V663 HydrophobicContact CG-CG2 3.47Å; P549-V663 VanDerWaalsContact CG-CG2 3.47Å; P549-F723 HydrophobicContact CG-CE1 3.96Å
550	L	97.6	Very high	94.1	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-78.4	154.4	172	-54.8	-178.3	0	0	0	111	M554 I557 L590 L611 V613 A660 N661 I662 V663	L550-M554 VanDerWaalsContact CA-SD 3.5Å; L550-M554 HydrophobicContact CB-SD 3.79Å; L550-M554 HydrophobicContact CD2-CE 4.41Å; L550-M554 HydrophobicContact CD2-SD 3.6Å; L550-M554 VanDerWaalsContact CD2-SD 3.6Å; L550-M554 HydrophobicContact CG-SD 4.3Å; L550-I557 HydrophobicContact CD2-CD1 4Å; L550-I557 HydrophobicContact CD2-CG1 4.32Å; L550-L590 HydrophobicContact CD1-CD2 4.03Å; L550-L611 HydrophobicContact CD1-CB 4.4Å; L550-V613 HydrophobicContact CB-CG2 3.67Å; L550-A660 HydrophobicContact CD1-CB 3.74Å; L550-A660 HydrophobicContact CG-CB 4.45Å; L550-N661 PolarHBondContact N-O 2.58Å; L550-I662 HydrophobicContact CB-CG1 4.45Å; L550-I662 CarbonylContact O-C 3.53Å; L550-I662 VanDerWaalsContact O-CA 3.25Å; L550-I662 WeakPolarHBondContact O-CA 3.15Å; L550-V663 PolarHBondContact O-N 2.95Å
551	Y	97.1	Very high	94.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.			trans	-153.2	158.3	172.1	49.8	-96.1	0	0	0	110.6	M554 V663 P666 F723 E725	Y551-M554 HydrophobicContact CD1-CE 3.53Å; Y551-M554 HydrophobicContact CD2-CB 3.85Å; Y551-M554 HydrophobicContact CD2-CE 4.19Å; Y551-M554 HydrophobicContact CE1-CE 3.34Å; Y551-M554 HydrophobicContact CE2-CB 3.52Å; Y551-M554 HydrophobicContact CE2-CE 4Å; Y551-M554 HydrophobicContact CG-CE 3.97Å; Y551-M554 PolarHBondContact N-SD 2.78Å; Y551-M554 WeakPolarHBondContact O-CG 3Å; Y551-M554 PolarHBondContact O-N 2.82Å; Y551-V663 WeakPolarHBondContact CB-O 3.27Å; Y551-V663 HydrophobicContact CD1-CG2 4.17Å; Y551-P666 HydrophobicContact CD1-CG 3.7Å; Y551-P666 VanDerWaalsContact CD2-CD 3.47Å; Y551-P666 HydrophobicContact CD2-CG 4.34Å; Y551-P666 HydrophobicContact CE1-CG 3.66Å; Y551-P666 HydrophobicContact CE2-CG 4.33Å; Y551-P666 HydrophobicContact CG-CG 4.05Å; Y551-F723 HydrophobicContact CD1-CD1 4.22Å; Y551-F723 HydrophobicContact CD1-CE1 4.4Å; Y551-F723 HydrophobicContact CE1-CB 4.05Å; Y551-F723 AromaticContact CE1-CD1 3.49Å; Y551-F723 HydrophobicContact CE1-CD1 3.49Å; Y551-F723 VanDerWaalsContact CE1-CD1 3.49Å; Y551-F723 HydrophobicContact CE1-CE1 4.1Å; Y551-F723 AromaticContact CE1-CG 3.91Å; Y551-F723 HydrophobicContact CE1-CG 3.91Å; Y551-F723 WeakPolarHBondContact OH-CB 3.48Å; Y551-E725 WeakPolarHBondContact CE2-OE1 3.48Å; Y551-E725 VanDerWaalsContact OH-CD 3.24Å; Y551-E725 PolarHBondContact OH-OE1 2.98Å
552	S	94.9	Very high	94.6	Very high	12 Å²	12	15.8 Å²	15.8	8%	0.084	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	147.6	178.3	-166.6	0	0	0	0	111.3	M554 T614 I665	S552-M554 VanDerWaalsContact C-N 3.31Å; S552-M554 PolarHBondContact O-N 3.37Å; S552-T614 PolarHBondContact OG-O 3.28Å; S552-I665 WeakPolarHBondContact O-CG1 2.93Å
553	S	92.9	Very high	94.8	Very high	41 Å²	41	15.8 Å²	15.8	29%	0.287	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	8.1	-176.3	79.4	0	0	0	0	117.3	R671 N738	S553-R671 PolarHBondContact O-NH2 2.88Å; S553-R671 PolarHBondContact OG-NH1 3.23Å; S553-N738 PolarHBondContact O-ND2 2.83Å
554	M	93.7	Very high	95	Very high	16 Å²	16	14.4 Å²	14.4	8%	0.079	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-79.9	159.2	173.2	77.5	-176.8	-11.7	0	0	113.2	L550 Y551 S552 E725	L550-M554 VanDerWaalsContact CA-SD 3.5Å; L550-M554 HydrophobicContact CB-SD 3.79Å; L550-M554 HydrophobicContact CD2-CE 4.41Å; L550-M554 HydrophobicContact CD2-SD 3.6Å; L550-M554 VanDerWaalsContact CD2-SD 3.6Å; L550-M554 HydrophobicContact CG-SD 4.3Å; Y551-M554 HydrophobicContact CD1-CE 3.53Å; Y551-M554 HydrophobicContact CD2-CB 3.85Å; Y551-M554 HydrophobicContact CD2-CE 4.19Å; Y551-M554 HydrophobicContact CE1-CE 3.34Å; Y551-M554 HydrophobicContact CE2-CB 3.52Å; Y551-M554 HydrophobicContact CE2-CE 4Å; Y551-M554 HydrophobicContact CG-CE 3.97Å; Y551-M554 PolarHBondContact N-SD 2.78Å; Y551-M554 WeakPolarHBondContact O-CG 3Å; Y551-M554 PolarHBondContact O-N 2.82Å; S552-M554 VanDerWaalsContact C-N 3.31Å; S552-M554 PolarHBondContact O-N 3.37Å; M554-E725 VanDerWaalsContact C-OE2 3.31Å; M554-E725 WeakPolarHBondContact CA-OE2 3.4Å; M554-E725 WeakPolarHBondContact CB-OE2 3.04Å
555	Q	92.1	Very high	95.2	Very high	36 Å²	36	14.1 Å²	14.1	17%	0.168	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-62.4	141.4	164.4	-66.2	-48.7	-70.9	0	0	111	L673 E725 Y739	Q555-L673 HydrophobicContact CG-CD1 3.96Å; Q555-E725 HydrophobicContact CB-CB 4.37Å; Q555-E725 HydrophobicContact CG-CB 4.33Å; Q555-E725 PolarHBondContact N-OE2 3.25Å; Q555-Y739 WeakPolarHBondContact CG-OH 3.48Å; Q555-Y739 PolarHBondContact NE2-OH 3.01Å
556	P	91.8	Very high	95.1	Very high	40 Å²	40	13.8 Å²	13.8	26%	0.26	8%	0.083	S	C	.	.	P	Polyproline II helix	trans	-63.6	139.9	176.5	27.9	-33.7	0	0	0	110.8	L611	P556-L611 VanDerWaalsContact CA-O 3.29Å; P556-L611 WeakPolarHBondContact CA-O 3.28Å
557	I	93.3	Very high	95	Very high	15 Å²	15	13.6 Å²	13.6	8%	0.077	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	144.3	165.2	64.7	170.7	0	0	0	109.1	Y390 L536 Y545 L550 I559 Y610 L611	Y390-I557 HydrophobicContact CE2-CB 4.27Å; L536-I557 HydrophobicContact CD1-CD1 3.67Å; Y545-I557 HydrophobicContact CD1-CD1 4.22Å; L550-I557 HydrophobicContact CD2-CD1 4Å; L550-I557 HydrophobicContact CD2-CG1 4.32Å; I557-I559 HydrophobicContact CD1-CD1 4.18Å; I557-Y610 CarbonylContact O-C 3.51Å; I557-Y610 WeakPolarHBondContact O-CA 3.25Å; I557-L611 HydrophobicContact CD1-CB 4.31Å; I557-L611 HydrophobicContact CG1-CB 3.79Å; I557-L611 PolarHBondContact N-O 3.42Å; I557-L611 PolarHBondContact O-N 3.47Å
558	I	93	Very high	95	Very high	5 Å²	5	14 Å²	14	3%	0.026	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128	-179.8	-58.4	168.1	0	0	0	107.5	A388 Y390 Y545 A608 V609 Y610	A388-I558 WeakPolarHBondContact O-CD1 3.05Å; Y390-I558 VanDerWaalsContact CB-O 3.27Å; Y390-I558 WeakPolarHBondContact CB-O 3.25Å; Y390-I558 HydrophobicContact CD2-CB 4.07Å; Y390-I558 WeakPolarHBondContact CD2-O 3.4Å; Y545-I558 WeakPolarHBondContact CE1-O 3.36Å; I558-A608 HydrophobicContact CG2-CB 4.42Å; I558-V609 WeakPolarHBondContact CA-O 3.49Å; I558-Y610 HydrophobicContact CD1-CD1 3.91Å; I558-Y610 HydrophobicContact CD1-CE1 3.59Å; I558-Y610 HydrophobicContact CG1-CD1 3.51Å; I558-Y610 HydrophobicContact CG1-CE1 3.67Å; I558-Y610 HydrophobicContact CG1-CG 4.31Å; I558-Y610 HydrophobicContact CG2-CE1 4.44Å
559	I	95.4	Very high	94.9	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.7	177.7	-55.2	167.6	0	0	0	108	L534 L536 Y545 I557 I561 A608 V609 L611	L534-I559 HydrophobicContact CD1-CB 4.37Å; L534-I559 HydrophobicContact CD1-CD1 3.9Å; L534-I559 HydrophobicContact CD1-CG2 4.3Å; L534-I559 HydrophobicContact CD2-CD1 4.39Å; L534-I559 HydrophobicContact CD2-CG2 3.61Å; L536-I559 HydrophobicContact CD2-CD1 4.07Å; Y545-I559 HydrophobicContact CD1-CD1 4.34Å; Y545-I559 HydrophobicContact CD1-CG1 3.76Å; Y545-I559 HydrophobicContact CD2-CD1 4.47Å; Y545-I559 HydrophobicContact CD2-CG1 4.2Å; Y545-I559 HydrophobicContact CD2-CG2 4.46Å; Y545-I559 HydrophobicContact CE1-CB 4.48Å; Y545-I559 HydrophobicContact CE1-CG1 3.69Å; Y545-I559 HydrophobicContact CE2-CG1 4.15Å; Y545-I559 HydrophobicContact CE2-CG2 3.93Å; Y545-I559 HydrophobicContact CG-CD1 4.19Å; Y545-I559 HydrophobicContact CG-CG1 4Å; I557-I559 HydrophobicContact CD1-CD1 4.18Å; I559-I561 HydrophobicContact CG2-CD1 4.24Å; I559-I561 VanDerWaalsContact O-CD1 3.28Å; I559-I561 WeakPolarHBondContact O-CD1 3.47Å; I559-A608 WeakPolarHBondContact O-CA 3.31Å; I559-V609 PolarHBondContact N-O 3.37Å; I559-V609 PolarHBondContact O-N 3.46Å; I559-L611 HydrophobicContact CD1-CD1 3.63Å; I559-L611 HydrophobicContact CD1-CG 4.38Å
560	N	94.5	Very high	94.8	Very high	9 Å²	9	15.2 Å²	15.2	5%	0.048	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	115.9	-178	-81.2	-42.5	0	0	0	111.5	E385 Y390 R392 A608	E385-N560 WeakPolarHBondContact CB-ND2 3.48Å; Y390-N560 PolarHBondContact O-ND2 2.78Å; R392-N560 HydrophobicContact CB-CB 4.27Å; N560-A608 WeakPolarHBondContact OD1-CB 3.35Å
561	I	96.4	Very high	94.7	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.1	178.7	-57.4	100.2	0	0	0	109.6	L529 P531 L534 I559 Y606 L607 V609 L656	L529-I561 HydrophobicContact CB-CG2 3.93Å; L529-I561 HydrophobicContact CD2-CG2 4.02Å; L529-I561 HydrophobicContact CG-CG2 4.44Å; P531-I561 HydrophobicContact CG-CG1 4.4Å; P531-I561 WeakPolarHBondContact O-CG2 3.16Å; L534-I561 HydrophobicContact CD1-CD1 4.34Å; L534-I561 HydrophobicContact CD2-CD1 4.5Å; L534-I561 HydrophobicContact CD2-CG1 4.41Å; I559-I561 HydrophobicContact CG2-CD1 4.24Å; I559-I561 VanDerWaalsContact O-CD1 3.28Å; I559-I561 WeakPolarHBondContact O-CD1 3.47Å; I561-Y606 CarbonylContact O-C 3.59Å; I561-Y606 WeakPolarHBondContact O-CA 3.07Å; I561-L607 WeakPolarHBondContact CA-O 3.3Å; I561-L607 HydrophobicContact CB-CB 4.26Å; I561-L607 WeakPolarHBondContact CB-O 3.18Å; I561-L607 WeakPolarHBondContact CD1-O 3.17Å; I561-L607 PolarHBondContact N-O 3.3Å; I561-L607 PolarHBondContact O-N 2.91Å; I561-V609 HydrophobicContact CD1-CB 4.15Å; I561-V609 HydrophobicContact CD1-CG2 3.58Å; I561-L656 HydrophobicContact CD1-CD2 3.73Å; I561-L656 HydrophobicContact CG1-CD2 4.09Å
562	T	96.9	Very high	94.7	Very high	9 Å²	9	20.2 Å²	20.2	6%	0.055	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.3	173.4	-50.6	0	0	0	0	109.7	M359 R392 L529 M530 L564	M359-T562 HydrophobicContact CB-CG2 4.33Å; M359-T562 HydrophobicContact CG-CG2 4.35Å; M359-T562 HydrophobicContact SD-CG2 4.45Å; R392-T562 WeakPolarHBondContact CD-OG1 3.28Å; L529-T562 WeakPolarHBondContact CA-O 3.48Å; M530-T562 PolarHBondContact N-O 2.92Å; M530-T562 PolarHBondContact O-N 2.77Å; T562-L564 HydrophobicContact CG2-CD2 3.89Å
563	I	98.1	Very high	94.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.1	171.1	-51.7	175.9	0	0	0	107.7	L529 I573 L600 V604 G605 L607 L637 V639 L654	L529-I563 HydrophobicContact CD2-CB 4.48Å; L529-I563 HydrophobicContact CD2-CG1 3.91Å; I563-I573 HydrophobicContact CD1-CD1 3.67Å; I563-L600 HydrophobicContact CB-CD2 4.3Å; I563-L600 HydrophobicContact CD1-CD2 4.17Å; I563-L600 HydrophobicContact CG2-CD1 3.8Å; I563-L600 HydrophobicContact CG2-CD2 4.32Å; I563-V604 VanDerWaalsContact O-CA 3.25Å; I563-V604 WeakPolarHBondContact O-CA 3.42Å; I563-G605 PolarHBondContact N-O 2.58Å; I563-G605 PolarHBondContact O-N 2.58Å; I563-G605 VanDerWaalsContact O-N 3.08Å; I563-L607 HydrophobicContact CD1-CB 4.13Å; I563-L607 HydrophobicContact CG1-CB 4.16Å; I563-L637 HydrophobicContact CD1-CD1 4.04Å; I563-V639 HydrophobicContact CG2-CG2 4.05Å; I563-L654 HydrophobicContact CG2-CD1 4.28Å
564	L	97.6	Very high	94.9	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.7	179	-61.9	179.7	0	0	0	108.5	I468 K471 Q472 I475 A527 S528 M530 T562 V604	I468-L564 HydrophobicContact CD1-CD2 4.4Å; I468-L564 HydrophobicContact CG2-CB 3.63Å; I468-L564 HydrophobicContact CG2-CD2 4.36Å; I468-L564 HydrophobicContact CG2-CG 4.49Å; K471-L564 HydrophobicContact CD-CD2 4.42Å; Q472-L564 HydrophobicContact CG-CB 3.98Å; Q472-L564 HydrophobicContact CG-CD1 4.13Å; Q472-L564 PolarHBondContact NE2-O 2.91Å; Q472-L564 VanDerWaalsContact NE2-O 3.12Å; I475-L564 HydrophobicContact CD1-CD1 3.69Å; A527-L564 CarbonylContact C-O 3.46Å; A527-L564 WeakPolarHBondContact CA-O 3.4Å; S528-L564 PolarHBondContact N-O 2.93Å; S528-L564 PolarHBondContact O-N 2.9Å; M530-L564 HydrophobicContact CB-CD1 4.31Å; T562-L564 HydrophobicContact CG2-CD2 3.89Å; L564-V604 HydrophobicContact CD2-CG1 3.9Å
565	N	96.2	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.9	178.7	-178.9	35.2	0	0	0	112.1	M567 D568 L600 W603 S641	N565-M567 VanDerWaalsContact OD1-CB 3.28Å; N565-M567 WeakPolarHBondContact OD1-CB 3.21Å; N565-M567 WeakPolarHBondContact OD1-CE 3Å; N565-M567 WeakPolarHBondContact OD1-CG 3.47Å; N565-M567 PolarHBondContact OD1-N 2.95Å; N565-D568 PolarHBondContact ND2-O 2.82Å; N565-L600 HydrophobicContact CB-CD1 3.85Å; N565-W603 WeakPolarHBondContact CA-O 3.4Å; N565-W603 WeakPolarHBondContact CB-O 3.22Å; N565-W603 PolarHBondContact N-O 2.65Å; N565-S641 PolarHBondContact ND2-OG 3.49Å
566	S	94.8	Very high	95	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	15%	0.151	C	C	.	.			trans	-94.9	2.1	174.2	61.4	0	0	0	0	114.3	N466 Q472 Q526	N466-S566 PolarHBondContact ND2-O 3.32Å; Q472-S566 PolarHBondContact OE1-OG 3.3Å; Q526-S566 PolarHBondContact N-OG 3.47Å; Q526-S566 VanDerWaalsContact N-OG 3.14Å; Q526-S566 PolarHBondContact O-N 3.4Å; Q526-S566 PolarHBondContact O-OG 3.05Å
567	M	93.6	Very high	95.3	Very high	11 Å²	11	27.1 Å²	27.1	5%	0.054	14%	0.139	C	C	.	.	S	Bend	trans	-73.2	-47.4	-177.5	-64	-175.7	-69.2	0	0	112.9	P525 A527 N565 V639 L650 T652	P525-M567 HydrophobicContact CB-CG 4.26Å; A527-M567 HydrophobicContact CB-CE 4.33Å; N565-M567 VanDerWaalsContact OD1-CB 3.28Å; N565-M567 WeakPolarHBondContact OD1-CB 3.21Å; N565-M567 WeakPolarHBondContact OD1-CE 3Å; N565-M567 WeakPolarHBondContact OD1-CG 3.47Å; N565-M567 PolarHBondContact OD1-N 2.95Å; M567-V639 HydrophobicContact CE-CB 4.23Å; M567-V639 HydrophobicContact CE-CG1 3.76Å; M567-L650 HydrophobicContact CB-CB 4.29Å; M567-L650 HydrophobicContact CB-CD1 3.78Å; M567-L650 HydrophobicContact CG-CB 4.09Å; M567-L650 HydrophobicContact CG-CD1 3.96Å; M567-L650 HydrophobicContact SD-CB 3.42Å; M567-L650 WeakPolarHBondContact SD-CB 2.76Å; M567-L650 HydrophobicContact SD-CD1 4.38Å; M567-T652 PolarHBondContact SD-OG1 2.96Å; M567-T652 VanDerWaalsContact SD-OG1 3.42Å
568	D	92.7	Very high	95.5	Very high	36 Å²	36	29 Å²	29	19%	0.193	15%	0.149	C	C	.	.			trans	-159.9	166.4	173.5	-165.2	14.2	0	0	0	110	N565 V570 W603	N565-D568 PolarHBondContact ND2-O 2.82Å; D568-V570 PolarHBondContact O-N 3.19Å; D568-W603 VanDerWaalsContact O-CE3 3.25Å
569	V	93.3	Very high	95.7	Very high	32 Å²	32	28.9 Å²	28.9	19%	0.194	15%	0.148	C	C	.	.	S	Bend	trans	-63	-24.7	-179.2	66	0	0	0	0	112.7	A333 P602 W603	A333-V569 HydrophobicContact CB-CG2 4.36Å; V569-P602 HydrophobicContact CG2-CB 3.94Å; V569-W603 VanDerWaalsContact CA-CE3 3.46Å; V569-W603 HydrophobicContact CB-CD2 4.07Å; V569-W603 HydrophobicContact CB-CE3 4.27Å; V569-W603 HydrophobicContact CB-CH2 3.79Å; V569-W603 HydrophobicContact CB-CZ2 3.59Å; V569-W603 HydrophobicContact CB-CZ3 4.15Å; V569-W603 HydrophobicContact CG2-CD2 4.2Å; V569-W603 HydrophobicContact CG2-CG 4.49Å; V569-W603 HydrophobicContact CG2-CZ2 3.92Å; V569-W603 PolarHBondContact O-N 2.75Å
570	V	94.5	Very high	95.8	Very high	49 Å²	49	29.5 Å²	29.5	30%	0.297	15%	0.151	S	C	.	.			trans	-113.8	126.2	172.3	178.9	0	0	0	0	109.2	D568 L600 S641	D568-V570 PolarHBondContact O-N 3.19Å; V570-L600 WeakPolarHBondContact CA-O 3.3Å; V570-S641 PolarHBondContact O-OG 3.37Å
571	G	95.4	Very high	95.9	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	165.4	167.9	0	0	0	0	0	112.1	Y599 L600 E640 S641	G571-Y599 CarbonylContact O-C 3.54Å; G571-Y599 WeakPolarHBondContact O-CA 3.47Å; G571-L600 PolarHBondContact N-O 3.39Å; G571-L600 PolarHBondContact O-N 3.25Å; G571-E640 CarbonylContact C-O 2.88Å; G571-E640 WeakPolarHBondContact CA-O 3.13Å; G571-S641 WeakPolarHBondContact CA-OG 3.37Å
572	R	96.7	Very high	95.9	Very high	107 Å²	107	29.6 Å²	29.6	40%	0.404	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.3	173.8	-177.3	-173.5	171.5	-175.2	1.6	110.7	Q598 Y599 V639 E640	R572-Q598 WeakPolarHBondContact CA-O 3.46Å; R572-Q598 WeakPolarHBondContact CG-O 3.19Å; R572-Y599 HydrophobicContact CB-CD1 4.26Å; R572-Y599 HydrophobicContact CG-CD1 4.18Å; R572-Y599 HydrophobicContact CG-CE1 4.12Å; R572-V639 WeakPolarHBondContact O-CA 3.5Å; R572-E640 PolarHBondContact N-O 3.08Å; R572-E640 PolarHBondContact O-N 2.55Å
573	I	97.3	Very high	95.6	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.6	165	-67.2	174.1	0	0	0	108.5	I563 K575 Y596 Q598 L637 V639	I563-I573 HydrophobicContact CD1-CD1 3.67Å; I573-K575 WeakPolarHBondContact CG2-O 3.46Å; I573-K575 PolarHBondContact O-N 2.61Å; I573-Y596 HydrophobicContact CB-CD2 4.22Å; I573-Y596 HydrophobicContact CB-CE2 4.14Å; I573-Y596 HydrophobicContact CD1-CD2 3.55Å; I573-Y596 HydrophobicContact CD1-CE2 4.32Å; I573-Y596 HydrophobicContact CD1-CG 4.16Å; I573-Y596 HydrophobicContact CG1-CD2 4.46Å; I573-Y596 HydrophobicContact CG2-CD2 4.17Å; I573-Y596 HydrophobicContact CG2-CE2 3.9Å; I573-Q598 PolarHBondContact N-O 3.09Å; I573-L637 HydrophobicContact CD1-CD1 3.69Å; I573-L637 HydrophobicContact CG1-CD1 3.9Å; I573-V639 HydrophobicContact CG1-CG2 4.4Å
574	T	94.6	Very high	95.3	Very high	46 Å²	46	37.3 Å²	37.3	28%	0.282	19%	0.191	S	C	.	.			trans	-69.8	-35.2	-169.2	57.5	0	0	0	0	113.5	V638 E640	T574-V638 PolarHBondContact N-O 3.45Å; T574-V638 PolarHBondContact OG1-O 3.47Å; T574-E640 HydrophobicContact CG2-CB 3.44Å; T574-E640 VanDerWaalsContact CG2-CB 3.44Å; T574-E640 HydrophobicContact CG2-CG 4.38Å
575	K	94.1	Very high	95.1	Very high	155 Å²	155	40.7 Å²	40.7	67%	0.674	20%	0.204	S	C	*	.	S	Bend	trans	-143.7	156	-179	-65.5	-178.2	-177.3	177.2	0	109.7	I573	I573-K575 WeakPolarHBondContact CG2-O 3.46Å; I573-K575 PolarHBondContact O-N 2.61Å
576	P	95.5	Very high	95	Very high	82 Å²	82	42.9 Å²	42.9	53%	0.532	22%	0.216	S	C	.	.			trans	-50.8	136.4	173.7	-26.3	35	0	0	0	111.9	Y596	P576-Y596 WeakPolarHBondContact CA-OH 3.42Å
577	P	96.8	Very high	95	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.019	22%	0.216	C	C	.	.			trans	-56.7	147.7	174.2	-26	35.8	0	0	0	112.3	I594 Y596 L607 V635 S636 L637	P577-I594 HydrophobicContact CB-CD1 3.8Å; P577-I594 HydrophobicContact CB-CG2 4.1Å; P577-I594 HydrophobicContact CG-CG2 4.04Å; P577-Y596 VanDerWaalsContact CD-CD1 3.46Å; P577-Y596 HydrophobicContact CG-CD1 3.83Å; P577-Y596 HydrophobicContact CG-CE1 4.12Å; P577-Y596 HydrophobicContact CG-CG 4.13Å; P577-L607 HydrophobicContact CG-CD1 4.14Å; P577-V635 HydrophobicContact CB-CG1 3.92Å; P577-S636 WeakPolarHBondContact CA-O 3.24Å; P577-L637 HydrophobicContact CB-CB 4.14Å; P577-L637 HydrophobicContact CG-CB 4.04Å
578	I	97.7	Very high	95	Very high	53 Å²	53	45.1 Å²	45.1	27%	0.272	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.2	-174.8	-54	172.6	0	0	0	108.4	H580 V635 S636 S1040 L1042	I578-H580 PolarHBondContact O-CD2 3.37Å; I578-V635 CarbonylContact O-C 3.48Å; I578-V635 WeakPolarHBondContact O-CA 3.37Å; I578-S636 PolarHBondContact N-O 2.8Å; I578-S636 PolarHBondContact O-N 2.82Å; I578-S1040 CarbonylContact C-O 3.59Å; I578-S1040 WeakPolarHBondContact CA-O 3.45Å; I578-S1040 WeakPolarHBondContact CG1-OG 3.06Å; I578-S1040 WeakPolarHBondContact CG2-O 3.43Å; I578-L1042 HydrophobicContact CG2-CB 3.75Å
579	Y	97.8	Very high	95	Very high	3 Å²	3	44 Å²	44	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.5	170.1	176.8	-124	0	0	0	110.9	P581 G587 V592 Y634 V635 S1040 I1041 L1042	Y579-P581 HydrophobicContact CD1-CB 4.48Å; Y579-P581 HydrophobicContact CE1-CB 3.71Å; Y579-P581 HydrophobicContact CE1-CG 4.18Å; Y579-P581 WeakPolarHBondContact O-CD 3.3Å; Y579-G587 PolarHBondContact OH-O 2.89Å; Y579-V592 HydrophobicContact CD1-CB 4Å; Y579-V592 HydrophobicContact CD1-CG2 3.82Å; Y579-V592 HydrophobicContact CD2-CB 4.08Å; Y579-V592 HydrophobicContact CD2-CG1 4.3Å; Y579-V592 HydrophobicContact CD2-CG2 3.7Å; Y579-V592 HydrophobicContact CE1-CB 4.42Å; Y579-V592 HydrophobicContact CE1-CG2 3.75Å; Y579-V592 HydrophobicContact CE2-CG2 3.65Å; Y579-V592 HydrophobicContact CG-CB 3.82Å; Y579-V592 HydrophobicContact CG-CG1 4.32Å; Y579-V592 HydrophobicContact CG-CG2 3.8Å; Y579-Y634 WeakPolarHBondContact CD2-O 2.92Å; Y579-V635 HydrophobicContact CD2-CG2 4.13Å; Y579-S1040 PolarHBondContact N-O 2.77Å; Y579-I1041 HydrophobicContact CD1-CG1 4.49Å; Y579-I1041 WeakPolarHBondContact O-CA 2.85Å; Y579-L1042 PolarHBondContact O-N 3.14Å
580	H	97.6	Very high	95.1	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.065	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	94.6	179.5	-58.2	-99.3	0	0	0	109.7	I578 G633 Y634 S636 L1042 D1044	I578-H580 PolarHBondContact O-CD2 3.37Å; H580-G633 CarbonylContact O-C 3.6Å; H580-G633 WeakPolarHBondContact O-CA 3.36Å; H580-Y634 HydrophobicContact CB-CD1 3.77Å; H580-Y634 HydrophobicContact CB-CD2 4.17Å; H580-Y634 HydrophobicContact CB-CE1 3.4Å; H580-Y634 HydrophobicContact CB-CE2 3.84Å; H580-Y634 HydrophobicContact CB-CG 4.14Å; H580-Y634 VanDerWaalsContact CB-CZ 3.45Å; H580-Y634 AromaticContact CD2-CD2 3.85Å; H580-Y634 AromaticContact CD2-CE2 3.44Å; H580-Y634 VanDerWaalsContact CD2-CE2 3.44Å; H580-Y634 WeakPolarHBondContact CD2-CE2 3.36Å; H580-Y634 AromaticContact CD2-CZ 3.87Å; H580-Y634 AromaticContact CG-CE2 3.61Å; H580-Y634 AromaticContact CG-CZ 3.51Å; H580-Y634 PolarHBondContact N-O 3.16Å; H580-Y634 PolarHBondContact O-N 2.67Å; H580-S636 WeakPolarHBondContact NE2-CB 3.44Å; H580-S636 PolarHBondContact NE2-OG 3.17Å; H580-L1042 VanDerWaalsContact CA-O 3.3Å; H580-L1042 WeakPolarHBondContact CA-O 3.32Å; H580-L1042 PolarHBondContact ND1-O 3.37Å; H580-D1044 HydrophobicContact CB-CB 4.24Å
581	P	96.5	Very high	95.1	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.9	176.7	27.5	-32.6	0	0	0	111.2	Y579 I583 I1041 D1044	Y579-P581 HydrophobicContact CD1-CB 4.48Å; Y579-P581 HydrophobicContact CE1-CB 3.71Å; Y579-P581 HydrophobicContact CE1-CG 4.18Å; Y579-P581 WeakPolarHBondContact O-CD 3.3Å; P581-I583 HydrophobicContact CG-CD1 4.37Å; P581-I583 PolarHBondContact O-N 2.69Å; P581-I1041 HydrophobicContact CG-CG2 3.79Å; P581-D1044 PolarHBondContact O-N 3.21Å
582	Y	95.7	Very high	95.1	Very high	10 Å²	10	43 Å²	43	4%	0.039	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-80.6	102.3	168.3	-67.8	-57.2	0	0	0	109.7	N584 Y585 N586 G587 E632 Y634 D1044 G1046 P1048	Y582-N584 VanDerWaalsContact C-N 3.34Å; Y582-N584 PolarHBondContact O-N 2.86Å; Y582-Y585 CarbonylContact O-C 3.35Å; Y582-Y585 VanDerWaalsContact O-C 3.3Å; Y582-Y585 WeakPolarHBondContact O-CA 3.2Å; Y582-Y585 PolarHBondContact O-N 3.13Å; Y582-N586 PolarHBondContact O-N 3.33Å; Y582-G587 PolarHBondContact O-N 2.85Å; Y582-E632 WeakPolarHBondContact CB-O 3.37Å; Y582-E632 HydrophobicContact CD2-CB 4.13Å; Y582-E632 PolarHBondContact N-O 3.47Å; Y582-E632 VanDerWaalsContact N-O 3.09Å; Y582-Y634 HydrophobicContact CE1-CD1 4.23Å; Y582-Y634 AromaticContact CE1-CE1 3.94Å; Y582-Y634 HydrophobicContact CE1-CE1 3.94Å; Y582-Y634 AromaticContact CE2-CD1 3.91Å; Y582-Y634 HydrophobicContact CE2-CD1 3.91Å; Y582-Y634 HydrophobicContact CE2-CE1 4.45Å; Y582-Y634 AromaticContact CZ-CD1 3.56Å; Y582-Y634 AromaticContact CZ-CE1 3.68Å; Y582-Y634 VanDerWaalsContact OH-CD1 3.29Å; Y582-Y634 WeakPolarHBondContact OH-CD1 3.27Å; Y582-Y634 WeakPolarHBondContact OH-CE1 3.29Å; Y582-D1044 HydrophobicContact CD1-CB 4.28Å; Y582-D1044 HydrophobicContact CE1-CB 4.28Å; Y582-G1046 WeakPolarHBondContact CD1-O 3.33Å; Y582-P1048 HydrophobicContact CD2-CB 4.02Å; Y582-P1048 HydrophobicContact CD2-CG 4.44Å; Y582-P1048 HydrophobicContact CE2-CB 3.89Å
583	I	90.7	Very high	95	Very high	55 Å²	55	37.9 Å²	37.9	28%	0.282	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-59.6	-42.9	-171.7	-59.2	-59.5	0	0	0	112.5	P581 Y585 N586 H588 I1043	P581-I583 HydrophobicContact CG-CD1 4.37Å; P581-I583 PolarHBondContact O-N 2.69Å; I583-Y585 PolarHBondContact O-N 3.28Å; I583-Y585 VanDerWaalsContact O-N 3.15Å; I583-N586 PolarHBondContact O-N 3.05Å; I583-H588 HydrophobicContact CD1-CB 4Å; I583-I1043 HydrophobicContact CD1-CG1 4.41Å; I583-I1043 HydrophobicContact CD1-CG2 3.92Å; I583-I1043 HydrophobicContact CG1-CG2 3.44Å; I583-I1043 VanDerWaalsContact CG1-CG2 3.44Å
584	N	91.2	Very high	94.9	Very high	115 Å²	115	38.1 Å²	38.1	62%	0.615	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-70.1	-7	179	-64.2	-40	0	0	0	113.7	Y582	Y582-N584 VanDerWaalsContact C-N 3.34Å; Y582-N584 PolarHBondContact O-N 2.86Å
585	Y	94.3	Very high	94.8	Very high	72 Å²	72	36.8 Å²	36.8	28%	0.282	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-125.5	33.8	179.4	-61.7	-98.1	0	0	0	110.6	Y582 I583 G587 A631 E632 K1047 P1048	Y582-Y585 CarbonylContact O-C 3.35Å; Y582-Y585 VanDerWaalsContact O-C 3.3Å; Y582-Y585 WeakPolarHBondContact O-CA 3.2Å; Y582-Y585 PolarHBondContact O-N 3.13Å; I583-Y585 PolarHBondContact O-N 3.28Å; I583-Y585 VanDerWaalsContact O-N 3.15Å; Y585-G587 PolarHBondContact O-N 3.11Å; Y585-A631 WeakPolarHBondContact O-CA 3.48Å; Y585-E632 PolarHBondContact O-N 3.47Å; Y585-K1047 HydrophobicContact CE2-CB 4.01Å; Y585-K1047 HydrophobicContact CE2-CG 3.9Å; Y585-K1047 WeakPolarHBondContact OH-CD 3.37Å; Y585-P1048 HydrophobicContact CD1-CG 3.79Å; Y585-P1048 HydrophobicContact CD2-CG 4.12Å; Y585-P1048 HydrophobicContact CE1-CG 3.91Å; Y585-P1048 HydrophobicContact CE2-CG 4.24Å; Y585-P1048 HydrophobicContact CG-CG 3.9Å
586	N	94.2	Very high	94.8	Very high	47 Å²	47	32.4 Å²	32.4	25%	0.251	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	16.2	174.2	-48.7	-64	0	0	0	115.6	Y582 I583 H588 R589 F627 V630 A631	Y582-N586 PolarHBondContact O-N 3.33Å; I583-N586 PolarHBondContact O-N 3.05Å; N586-H588 PolarHBondContact O-N 3.12Å; N586-H588 VanDerWaalsContact O-N 3.11Å; N586-R589 HydrophobicContact CB-CG 4.25Å; N586-R589 VanDerWaalsContact O-CB 3.27Å; N586-R589 WeakPolarHBondContact O-CB 3.37Å; N586-R589 WeakPolarHBondContact O-CG 3.28Å; N586-R589 PolarHBondContact O-N 2.98Å; N586-F627 HydrophobicContact CB-CE1 4.46Å; N586-F627 HydrophobicContact CB-CZ 4Å; N586-F627 WeakPolarHBondContact ND2-CZ 3.41Å; N586-V630 PolarHBondContact ND2-O 3.39Å; N586-A631 HydrophobicContact CB-CB 4.14Å; N586-A631 WeakPolarHBondContact O-CB 3.23Å
587	G	94.2	Very high	94.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-57.6	-29.7	-178	0	0	0	0	0	114	Y579 Y582 Y585 R589 L590 E632	Y579-G587 PolarHBondContact OH-O 2.89Å; Y582-G587 PolarHBondContact O-N 2.85Å; Y585-G587 PolarHBondContact O-N 3.11Å; G587-R589 PolarHBondContact O-N 2.86Å; G587-R589 VanDerWaalsContact O-N 3.09Å; G587-L590 PolarHBondContact O-N 3.19Å; G587-E632 WeakPolarHBondContact CA-O 3.5Å
588	H	93.2	Very high	94.6	Very high	59 Å²	59	33 Å²	33	27%	0.273	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-61.5	-16.4	175	61.6	-84.7	0	0	0	113.5	I583 N586 L590 T614 D620	I583-H588 HydrophobicContact CD1-CB 4Å; N586-H588 PolarHBondContact O-N 3.12Å; N586-H588 VanDerWaalsContact O-N 3.11Å; H588-L590 VanDerWaalsContact C-N 3.35Å; H588-T614 WeakPolarHBondContact O-CG2 3.39Å; H588-D620 IonicContact CD2-OD1 2.67Å; H588-D620 IonicContact NE2-OD1 3.89Å; H588-D620 PolarHBondContact NE2-OD1 3.23Å
589	R	94.4	Very high	94.6	Very high	13 Å²	13	35.7 Å²	35.7	5%	0.049	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-81.2	-14.3	176.5	-56.7	-169.7	178.1	-73.4	-5.4	113.4	N586 G587 V613 T614 D620 I622 S624 I662	N586-R589 HydrophobicContact CB-CG 4.25Å; N586-R589 VanDerWaalsContact O-CB 3.27Å; N586-R589 WeakPolarHBondContact O-CB 3.37Å; N586-R589 WeakPolarHBondContact O-CG 3.28Å; N586-R589 PolarHBondContact O-N 2.98Å; G587-R589 PolarHBondContact O-N 2.86Å; G587-R589 VanDerWaalsContact O-N 3.09Å; R589-V613 WeakPolarHBondContact O-CA 3.49Å; R589-T614 WeakPolarHBondContact CA-OG1 3.49Å; R589-T614 PolarHBondContact O-N 3.11Å; R589-T614 PolarHBondContact O-OG1 2.94Å; R589-D620 IonicContact CZ-OD2 2.72Å; R589-D620 IonicContact NH1-OD2 3.21Å; R589-D620 PolarHBondContact NH1-OD2 2.93Å; R589-D620 IonicContact NH2-OD1 2.67Å; R589-D620 IonicContact NH2-OD2 2.76Å; R589-I622 PolarHBondContact NH1-O 3.2Å; R589-I622 VanDerWaalsContact NH1-O 3.1Å; R589-I622 PolarHBondContact NH2-O 2.84Å; R589-S624 PolarHBondContact NH1-OG 2.75Å; R589-S624 VanDerWaalsContact NH1-OG 3.13Å; R589-I662 HydrophobicContact CB-CD1 3.8Å
590	L	95	Very high	94.5	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.5	175.4	-65.1	174.3	0	0	0	109.8	L550 G587 H588 V592 A631 I658 A660 I662	L550-L590 HydrophobicContact CD1-CD2 4.03Å; G587-L590 PolarHBondContact O-N 3.19Å; H588-L590 VanDerWaalsContact C-N 3.35Å; L590-V592 HydrophobicContact CB-CG2 4.18Å; L590-A631 HydrophobicContact CD1-CB 3.83Å; L590-A631 HydrophobicContact CD2-CB 4.03Å; L590-A631 HydrophobicContact CG-CB 3.62Å; L590-I658 HydrophobicContact CD1-CG2 4.23Å; L590-A660 HydrophobicContact CD2-CB 4.08Å; L590-I662 HydrophobicContact CD2-CD1 4.03Å; L590-I662 HydrophobicContact CD2-CG1 4.49Å
591	H	94.2	Very high	94.4	Very high	49 Å²	49	37.6 Å²	37.6	23%	0.227	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.9	165.9	178.5	-97.4	0	0	0	108.5	S612 T614 K1038	H591-S612 WeakPolarHBondContact CB-OG 3.34Å; H591-S612 PolarHBondContact N-O 2.95Å; H591-S612 PolarHBondContact ND1-OG 3.29Å; H591-S612 PolarHBondContact O-N 3.49Å; H591-S612 PolarHBondContact O-OG 3.06Å; H591-T614 HydrophobicContact CB-CG2 3.94Å; H591-K1038 WeakPolarHBondContact NE2-CE 3.49Å
592	V	95.7	Very high	94.3	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.036	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.2	-177.6	-175.4	0	0	0	0	109.6	Y579 L590 I594 V609 Y610 L611 V635 I658 A1039	Y579-V592 HydrophobicContact CD1-CB 4Å; Y579-V592 HydrophobicContact CD1-CG2 3.82Å; Y579-V592 HydrophobicContact CD2-CB 4.08Å; Y579-V592 HydrophobicContact CD2-CG1 4.3Å; Y579-V592 HydrophobicContact CD2-CG2 3.7Å; Y579-V592 HydrophobicContact CE1-CB 4.42Å; Y579-V592 HydrophobicContact CE1-CG2 3.75Å; Y579-V592 HydrophobicContact CE2-CG2 3.65Å; Y579-V592 HydrophobicContact CG-CB 3.82Å; Y579-V592 HydrophobicContact CG-CG1 4.32Å; Y579-V592 HydrophobicContact CG-CG2 3.8Å; L590-V592 HydrophobicContact CB-CG2 4.18Å; V592-I594 HydrophobicContact CG1-CD1 4.42Å; V592-I594 HydrophobicContact CG1-CG1 4.12Å; V592-V609 HydrophobicContact CG1-CG1 3.88Å; V592-Y610 WeakPolarHBondContact CA-O 3.3Å; V592-L611 HydrophobicContact CB-CD2 4.46Å; V592-L611 HydrophobicContact CG1-CD2 4.26Å; V592-L611 HydrophobicContact CG2-CD2 3.79Å; V592-V635 HydrophobicContact CG1-CG2 4Å; V592-I658 HydrophobicContact CG1-CD1 4.45Å; V592-A1039 VanDerWaalsContact O-CB 3.23Å; V592-A1039 WeakPolarHBondContact O-CB 3.34Å; V592-A1039 PolarHBondContact O-N 3.13Å
593	G	94.2	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	152.7	167.2	0	0	0	0	0	111.1	Y610 P1037	G593-Y610 PolarHBondContact N-O 3.28Å; G593-Y610 PolarHBondContact O-N 3.07Å; G593-P1037 CarbonylContact C-O 3.46Å; G593-P1037 WeakPolarHBondContact CA-O 3.49Å
594	I	94.3	Very high	94.6	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	126.9	-175.2	-57	171.8	0	0	0	110.9	P577 V592 Y596 L607 A608 V635 P1037 A1039	P577-I594 HydrophobicContact CB-CD1 3.8Å; P577-I594 HydrophobicContact CB-CG2 4.1Å; P577-I594 HydrophobicContact CG-CG2 4.04Å; V592-I594 HydrophobicContact CG1-CD1 4.42Å; V592-I594 HydrophobicContact CG1-CG1 4.12Å; I594-Y596 HydrophobicContact CG2-CD1 4.18Å; I594-L607 HydrophobicContact CG2-CD1 3.39Å; I594-A608 WeakPolarHBondContact CA-O 3.47Å; I594-V635 HydrophobicContact CD1-CB 4.38Å; I594-V635 HydrophobicContact CD1-CG1 3.62Å; I594-V635 HydrophobicContact CD1-CG2 3.78Å; I594-P1037 PolarHBondContact N-O 2.99Å; I594-A1039 HydrophobicContact CD1-CB 3.58Å; I594-A1039 HydrophobicContact CG1-CB 3.93Å
595	S	92.6	Very high	94.8	Very high	17 Å²	17	30.4 Å²	30.4	12%	0.119	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.9	162.5	-174.8	0	0	0	0	109.3	A608	S595-A608 PolarHBondContact N-O 3.36Å; S595-A608 PolarHBondContact O-N 3.33Å
596	Y	94.3	Very high	94.9	Very high	63 Å²	63	29.4 Å²	29.4	25%	0.247	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	153.6	-175.1	64	-85.1	0	0	0	113	I573 P576 P577 I594 Q598 Y606	I573-Y596 HydrophobicContact CB-CD2 4.22Å; I573-Y596 HydrophobicContact CB-CE2 4.14Å; I573-Y596 HydrophobicContact CD1-CD2 3.55Å; I573-Y596 HydrophobicContact CD1-CE2 4.32Å; I573-Y596 HydrophobicContact CD1-CG 4.16Å; I573-Y596 HydrophobicContact CG1-CD2 4.46Å; I573-Y596 HydrophobicContact CG2-CD2 4.17Å; I573-Y596 HydrophobicContact CG2-CE2 3.9Å; P576-Y596 WeakPolarHBondContact CA-OH 3.42Å; P577-Y596 VanDerWaalsContact CD-CD1 3.46Å; P577-Y596 HydrophobicContact CG-CD1 3.83Å; P577-Y596 HydrophobicContact CG-CE1 4.12Å; P577-Y596 HydrophobicContact CG-CG 4.13Å; I594-Y596 HydrophobicContact CG2-CD1 4.18Å; Y596-Q598 PolarHBondContact O-N 2.77Å; Y596-Y606 VanDerWaalsContact C-CZ 3.49Å; Y596-Y606 WeakPolarHBondContact CA-O 2.96Å
597	S	94.3	Very high	94.9	Very high	17 Å²	17	27.1 Å²	27.1	12%	0.119	12%	0.122	C	C	.	.			trans	-75.7	115.2	170.6	57.8	0	0	0	0	110.7	Y599 G605 Y606	S597-Y599 PolarHBondContact O-N 2.92Å; S597-G605 VanDerWaalsContact OG-CA 3.28Å; S597-G605 WeakPolarHBondContact OG-CA 3.42Å; S597-Y606 PolarHBondContact N-O 3.41Å; S597-Y606 PolarHBondContact OG-N 2.94Å; S597-Y606 PolarHBondContact OG-O 2.92Å
598	Q	95.1	Very high	94.9	Very high	81 Å²	81	27.1 Å²	27.1	38%	0.379	12%	0.122	S	C	.	.	S	Bend	trans	-58.5	-37.2	177.2	179.8	176.5	-12	0	0	112.7	R572 I573 Y596	R572-Q598 WeakPolarHBondContact CA-O 3.46Å; R572-Q598 WeakPolarHBondContact CG-O 3.19Å; I573-Q598 PolarHBondContact N-O 3.09Å; Y596-Q598 PolarHBondContact O-N 2.77Å
599	Y	97.2	Very high	95	Very high	110 Å²	110	24.3 Å²	24.3	43%	0.431	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139	178.1	-61.8	-82.1	0	0	0	110	G571 R572 S597	G571-Y599 CarbonylContact O-C 3.54Å; G571-Y599 WeakPolarHBondContact O-CA 3.47Å; R572-Y599 HydrophobicContact CB-CD1 4.26Å; R572-Y599 HydrophobicContact CG-CD1 4.18Å; R572-Y599 HydrophobicContact CG-CE1 4.12Å; S597-Y599 PolarHBondContact O-N 2.92Å
600	L	96.6	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.5	175.3	-45.4	-178.2	0	0	0	107.7	I563 N565 V570 G571 V604 V639	I563-L600 HydrophobicContact CB-CD2 4.3Å; I563-L600 HydrophobicContact CD1-CD2 4.17Å; I563-L600 HydrophobicContact CG2-CD1 3.8Å; I563-L600 HydrophobicContact CG2-CD2 4.32Å; N565-L600 HydrophobicContact CB-CD1 3.85Å; V570-L600 WeakPolarHBondContact CA-O 3.3Å; G571-L600 PolarHBondContact N-O 3.39Å; G571-L600 PolarHBondContact O-N 3.25Å; L600-V604 CarbonylContact C-O 3.59Å; L600-V604 VanDerWaalsContact CA-O 3.25Å; L600-V604 WeakPolarHBondContact CA-O 3.45Å; L600-V639 HydrophobicContact CD1-CG1 3.53Å; L600-V639 HydrophobicContact CD1-CG2 4.32Å
601	W	95.1	Very high	95	Very high	56 Å²	56	23.8 Å²	23.8	21%	0.212	11%	0.106	C	C	.	.			trans	-162.4	133.2	178.5	-176.1	80.2	0	0	0	113.7	A333 V604 Q1216	A333-W601 HydrophobicContact CB-CZ2 4.47Å; W601-V604 PolarHBondContact N-O 3.09Å; W601-Q1216 HydrophobicContact CH2-CG 4.05Å; W601-Q1216 HydrophobicContact CZ2-CG 4.33Å
602	P	94.6	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.101	C	C	.	.	S	Bend	cis	-75.7	128.7	-13.3	29.8	-27.8	0	0	0	109.6	L329 A333 V569 V604	L329-P602 HydrophobicContact CB-CG 4.49Å; L329-P602 HydrophobicContact CD2-CG 4.32Å; A333-P602 HydrophobicContact CB-CB 3.85Å; A333-P602 HydrophobicContact CB-CG 4.39Å; V569-P602 HydrophobicContact CG2-CB 3.94Å; P602-V604 PolarHBondContact O-N 2.79Å
603	W	95.3	Very high	95	Very high	19 Å²	19	22.5 Å²	22.5	7%	0.072	10%	0.102	C	C	.	.	S	Bend	trans	59.6	-20.8	176	-40.4	97.7	0	0	0	118.7	S332 N466 I468 N565 D568 V569	S332-W603 PolarHBondContact O-NE1 3.35Å; S332-W603 VanDerWaalsContact OG-CD1 3.32Å; N466-W603 HydrophobicContact CB-CH2 3.83Å; N466-W603 HydrophobicContact CB-CZ2 4.19Å; N466-W603 HydrophobicContact CB-CZ3 4.01Å; I468-W603 HydrophobicContact CB-CB 4.14Å; I468-W603 HydrophobicContact CD1-CB 4.23Å; I468-W603 HydrophobicContact CG1-CB 3.18Å; I468-W603 HydrophobicContact CG1-CG 3.79Å; N565-W603 WeakPolarHBondContact CA-O 3.4Å; N565-W603 WeakPolarHBondContact CB-O 3.22Å; N565-W603 PolarHBondContact N-O 2.65Å; D568-W603 VanDerWaalsContact O-CE3 3.25Å; V569-W603 VanDerWaalsContact CA-CE3 3.46Å; V569-W603 HydrophobicContact CB-CD2 4.07Å; V569-W603 HydrophobicContact CB-CE3 4.27Å; V569-W603 HydrophobicContact CB-CH2 3.79Å; V569-W603 HydrophobicContact CB-CZ2 3.59Å; V569-W603 HydrophobicContact CB-CZ3 4.15Å; V569-W603 HydrophobicContact CG2-CD2 4.2Å; V569-W603 HydrophobicContact CG2-CG 4.49Å; V569-W603 HydrophobicContact CG2-CZ2 3.92Å; V569-W603 PolarHBondContact O-N 2.75Å
604	V	96.9	Very high	95	Very high	8 Å²	8	23.8 Å²	23.8	5%	0.048	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.4	-172.5	-57.8	0	0	0	0	111.7	M359 D360 I468 I563 L564 L600 W601 P602	M359-V604 HydrophobicContact CB-CB 4.33Å; M359-V604 HydrophobicContact CB-CG2 3.66Å; D360-V604 WeakPolarHBondContact OD2-CG2 3.38Å; I468-V604 HydrophobicContact CD1-CG1 3.56Å; I468-V604 HydrophobicContact CG1-CG1 3.99Å; I563-V604 VanDerWaalsContact O-CA 3.25Å; I563-V604 WeakPolarHBondContact O-CA 3.42Å; L564-V604 HydrophobicContact CD2-CG1 3.9Å; L600-V604 CarbonylContact C-O 3.59Å; L600-V604 VanDerWaalsContact CA-O 3.25Å; L600-V604 WeakPolarHBondContact CA-O 3.45Å; W601-V604 PolarHBondContact N-O 3.09Å; P602-V604 PolarHBondContact O-N 2.79Å
605	G	95.8	Very high	94.8	Very high	6 Å²	6	28 Å²	28	6%	0.062	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	-172.4	168.7	0	0	0	0	0	110.8	I563 S597	I563-G605 PolarHBondContact N-O 2.58Å; I563-G605 PolarHBondContact O-N 2.58Å; I563-G605 VanDerWaalsContact O-N 3.08Å; S597-G605 VanDerWaalsContact OG-CA 3.28Å; S597-G605 WeakPolarHBondContact OG-CA 3.42Å
606	Y	94.8	Very high	94.7	Very high	51 Å²	51	31.2 Å²	31.2	20%	0.2	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	153.8	-175.9	74.4	-101	0	0	0	112	I561 Y596 S597 I1228	I561-Y606 CarbonylContact O-C 3.59Å; I561-Y606 WeakPolarHBondContact O-CA 3.07Å; Y596-Y606 VanDerWaalsContact C-CZ 3.49Å; Y596-Y606 WeakPolarHBondContact CA-O 2.96Å; S597-Y606 PolarHBondContact N-O 3.41Å; S597-Y606 PolarHBondContact OG-N 2.94Å; S597-Y606 PolarHBondContact OG-O 2.92Å; Y606-I1228 HydrophobicContact CD1-CD1 3.92Å; Y606-I1228 HydrophobicContact CD2-CD1 3.13Å; Y606-I1228 HydrophobicContact CD2-CG1 4.04Å; Y606-I1228 HydrophobicContact CE1-CD1 3.76Å; Y606-I1228 HydrophobicContact CE1-CG1 4.34Å; Y606-I1228 HydrophobicContact CE2-CD1 2.95Å; Y606-I1228 HydrophobicContact CE2-CG1 3.35Å; Y606-I1228 HydrophobicContact CG-CD1 3.63Å
607	L	95.5	Very high	94.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	114.5	165.6	175.9	71.9	0	0	0	107.1	I561 I563 P577 I594 V609 L637 L656	I561-L607 WeakPolarHBondContact CA-O 3.3Å; I561-L607 HydrophobicContact CB-CB 4.26Å; I561-L607 WeakPolarHBondContact CB-O 3.18Å; I561-L607 WeakPolarHBondContact CD1-O 3.17Å; I561-L607 PolarHBondContact N-O 3.3Å; I561-L607 PolarHBondContact O-N 2.91Å; I563-L607 HydrophobicContact CD1-CB 4.13Å; I563-L607 HydrophobicContact CG1-CB 4.16Å; P577-L607 HydrophobicContact CG-CD1 4.14Å; I594-L607 HydrophobicContact CG2-CD1 3.39Å; L607-V609 HydrophobicContact CD2-CG2 4.4Å; L607-V609 HydrophobicContact CG-CG2 4.23Å; L607-L637 HydrophobicContact CD2-CD2 3.91Å; L607-L656 HydrophobicContact CD2-CD2 3.97Å
608	A	94.2	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123	176.3	0	0	0	0	0	109.6	I558 I559 N560 I594 S595 Y610 I1228	I558-A608 HydrophobicContact CG2-CB 4.42Å; I559-A608 WeakPolarHBondContact O-CA 3.31Å; N560-A608 WeakPolarHBondContact OD1-CB 3.35Å; I594-A608 WeakPolarHBondContact CA-O 3.47Å; S595-A608 PolarHBondContact N-O 3.36Å; S595-A608 PolarHBondContact O-N 3.33Å; A608-Y610 HydrophobicContact CB-CE2 4.24Å; A608-I1228 HydrophobicContact CB-CB 4.46Å; A608-I1228 HydrophobicContact CB-CD1 4.27Å; A608-I1228 HydrophobicContact CB-CG2 3.19Å
609	V	95.6	Very high	93.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.6	-178	179.8	0	0	0	0	108.9	L534 I558 I559 I561 V592 L607 L611 L656 I658	L534-V609 HydrophobicContact CD1-CB 4.3Å; L534-V609 HydrophobicContact CD1-CG1 4.27Å; L534-V609 HydrophobicContact CD1-CG2 4.48Å; I558-V609 WeakPolarHBondContact CA-O 3.49Å; I559-V609 PolarHBondContact N-O 3.37Å; I559-V609 PolarHBondContact O-N 3.46Å; I561-V609 HydrophobicContact CD1-CB 4.15Å; I561-V609 HydrophobicContact CD1-CG2 3.58Å; V592-V609 HydrophobicContact CG1-CG1 3.88Å; L607-V609 HydrophobicContact CD2-CG2 4.4Å; L607-V609 HydrophobicContact CG-CG2 4.23Å; V609-L611 HydrophobicContact CG1-CD2 3.66Å; V609-L611 HydrophobicContact CG1-CG 3.94Å; V609-L656 HydrophobicContact CG2-CD2 3.9Å; V609-I658 HydrophobicContact CG1-CD1 4.18Å
610	Y	94.4	Very high	92.8	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.7	177	-56.8	-108.3	0	0	0	107.8	I557 I558 V592 G593 A608 A1036 I1228	I557-Y610 CarbonylContact O-C 3.51Å; I557-Y610 WeakPolarHBondContact O-CA 3.25Å; I558-Y610 HydrophobicContact CD1-CD1 3.91Å; I558-Y610 HydrophobicContact CD1-CE1 3.59Å; I558-Y610 HydrophobicContact CG1-CD1 3.51Å; I558-Y610 HydrophobicContact CG1-CE1 3.67Å; I558-Y610 HydrophobicContact CG1-CG 4.31Å; I558-Y610 HydrophobicContact CG2-CE1 4.44Å; V592-Y610 WeakPolarHBondContact CA-O 3.3Å; G593-Y610 PolarHBondContact N-O 3.28Å; G593-Y610 PolarHBondContact O-N 3.07Å; A608-Y610 HydrophobicContact CB-CE2 4.24Å; Y610-A1036 HydrophobicContact CD1-CB 3.53Å; Y610-A1036 HydrophobicContact CD2-CB 3.81Å; Y610-A1036 HydrophobicContact CE1-CB 4.26Å; Y610-A1036 HydrophobicContact CE2-CB 4.47Å; Y610-A1036 HydrophobicContact CG-CB 3.29Å; Y610-I1228 WeakPolarHBondContact OH-CA 3.41Å; Y610-I1228 VanDerWaalsContact OH-CG2 3.22Å; Y610-I1228 WeakPolarHBondContact OH-CG2 3.41Å; Y610-I1228 PolarHBondContact OH-OXT 3.04Å
611	L	95	Very high	92.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.4	-179.4	-62.9	-178.7	0	0	0	110.9	L536 L550 P556 I557 I559 V592 V609 I658	L536-L611 HydrophobicContact CD1-CD1 3.98Å; L550-L611 HydrophobicContact CD1-CB 4.4Å; P556-L611 VanDerWaalsContact CA-O 3.29Å; P556-L611 WeakPolarHBondContact CA-O 3.28Å; I557-L611 HydrophobicContact CD1-CB 4.31Å; I557-L611 HydrophobicContact CG1-CB 3.79Å; I557-L611 PolarHBondContact N-O 3.42Å; I557-L611 PolarHBondContact O-N 3.47Å; I559-L611 HydrophobicContact CD1-CD1 3.63Å; I559-L611 HydrophobicContact CD1-CG 4.38Å; V592-L611 HydrophobicContact CB-CD2 4.46Å; V592-L611 HydrophobicContact CG1-CD2 4.26Å; V592-L611 HydrophobicContact CG2-CD2 3.79Å; V609-L611 HydrophobicContact CG1-CD2 3.66Å; V609-L611 HydrophobicContact CG1-CG 3.94Å; L611-I658 HydrophobicContact CD1-CG2 4.01Å; L611-I658 HydrophobicContact CD2-CD1 4.27Å; L611-I658 HydrophobicContact CD2-CG2 4.18Å
612	S	94.3	Very high	92.3	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	172.5	174.9	49.1	0	0	0	0	109.1	H591	H591-S612 WeakPolarHBondContact CB-OG 3.34Å; H591-S612 PolarHBondContact N-O 2.95Å; H591-S612 PolarHBondContact ND1-OG 3.29Å; H591-S612 PolarHBondContact O-N 3.49Å; H591-S612 PolarHBondContact O-OG 3.06Å
613	V	95.7	Very high	92.2	Very high	12 Å²	12	47.2 Å²	47.2	7%	0.073	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.4	177.7	178.8	0	0	0	0	109.3	L550 R589 I662	L550-V613 HydrophobicContact CB-CG2 3.67Å; R589-V613 WeakPolarHBondContact O-CA 3.49Å; V613-I662 HydrophobicContact CG1-CD1 4.35Å; V613-I662 HydrophobicContact CG1-CG2 4.23Å; V613-I662 HydrophobicContact CG2-CD1 4.1Å; V613-I662 HydrophobicContact CG2-CG1 4.1Å; V613-I662 HydrophobicContact CG2-CG2 4.07Å
614	T	92.6	Very high	92.1	Very high	27 Å²	27	46.4 Å²	46.4	17%	0.166	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-61.2	149.8	177.5	54.5	0	0	0	0	111.7	S552 H588 R589 H591 S624	S552-T614 PolarHBondContact OG-O 3.28Å; H588-T614 WeakPolarHBondContact O-CG2 3.39Å; R589-T614 WeakPolarHBondContact CA-OG1 3.49Å; R589-T614 PolarHBondContact O-N 3.11Å; R589-T614 PolarHBondContact O-OG1 2.94Å; H591-T614 HydrophobicContact CB-CG2 3.94Å; T614-S624 VanDerWaalsContact O-CB 3.24Å; T614-S624 WeakPolarHBondContact O-CB 3.47Å; T614-S624 PolarHBondContact OG1-OG 3.13Å
615	P	90.1	Very high	92	Very high	99 Å²	99	47 Å²	47	64%	0.643	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-65	164.8	168.9	30.3	-35.2	0	0	0	110.5	S617	P615-S617 PolarHBondContact O-N 3.39Å
616	D	91.7	Very high	92	Very high	83 Å²	83	54.4 Å²	54.4	44%	0.444	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-60.6	127.3	-179.9	-67	-14.2	0	0	0	111.4	P623 S624 S625	D616-P623 HydrophobicContact CB-CB 3.86Å; D616-P623 WeakPolarHBondContact OD1-CB 3.1Å; D616-S624 PolarHBondContact OD1-N 2.91Å; D616-S624 VanDerWaalsContact OD1-N 3.11Å; D616-S625 VanDerWaalsContact CG-OG 3.25Å; D616-S625 VanDerWaalsContact OD1-CB 3.28Å; D616-S625 WeakPolarHBondContact OD1-CB 3.35Å; D616-S625 PolarHBondContact OD1-N 2.78Å; D616-S625 PolarHBondContact OD1-OG 2.85Å; D616-S625 VanDerWaalsContact OD1-OG 3.13Å; D616-S625 VanDerWaalsContact OD2-CB 3.27Å; D616-S625 WeakPolarHBondContact OD2-CB 3.16Å; D616-S625 PolarHBondContact OD2-OG 2.81Å
617	S	89.3	Confident	92.1	Very high	53 Å²	53	52.9 Å²	52.9	37%	0.371	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-103.7	149	174.9	-175.7	0	0	0	0	110.8	P615 D619 D620	P615-S617 PolarHBondContact O-N 3.39Å; S617-D619 PolarHBondContact O-N 3.18Å; S617-D619 PolarHBondContact OG-N 3.08Å; S617-D620 PolarHBondContact O-N 3.08Å
618	I	83.8	Confident	92.2	Very high	171 Å²	171	56.7 Å²	56.7	88%	0.877	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.8	175.4	-62.8	166.9	0	0	0	111	D620	I618-D620 VanDerWaalsContact C-N 3.3Å; I618-D620 PolarHBondContact O-N 3.27Å
619	D	82.5	Confident	92.3	Very high	146 Å²	146	57.6 Å²	57.6	78%	0.781	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.2	-177.1	-59.1	-40.9	0	0	0	113.2	S617	S617-D619 PolarHBondContact O-N 3.18Å; S617-D619 PolarHBondContact OG-N 3.08Å
620	D	84.9	Confident	92.4	Very high	28 Å²	28	60 Å²	60	15%	0.15	33%	0.331	C	S	.	.			trans	-83.4	123.2	-178.4	-72.9	-14.6	0	0	0	111.2	H588 R589 S617 I618 I622	H588-D620 IonicContact CD2-OD1 2.67Å; H588-D620 IonicContact NE2-OD1 3.89Å; H588-D620 PolarHBondContact NE2-OD1 3.23Å; R589-D620 IonicContact CZ-OD2 2.72Å; R589-D620 IonicContact NH1-OD2 3.21Å; R589-D620 PolarHBondContact NH1-OD2 2.93Å; R589-D620 IonicContact NH2-OD1 2.67Å; R589-D620 IonicContact NH2-OD2 2.76Å; S617-D620 PolarHBondContact O-N 3.08Å; I618-D620 VanDerWaalsContact C-N 3.3Å; I618-D620 PolarHBondContact O-N 3.27Å; D620-I622 WeakPolarHBondContact CB-O 3.47Å; D620-I622 PolarHBondContact O-N 3.24Å
621	I	88.6	Confident	92.4	Very high	170 Å²	170	59.7 Å²	59.7	87%	0.872	33%	0.33	S	S	*	.	S	Bend	trans	-55.1	-41.1	174.2	-59.3	172.6	0	0	0	111.2
622	I	91.9	Very high	92.5	Very high	76 Å²	76	60.3 Å²	60.3	39%	0.39	33%	0.333	S	S	.	.	S	Bend	trans	-118.6	120.1	172.9	-60	171.8	0	0	0	106.8	R589 D620 R626 F627	R589-I622 PolarHBondContact NH1-O 3.2Å; R589-I622 VanDerWaalsContact NH1-O 3.1Å; R589-I622 PolarHBondContact NH2-O 2.84Å; D620-I622 WeakPolarHBondContact CB-O 3.47Å; D620-I622 PolarHBondContact O-N 3.24Å; I622-R626 HydrophobicContact CG2-CB 4.26Å; I622-F627 HydrophobicContact CG2-CB 4.35Å
623	P	94.2	Very high	92.7	Very high	20 Å²	20	59.6 Å²	59.6	13%	0.13	33%	0.327	C	S	.	.			trans	-62.1	146.7	177.4	24.1	-32	0	0	0	111	D616 S625 R626 F627	D616-P623 HydrophobicContact CB-CB 3.86Å; D616-P623 WeakPolarHBondContact OD1-CB 3.1Å; P623-S625 PolarHBondContact O-N 3.03Å; P623-S625 VanDerWaalsContact O-N 3.09Å; P623-R626 HydrophobicContact CG-CB 4.28Å; P623-R626 HydrophobicContact CG-CG 4.4Å; P623-R626 VanDerWaalsContact CG-NH2 3.28Å; P623-R626 CarbonylContact O-C 2.82Å; P623-R626 PolarHBondContact O-N 2.79Å; P623-F627 PolarHBondContact O-N 2.86Å; P623-F627 VanDerWaalsContact O-N 3.07Å
624	S	93	Very high	92.7	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-53.9	-29.8	179.3	-70.8	0	0	0	0	113.3	R589 T614 D616 R626 F627	R589-S624 PolarHBondContact NH1-OG 2.75Å; R589-S624 VanDerWaalsContact NH1-OG 3.13Å; T614-S624 VanDerWaalsContact O-CB 3.24Å; T614-S624 WeakPolarHBondContact O-CB 3.47Å; T614-S624 PolarHBondContact OG1-OG 3.13Å; D616-S624 PolarHBondContact OD1-N 2.91Å; D616-S624 VanDerWaalsContact OD1-N 3.11Å; S624-R626 VanDerWaalsContact C-N 3.27Å; S624-R626 PolarHBondContact O-N 3.29Å; S624-F627 PolarHBondContact O-N 3.31Å
625	S	94.7	Very high	93	Very high	21 Å²	21	58.3 Å²	58.3	15%	0.147	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63.8	-25.4	174.7	62.1	0	0	0	0	114.8	D616 P623 P664 I665	D616-S625 VanDerWaalsContact CG-OG 3.25Å; D616-S625 VanDerWaalsContact OD1-CB 3.28Å; D616-S625 WeakPolarHBondContact OD1-CB 3.35Å; D616-S625 PolarHBondContact OD1-N 2.78Å; D616-S625 PolarHBondContact OD1-OG 2.85Å; D616-S625 VanDerWaalsContact OD1-OG 3.13Å; D616-S625 VanDerWaalsContact OD2-CB 3.27Å; D616-S625 WeakPolarHBondContact OD2-CB 3.16Å; D616-S625 PolarHBondContact OD2-OG 2.81Å; P623-S625 PolarHBondContact O-N 3.03Å; P623-S625 VanDerWaalsContact O-N 3.09Å; S625-P664 WeakPolarHBondContact O-CA 3.48Å; S625-I665 PolarHBondContact O-N 3.36Å
626	R	95.7	Very high	93.3	Very high	162 Å²	162	54.8 Å²	54.8	61%	0.611	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-115.3	3.1	179.6	-64.4	-171.2	-71.6	110.7	-6.7	113.1	I622 P623 S624	I622-R626 HydrophobicContact CG2-CB 4.26Å; P623-R626 HydrophobicContact CG-CB 4.28Å; P623-R626 HydrophobicContact CG-CG 4.4Å; P623-R626 VanDerWaalsContact CG-NH2 3.28Å; P623-R626 CarbonylContact O-C 2.82Å; P623-R626 PolarHBondContact O-N 2.79Å; S624-R626 VanDerWaalsContact C-N 3.27Å; S624-R626 PolarHBondContact O-N 3.29Å
627	F	96.3	Very high	93.6	Very high	19 Å²	19	51.1 Å²	51.1	8%	0.083	28%	0.276	C	S	.	.			trans	-75.5	143.9	-178.1	177	-101.2	0	0	0	111.2	N586 I622 P623 S624 I662 V663 P664	N586-F627 HydrophobicContact CB-CE1 4.46Å; N586-F627 HydrophobicContact CB-CZ 4Å; N586-F627 WeakPolarHBondContact ND2-CZ 3.41Å; I622-F627 HydrophobicContact CG2-CB 4.35Å; P623-F627 PolarHBondContact O-N 2.86Å; P623-F627 VanDerWaalsContact O-N 3.07Å; S624-F627 PolarHBondContact O-N 3.31Å; F627-I662 HydrophobicContact CD1-CB 3.83Å; F627-I662 HydrophobicContact CD1-CD1 4.42Å; F627-I662 HydrophobicContact CD1-CG2 3.78Å; F627-I662 HydrophobicContact CE1-CB 4Å; F627-I662 HydrophobicContact CE1-CD1 4.4Å; F627-I662 HydrophobicContact CE1-CG2 4.46Å; F627-V663 CarbonylContact O-C 2.63Å; F627-P664 VanDerWaalsContact O-CD 3.27Å; F627-P664 WeakPolarHBondContact O-CD 3.33Å
628	S	97.5	Very high	94	Very high	79 Å²	79	50.6 Å²	50.6	55%	0.552	27%	0.271	S	S	*	.			trans	-136	125.5	168.9	-168	0	0	0	0	109.2	I662	S628-I662 WeakPolarHBondContact CA-O 3.47Å
629	G	96.7	Very high	94.7	Very high	20 Å²	20	42.4 Å²	42.4	21%	0.206	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.1	-178.2	179.5	0	0	0	0	0	112.7	N661 I662	G629-N661 PolarHBondContact O-OD1 3.27Å; G629-I662 PolarHBondContact N-O 2.89Å; G629-I662 PolarHBondContact O-N 3.42Å
630	V	96.8	Very high	95.4	Very high	51 Å²	51	39 Å²	39	31%	0.309	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.7	-179.8	-176.4	0	0	0	0	109.9	N586 E632 K659 A660	N586-V630 PolarHBondContact ND2-O 3.39Å; V630-E632 HydrophobicContact CG1-CG 4.06Å; V630-K659 HydrophobicContact CG1-CD 4.43Å; V630-K659 HydrophobicContact CG1-CG 3.59Å; V630-A660 WeakPolarHBondContact CA-O 3.32Å
631	A	96.2	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.9	172.6	0	0	0	0	0	110.8	Y585 N586 L590 A660 I662	Y585-A631 WeakPolarHBondContact O-CA 3.48Å; N586-A631 HydrophobicContact CB-CB 4.14Å; N586-A631 WeakPolarHBondContact O-CB 3.23Å; L590-A631 HydrophobicContact CD1-CB 3.83Å; L590-A631 HydrophobicContact CD2-CB 4.03Å; L590-A631 HydrophobicContact CG-CB 3.62Å; A631-A660 PolarHBondContact N-O 3.27Å; A631-A660 PolarHBondContact O-N 3.44Å; A631-I662 HydrophobicContact CB-CD1 3.64Å; A631-I662 HydrophobicContact CB-CG1 4.32Å
632	E	97	Very high	95.7	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.5	-174.4	-62.3	-167.5	-124.7	0	0	113.3	Y582 Y585 G587 V630 I658 K659 P1048 Y1053	Y582-E632 WeakPolarHBondContact CB-O 3.37Å; Y582-E632 HydrophobicContact CD2-CB 4.13Å; Y582-E632 PolarHBondContact N-O 3.47Å; Y582-E632 VanDerWaalsContact N-O 3.09Å; Y585-E632 PolarHBondContact O-N 3.47Å; G587-E632 WeakPolarHBondContact CA-O 3.5Å; V630-E632 HydrophobicContact CG1-CG 4.06Å; E632-I658 CarbonylContact C-O 3.52Å; E632-I658 VanDerWaalsContact CA-O 3.29Å; E632-I658 WeakPolarHBondContact CA-O 3.31Å; E632-K659 HydrophobicContact CG-CB 4.27Å; E632-K659 HydrophobicContact CG-CD 4.47Å; E632-K659 HydrophobicContact CG-CG 3.89Å; E632-K659 WeakPolarHBondContact OE1-CE 3.17Å; E632-K659 IonicContact OE1-NZ 3.78Å; E632-P1048 WeakPolarHBondContact OE2-CB 3.41Å; E632-P1048 WeakPolarHBondContact OE2-CG 3.34Å; E632-Y1053 PolarHBondContact OE2-OH 3.42Å
633	G	96.9	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-168	173.4	0	0	0	0	0	111	H580 I658	H580-G633 CarbonylContact O-C 3.6Å; H580-G633 WeakPolarHBondContact O-CA 3.36Å; G633-I658 PolarHBondContact N-O 2.82Å; G633-I658 PolarHBondContact O-N 3.11Å
634	Y	97.3	Very high	93.8	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.047	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153	171.8	65.1	-81.4	0	0	0	112.2	Y579 H580 Y582 R655 L656 D1044	Y579-Y634 WeakPolarHBondContact CD2-O 2.92Å; H580-Y634 HydrophobicContact CB-CD1 3.77Å; H580-Y634 HydrophobicContact CB-CD2 4.17Å; H580-Y634 HydrophobicContact CB-CE1 3.4Å; H580-Y634 HydrophobicContact CB-CE2 3.84Å; H580-Y634 HydrophobicContact CB-CG 4.14Å; H580-Y634 VanDerWaalsContact CB-CZ 3.45Å; H580-Y634 AromaticContact CD2-CD2 3.85Å; H580-Y634 AromaticContact CD2-CE2 3.44Å; H580-Y634 VanDerWaalsContact CD2-CE2 3.44Å; H580-Y634 WeakPolarHBondContact CD2-CE2 3.36Å; H580-Y634 AromaticContact CD2-CZ 3.87Å; H580-Y634 AromaticContact CG-CE2 3.61Å; H580-Y634 AromaticContact CG-CZ 3.51Å; H580-Y634 PolarHBondContact N-O 3.16Å; H580-Y634 PolarHBondContact O-N 2.67Å; Y582-Y634 HydrophobicContact CE1-CD1 4.23Å; Y582-Y634 AromaticContact CE1-CE1 3.94Å; Y582-Y634 HydrophobicContact CE1-CE1 3.94Å; Y582-Y634 AromaticContact CE2-CD1 3.91Å; Y582-Y634 HydrophobicContact CE2-CD1 3.91Å; Y582-Y634 HydrophobicContact CE2-CE1 4.45Å; Y582-Y634 AromaticContact CZ-CD1 3.56Å; Y582-Y634 AromaticContact CZ-CE1 3.68Å; Y582-Y634 VanDerWaalsContact OH-CD1 3.29Å; Y582-Y634 WeakPolarHBondContact OH-CD1 3.27Å; Y582-Y634 WeakPolarHBondContact OH-CE1 3.29Å; Y634-R655 HydrophobicContact CD2-CB 4.11Å; Y634-R655 HydrophobicContact CD2-CG 3.95Å; Y634-R655 HydrophobicContact CE2-CG 4.03Å; Y634-L656 CarbonylContact C-O 3.5Å; Y634-L656 WeakPolarHBondContact CA-O 3.45Å; Y634-L656 WeakPolarHBondContact CB-O 3.13Å; Y634-D1044 HydrophobicContact CE1-CB 4.37Å; Y634-D1044 VanDerWaalsContact CE1-OD2 3.27Å; Y634-D1044 WeakPolarHBondContact CE1-OD2 3.3Å; Y634-D1044 PolarHBondContact OH-OD2 3.24Å
635	V	97.5	Very high	92.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.1	169	170.2	0	0	0	0	109	P577 I578 Y579 V592 I594 R655 L656 I658	P577-V635 HydrophobicContact CB-CG1 3.92Å; I578-V635 CarbonylContact O-C 3.48Å; I578-V635 WeakPolarHBondContact O-CA 3.37Å; Y579-V635 HydrophobicContact CD2-CG2 4.13Å; V592-V635 HydrophobicContact CG1-CG2 4Å; I594-V635 HydrophobicContact CD1-CB 4.38Å; I594-V635 HydrophobicContact CD1-CG1 3.62Å; I594-V635 HydrophobicContact CD1-CG2 3.78Å; V635-R655 CarbonylContact O-C 3.59Å; V635-R655 WeakPolarHBondContact O-CA 3.48Å; V635-L656 HydrophobicContact CB-CB 4.3Å; V635-L656 PolarHBondContact N-O 2.98Å; V635-L656 PolarHBondContact O-N 3.11Å; V635-I658 HydrophobicContact CG2-CD1 3.82Å
636	S	97	Very high	91.3	Very high	26 Å²	26	43.1 Å²	43.1	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.1	172.8	76.7	0	0	0	0	111.7	P577 I578 H580 L654	P577-S636 WeakPolarHBondContact CA-O 3.24Å; I578-S636 PolarHBondContact N-O 2.8Å; I578-S636 PolarHBondContact O-N 2.82Å; H580-S636 WeakPolarHBondContact NE2-CB 3.44Å; H580-S636 PolarHBondContact NE2-OG 3.17Å; S636-L654 VanDerWaalsContact CA-O 3.28Å; S636-L654 WeakPolarHBondContact CA-O 3.42Å
637	L	97.3	Very high	90.4	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.5	168.2	65.2	138.5	0	0	0	111	I563 I573 P577 L607 V639 L654	I563-L637 HydrophobicContact CD1-CD1 4.04Å; I573-L637 HydrophobicContact CD1-CD1 3.69Å; I573-L637 HydrophobicContact CG1-CD1 3.9Å; P577-L637 HydrophobicContact CB-CB 4.14Å; P577-L637 HydrophobicContact CG-CB 4.04Å; L607-L637 HydrophobicContact CD2-CD2 3.91Å; L637-V639 HydrophobicContact CD1-CG2 3.89Å; L637-L654 HydrophobicContact CD1-CD1 4.13Å; L637-L654 HydrophobicContact CD2-CB 4.15Å; L637-L654 HydrophobicContact CG-CB 4.08Å; L637-L654 HydrophobicContact CG-CD1 4.26Å; L637-L654 PolarHBondContact N-O 3.29Å; L637-L654 VanDerWaalsContact N-O 3.11Å; L637-L654 PolarHBondContact O-N 3.37Å
638	V	98.1	Very high	89.7	Confident	42 Å²	42	42.3 Å²	42.3	26%	0.255	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.1	177.5	-174.4	0	0	0	0	109.1	T574 N651 T652 N653	T574-V638 PolarHBondContact N-O 3.45Å; T574-V638 PolarHBondContact OG1-O 3.47Å; V638-N651 HydrophobicContact CG1-CB 4.11Å; V638-T652 WeakPolarHBondContact CA-O 3.36Å; V638-N653 WeakPolarHBondContact CG1-OD1 3.49Å; V638-N653 WeakPolarHBondContact CG2-OD1 3.19Å
639	V	98.1	Very high	89.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.9	172.2	-179.2	0	0	0	0	108.1	A527 I563 M567 R572 I573 L600 L637 N651 T652 L654	A527-V639 HydrophobicContact CB-CB 3.79Å; A527-V639 HydrophobicContact CB-CG1 4.02Å; A527-V639 HydrophobicContact CB-CG2 3.92Å; I563-V639 HydrophobicContact CG2-CG2 4.05Å; M567-V639 HydrophobicContact CE-CB 4.23Å; M567-V639 HydrophobicContact CE-CG1 3.76Å; R572-V639 WeakPolarHBondContact O-CA 3.5Å; I573-V639 HydrophobicContact CG1-CG2 4.4Å; L600-V639 HydrophobicContact CD1-CG1 3.53Å; L600-V639 HydrophobicContact CD1-CG2 4.32Å; L637-V639 HydrophobicContact CD1-CG2 3.89Å; V639-N651 CarbonylContact O-C 3.54Å; V639-N651 VanDerWaalsContact O-CA 3.25Å; V639-N651 WeakPolarHBondContact O-CA 3.28Å; V639-T652 PolarHBondContact N-O 3.05Å; V639-T652 PolarHBondContact O-N 3.37Å; V639-L654 HydrophobicContact CG2-CD1 3.77Å
640	E	96.8	Very high	89	Confident	74 Å²	74	41.6 Å²	41.6	35%	0.346	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.1	174.7	-177.3	179.6	-140.6	0	0	109.9	G571 R572 T574 S649 L650	G571-E640 CarbonylContact C-O 2.88Å; G571-E640 WeakPolarHBondContact CA-O 3.13Å; R572-E640 PolarHBondContact N-O 3.08Å; R572-E640 PolarHBondContact O-N 2.55Å; T574-E640 HydrophobicContact CG2-CB 3.44Å; T574-E640 VanDerWaalsContact CG2-CB 3.44Å; T574-E640 HydrophobicContact CG2-CG 4.38Å; E640-S649 VanDerWaalsContact CD-OG 3.28Å; E640-S649 WeakPolarHBondContact CG-OG 3.47Å; E640-S649 PolarHBondContact OE1-OG 2.96Å; E640-L650 CarbonylContact C-O 3.52Å; E640-L650 VanDerWaalsContact CA-O 3.3Å; E640-L650 WeakPolarHBondContact CA-O 2.98Å
641	S	95.2	Very high	88.9	Confident	5 Å²	5	44.3 Å²	44.3	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.6	172.3	-60	0	0	0	0	109.7	N565 V570 G571 L650	N565-S641 PolarHBondContact ND2-OG 3.49Å; V570-S641 PolarHBondContact O-OG 3.37Å; G571-S641 WeakPolarHBondContact CA-OG 3.37Å; S641-L650 PolarHBondContact N-O 2.8Å; S641-L650 PolarHBondContact O-N 3.08Å
642	Y	86.2	Confident	88.9	Confident	106 Å²	106	44.6 Å²	44.6	42%	0.416	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111	-179.4	-174.2	-103.2	0	0	0	110.1	T644 N647	Y642-T644 HydrophobicContact CD1-CG2 3.94Å; Y642-T644 HydrophobicContact CE1-CG2 4.26Å; Y642-T644 PolarHBondContact O-N 3.09Å; Y642-T644 VanDerWaalsContact O-N 3.11Å; Y642-N647 VanDerWaalsContact OH-CG 3.29Å; Y642-N647 PolarHBondContact OH-OD1 3.11Å
643	D	76.8	Confident	88.9	Confident	19 Å²	19	49.6 Å²	49.6	10%	0.102	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	104.4	175.6	-170.6	-36.2	0	0	0	109.6	V645 R646 N647 L648 L650	D643-V645 VanDerWaalsContact C-N 3.27Å; D643-V645 PolarHBondContact O-N 3.37Å; D643-V645 WeakPolarHBondContact OD1-CA 3.28Å; D643-V645 WeakPolarHBondContact OD1-CB 3.21Å; D643-V645 PolarHBondContact OD1-N 2.88Å; D643-R646 HydrophobicContact CB-CB 4.34Å; D643-R646 PolarHBondContact OD1-N 3.39Å; D643-R646 IonicContact OD2-CZ 3.59Å; D643-R646 IonicContact OD2-NE 2.96Å; D643-R646 PolarHBondContact OD2-NE 3.18Å; D643-R646 IonicContact OD2-NH2 3.5Å; D643-R646 PolarHBondContact OD2-NH2 2.94Å; D643-N647 VanDerWaalsContact O-CA 3.25Å; D643-N647 WeakPolarHBondContact O-CA 3.2Å; D643-N647 PolarHBondContact O-N 3.43Å; D643-L648 HydrophobicContact CB-CD1 4.32Å; D643-L648 HydrophobicContact CB-CG 4.43Å; D643-L648 PolarHBondContact N-O 2.68Å; D643-L648 PolarHBondContact O-N 2.89Å; D643-L650 HydrophobicContact CB-CD1 3.87Å; D643-L650 HydrophobicContact CB-CG 4.21Å
644	T	69.3	Low	88.9	Confident	96 Å²	96	49.7 Å²	49.7	59%	0.589	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.4	179.3	56.2	0	0	0	0	113.4	Y642	Y642-T644 HydrophobicContact CD1-CG2 3.94Å; Y642-T644 HydrophobicContact CE1-CG2 4.26Å; Y642-T644 PolarHBondContact O-N 3.09Å; Y642-T644 VanDerWaalsContact O-N 3.11Å
645	V	66	Low	88.8	Confident	119 Å²	119	56 Å²	56	72%	0.721	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-43.4	179.9	-177.5	0	0	0	0	109.9	D643	D643-V645 VanDerWaalsContact C-N 3.27Å; D643-V645 PolarHBondContact O-N 3.37Å; D643-V645 WeakPolarHBondContact OD1-CA 3.28Å; D643-V645 WeakPolarHBondContact OD1-CB 3.21Å; D643-V645 PolarHBondContact OD1-N 2.88Å
646	R	69.4	Low	88.8	Confident	58 Å²	58	56 Å²	56	22%	0.219	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.8	-179.4	-65.1	-175.3	-73.6	163.3	0.2	113.8	I457 D643 L648	I457-R646 HydrophobicContact CD1-CB 4.4Å; I457-R646 HydrophobicContact CG2-CG 4.36Å; D643-R646 HydrophobicContact CB-CB 4.34Å; D643-R646 PolarHBondContact OD1-N 3.39Å; D643-R646 IonicContact OD2-CZ 3.59Å; D643-R646 IonicContact OD2-NE 2.96Å; D643-R646 PolarHBondContact OD2-NE 3.18Å; D643-R646 IonicContact OD2-NH2 3.5Å; D643-R646 PolarHBondContact OD2-NH2 2.94Å; R646-L648 VanDerWaalsContact C-N 3.27Å; R646-L648 HydrophobicContact CB-CD2 3.55Å; R646-L648 HydrophobicContact CB-CG 3.77Å; R646-L648 PolarHBondContact O-N 3.39Å
647	N	75.2	Confident	88.8	Confident	121 Å²	121	55.2 Å²	55.2	65%	0.647	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42.5	-179.6	-167.5	75.6	0	0	0	112.3	Y642 D643	Y642-N647 VanDerWaalsContact OH-CG 3.29Å; Y642-N647 PolarHBondContact OH-OD1 3.11Å; D643-N647 VanDerWaalsContact O-CA 3.25Å; D643-N647 WeakPolarHBondContact O-CA 3.2Å; D643-N647 PolarHBondContact O-N 3.43Å
648	L	83.2	Confident	88.9	Confident	42 Å²	42	55 Å²	55	22%	0.22	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.5	-176.8	65.2	85.2	0	0	0	111.7	I457 D643 R646 L650	I457-L648 HydrophobicContact CB-CD2 4.46Å; I457-L648 HydrophobicContact CD1-CD2 3.91Å; I457-L648 HydrophobicContact CG2-CD2 3.64Å; D643-L648 HydrophobicContact CB-CD1 4.32Å; D643-L648 HydrophobicContact CB-CG 4.43Å; D643-L648 PolarHBondContact N-O 2.68Å; D643-L648 PolarHBondContact O-N 2.89Å; R646-L648 VanDerWaalsContact C-N 3.27Å; R646-L648 HydrophobicContact CB-CD2 3.55Å; R646-L648 HydrophobicContact CB-CG 3.77Å; R646-L648 PolarHBondContact O-N 3.39Å; L648-L650 HydrophobicContact CD1-CD2 3.31Å; L648-L650 HydrophobicContact CD1-CG 3.53Å
649	S	87.8	Confident	88.8	Confident	60 Å²	60	54 Å²	54	42%	0.42	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.3	171.2	-169.7	0	0	0	0	109.9	E640	E640-S649 VanDerWaalsContact CD-OG 3.28Å; E640-S649 WeakPolarHBondContact CG-OG 3.47Å; E640-S649 PolarHBondContact OE1-OG 2.96Å
650	L	91.3	Very high	88.8	Confident	24 Å²	24	54 Å²	54	13%	0.126	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.2	171.3	-64.4	168.8	0	0	0	108.8	P525 M567 E640 S641 D643 L648	P525-L650 HydrophobicContact CB-CD1 4.11Å; P525-L650 HydrophobicContact CG-CD1 4.08Å; M567-L650 HydrophobicContact CB-CB 4.29Å; M567-L650 HydrophobicContact CB-CD1 3.78Å; M567-L650 HydrophobicContact CG-CB 4.09Å; M567-L650 HydrophobicContact CG-CD1 3.96Å; M567-L650 HydrophobicContact SD-CB 3.42Å; M567-L650 WeakPolarHBondContact SD-CB 2.76Å; M567-L650 HydrophobicContact SD-CD1 4.38Å; E640-L650 CarbonylContact C-O 3.52Å; E640-L650 VanDerWaalsContact CA-O 3.3Å; E640-L650 WeakPolarHBondContact CA-O 2.98Å; S641-L650 PolarHBondContact N-O 2.8Å; S641-L650 PolarHBondContact O-N 3.08Å; D643-L650 HydrophobicContact CB-CD1 3.87Å; D643-L650 HydrophobicContact CB-CG 4.21Å; L648-L650 HydrophobicContact CD1-CD2 3.31Å; L648-L650 HydrophobicContact CD1-CG 3.53Å
651	N	94.4	Very high	88.8	Confident	108 Å²	108	53.5 Å²	53.5	58%	0.578	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.2	171.9	60.8	13.7	0	0	0	111.2	V638 V639	V638-N651 HydrophobicContact CG1-CB 4.11Å; V639-N651 CarbonylContact O-C 3.54Å; V639-N651 VanDerWaalsContact O-CA 3.25Å; V639-N651 WeakPolarHBondContact O-CA 3.28Å
652	T	96.6	Very high	89	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.043	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.8	172.8	-57.8	0	0	0	0	109	Q526 A527 M567 V638 V639 L654	Q526-T652 WeakPolarHBondContact CA-OG1 3.14Å; Q526-T652 HydrophobicContact CB-CG2 4.27Å; A527-T652 HydrophobicContact CB-CG2 4.06Å; A527-T652 PolarHBondContact N-OG1 2.95Å; M567-T652 PolarHBondContact SD-OG1 2.96Å; M567-T652 VanDerWaalsContact SD-OG1 3.42Å; V638-T652 WeakPolarHBondContact CA-O 3.36Å; V639-T652 PolarHBondContact N-O 3.05Å; V639-T652 PolarHBondContact O-N 3.37Å; T652-L654 HydrophobicContact CG2-CD2 3.77Å; T652-L654 HydrophobicContact CG2-CG 4.24Å
653	N	96.4	Very high	89.5	Confident	118 Å²	118	49.6 Å²	49.6	63%	0.631	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	111.7	171.9	-63	-29.9	0	0	0	108.6	V638	V638-N653 WeakPolarHBondContact CG1-OD1 3.49Å; V638-N653 WeakPolarHBondContact CG2-OD1 3.19Å
654	L	96.9	Very high	90.5	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.4	177.5	-60.1	173.1	0	0	0	110.2	A527 L529 I563 S636 L637 V639 T652	A527-L654 HydrophobicContact CB-CD1 3.91Å; A527-L654 HydrophobicContact CB-CD2 4.24Å; A527-L654 HydrophobicContact CB-CG 4.34Å; A527-L654 WeakPolarHBondContact O-CD2 3.45Å; L529-L654 HydrophobicContact CD1-CB 4.25Å; L529-L654 HydrophobicContact CD2-CD1 3.79Å; L529-L654 HydrophobicContact CG-CB 4.41Å; L529-L654 HydrophobicContact CG-CD1 4.05Å; I563-L654 HydrophobicContact CG2-CD1 4.28Å; S636-L654 VanDerWaalsContact CA-O 3.28Å; S636-L654 WeakPolarHBondContact CA-O 3.42Å; L637-L654 HydrophobicContact CD1-CD1 4.13Å; L637-L654 HydrophobicContact CD2-CB 4.15Å; L637-L654 HydrophobicContact CG-CB 4.08Å; L637-L654 HydrophobicContact CG-CD1 4.26Å; L637-L654 PolarHBondContact N-O 3.29Å; L637-L654 VanDerWaalsContact N-O 3.11Å; L637-L654 PolarHBondContact O-N 3.37Å; V639-L654 HydrophobicContact CG2-CD1 3.77Å; T652-L654 HydrophobicContact CG2-CD2 3.77Å; T652-L654 HydrophobicContact CG2-CG 4.24Å
655	R	95.4	Very high	91.8	Very high	144 Å²	144	50 Å²	50	54%	0.543	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.9	171.5	-67.1	-175.5	177.1	-172.7	-5.1	108.7	Y634 V635 P657	Y634-R655 HydrophobicContact CD2-CB 4.11Å; Y634-R655 HydrophobicContact CD2-CG 3.95Å; Y634-R655 HydrophobicContact CE2-CG 4.03Å; V635-R655 CarbonylContact O-C 3.59Å; V635-R655 WeakPolarHBondContact O-CA 3.48Å; R655-P657 WeakPolarHBondContact O-CD 3.42Å
656	L	97.5	Very high	93.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	98.6	175.3	-179.4	66.1	0	0	0	108.3	L529 S532 L534 I561 L607 V609 Y634 V635	L529-L656 HydrophobicContact CD1-CB 3.72Å; L529-L656 HydrophobicContact CD1-CD1 4.04Å; L529-L656 HydrophobicContact CD1-CG 4.37Å; S532-L656 WeakPolarHBondContact O-CD1 3.38Å; L534-L656 HydrophobicContact CD1-CD2 3.98Å; L534-L656 HydrophobicContact CD1-CG 4.41Å; L534-L656 HydrophobicContact CG-CD1 4.11Å; L534-L656 HydrophobicContact CG-CD2 4.2Å; L534-L656 HydrophobicContact CG-CG 4.2Å; I561-L656 HydrophobicContact CD1-CD2 3.73Å; I561-L656 HydrophobicContact CG1-CD2 4.09Å; L607-L656 HydrophobicContact CD2-CD2 3.97Å; V609-L656 HydrophobicContact CG2-CD2 3.9Å; Y634-L656 CarbonylContact C-O 3.5Å; Y634-L656 WeakPolarHBondContact CA-O 3.45Å; Y634-L656 WeakPolarHBondContact CB-O 3.13Å; V635-L656 HydrophobicContact CB-CB 4.3Å; V635-L656 PolarHBondContact N-O 2.98Å; V635-L656 PolarHBondContact O-N 3.11Å
657	P	97.6	Very high	94.6	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	145.3	177.6	32.5	-36.4	0	0	0	110.8	S532 L534 R655 F1052 Y1053	S532-P657 WeakPolarHBondContact O-CD 3.12Å; L534-P657 PolarHBondContact N-O 2.87Å; R655-P657 WeakPolarHBondContact O-CD 3.42Å; P657-F1052 HydrophobicContact CB-CB 4.27Å; P657-F1052 HydrophobicContact CG-CB 4.03Å; P657-F1052 WeakPolarHBondContact CG-O 3.33Å; P657-Y1053 HydrophobicContact CB-CD1 4.18Å; P657-Y1053 HydrophobicContact CB-CE1 3.67Å; P657-Y1053 HydrophobicContact CG-CD1 4.15Å; P657-Y1053 HydrophobicContact CG-CE1 4.14Å
658	I	97.9	Very high	95.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.2	-174.6	-54.1	-179.3	0	0	0	108.3	L534 L590 V592 V609 L611 E632 G633 V635 Y1053	L534-I658 HydrophobicContact CB-CG1 4.38Å; L534-I658 HydrophobicContact CD1-CD1 4.44Å; L534-I658 HydrophobicContact CD1-CG1 4.22Å; L534-I658 CarbonylContact O-C 3.39Å; L534-I658 VanDerWaalsContact O-CA 3.31Å; L534-I658 WeakPolarHBondContact O-CA 3.47Å; L590-I658 HydrophobicContact CD1-CG2 4.23Å; V592-I658 HydrophobicContact CG1-CD1 4.45Å; V609-I658 HydrophobicContact CG1-CD1 4.18Å; L611-I658 HydrophobicContact CD1-CG2 4.01Å; L611-I658 HydrophobicContact CD2-CD1 4.27Å; L611-I658 HydrophobicContact CD2-CG2 4.18Å; E632-I658 CarbonylContact C-O 3.52Å; E632-I658 VanDerWaalsContact CA-O 3.29Å; E632-I658 WeakPolarHBondContact CA-O 3.31Å; G633-I658 PolarHBondContact N-O 2.82Å; G633-I658 PolarHBondContact O-N 3.11Å; V635-I658 HydrophobicContact CG2-CD1 3.82Å; I658-Y1053 PolarHBondContact O-OH 3.03Å
659	K	97.5	Very high	95.9	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.096	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.2	175	-172	169.7	-156.7	167.7	0	108.5	L534 D535 L536 T537 V630 E632 E1050 Y1053	L534-K659 PolarHBondContact O-N 2.7Å; D535-K659 HydrophobicContact CB-CB 4.44Å; L536-K659 PolarHBondContact N-O 2.68Å; T537-K659 HydrophobicContact CG2-CG 4.19Å; V630-K659 HydrophobicContact CG1-CD 4.43Å; V630-K659 HydrophobicContact CG1-CG 3.59Å; E632-K659 HydrophobicContact CG-CB 4.27Å; E632-K659 HydrophobicContact CG-CD 4.47Å; E632-K659 HydrophobicContact CG-CG 3.89Å; E632-K659 WeakPolarHBondContact OE1-CE 3.17Å; E632-K659 IonicContact OE1-NZ 3.78Å; K659-E1050 IonicContact NZ-OE1 3.09Å; K659-E1050 PolarHBondContact NZ-OE1 3.42Å; K659-E1050 IonicContact NZ-OE2 3.07Å; K659-E1050 PolarHBondContact NZ-OE2 3.09Å; K659-Y1053 HydrophobicContact CB-CE1 3.67Å; K659-Y1053 HydrophobicContact CD-CE1 4.47Å; K659-Y1053 HydrophobicContact CD-CE2 4.19Å
660	A	97.8	Very high	96.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.3	-178.2	0	0	0	0	0	111.6	L536 L550 L590 V630 A631	L536-A660 HydrophobicContact CB-CB 4.37Å; L536-A660 HydrophobicContact CD1-CB 3.96Å; L536-A660 HydrophobicContact CG-CB 4.29Å; L550-A660 HydrophobicContact CD1-CB 3.74Å; L550-A660 HydrophobicContact CG-CB 4.45Å; L590-A660 HydrophobicContact CD2-CB 4.08Å; V630-A660 WeakPolarHBondContact CA-O 3.32Å; A631-A660 PolarHBondContact N-O 3.27Å; A631-A660 PolarHBondContact O-N 3.44Å
661	N	97.5	Very high	96.7	Very high	63 Å²	63	46.3 Å²	46.3	34%	0.337	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.4	175.3	-158.8	12.4	0	0	0	109.7	T537 P549 L550 G629	T537-N661 HydrophobicContact CG2-CB 4.41Å; P549-N661 HydrophobicContact CB-CB 4.35Å; L550-N661 PolarHBondContact N-O 2.58Å; G629-N661 PolarHBondContact O-OD1 3.27Å
662	I	98	Very high	96.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.8	177.2	-56.9	176.5	0	0	0	108.8	L550 R589 L590 V613 F627 S628 G629 A631	L550-I662 HydrophobicContact CB-CG1 4.45Å; L550-I662 CarbonylContact O-C 3.53Å; L550-I662 VanDerWaalsContact O-CA 3.25Å; L550-I662 WeakPolarHBondContact O-CA 3.15Å; R589-I662 HydrophobicContact CB-CD1 3.8Å; L590-I662 HydrophobicContact CD2-CD1 4.03Å; L590-I662 HydrophobicContact CD2-CG1 4.49Å; V613-I662 HydrophobicContact CG1-CD1 4.35Å; V613-I662 HydrophobicContact CG1-CG2 4.23Å; V613-I662 HydrophobicContact CG2-CD1 4.1Å; V613-I662 HydrophobicContact CG2-CG1 4.1Å; V613-I662 HydrophobicContact CG2-CG2 4.07Å; F627-I662 HydrophobicContact CD1-CB 3.83Å; F627-I662 HydrophobicContact CD1-CD1 4.42Å; F627-I662 HydrophobicContact CD1-CG2 3.78Å; F627-I662 HydrophobicContact CE1-CB 4Å; F627-I662 HydrophobicContact CE1-CD1 4.4Å; F627-I662 HydrophobicContact CE1-CG2 4.46Å; S628-I662 WeakPolarHBondContact CA-O 3.47Å; G629-I662 PolarHBondContact N-O 2.89Å; G629-I662 PolarHBondContact O-N 3.42Å; A631-I662 HydrophobicContact CB-CD1 3.64Å; A631-I662 HydrophobicContact CB-CG1 4.32Å
663	V	97.7	Very high	96.9	Very high	29 Å²	29	40.9 Å²	40.9	18%	0.176	20%	0.2	C	C	.	.			trans	-125.1	162.4	174.2	-64	0	0	0	0	111.3	P549 L550 Y551 F627	P549-V663 HydrophobicContact CB-CB 4.39Å; P549-V663 HydrophobicContact CB-CG1 3.7Å; P549-V663 HydrophobicContact CB-CG2 3.9Å; P549-V663 HydrophobicContact CG-CB 4.2Å; P549-V663 HydrophobicContact CG-CG1 3.64Å; P549-V663 HydrophobicContact CG-CG2 3.47Å; P549-V663 VanDerWaalsContact CG-CG2 3.47Å; L550-V663 PolarHBondContact O-N 2.95Å; Y551-V663 WeakPolarHBondContact CB-O 3.27Å; Y551-V663 HydrophobicContact CD1-CG2 4.17Å; F627-V663 CarbonylContact O-C 2.63Å
664	P	97.6	Very high	96.9	Very high	57 Å²	57	35.2 Å²	35.2	37%	0.37	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-59.8	153.9	171.9	-24	36	0	0	0	110.9	S625 F627 P666	S625-P664 WeakPolarHBondContact O-CA 3.48Å; F627-P664 VanDerWaalsContact O-CD 3.27Å; F627-P664 WeakPolarHBondContact O-CD 3.33Å; P664-P666 VanDerWaalsContact O-CD 3.24Å; P664-P666 WeakPolarHBondContact O-CD 2.84Å; P664-P666 VanDerWaalsContact O-N 3.09Å
665	I	97.3	Very high	96.8	Very high	68 Å²	68	35.2 Å²	35.2	35%	0.349	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-53.9	118.7	180	-58.9	-178.9	0	0	0	109.6	S552 S625	S552-I665 WeakPolarHBondContact O-CG1 2.93Å; S625-I665 PolarHBondContact O-N 3.36Å
666	P	97.3	Very high	96.7	Very high	16 Å²	16	28.4 Å²	28.4	10%	0.104	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-61.7	151.2	176.1	-23.4	34.1	0	0	0	111.1	Y551 P664 R668 R671 F723	Y551-P666 HydrophobicContact CD1-CG 3.7Å; Y551-P666 VanDerWaalsContact CD2-CD 3.47Å; Y551-P666 HydrophobicContact CD2-CG 4.34Å; Y551-P666 HydrophobicContact CE1-CG 3.66Å; Y551-P666 HydrophobicContact CE2-CG 4.33Å; Y551-P666 HydrophobicContact CG-CG 4.05Å; P664-P666 VanDerWaalsContact O-CD 3.24Å; P664-P666 WeakPolarHBondContact O-CD 2.84Å; P664-P666 VanDerWaalsContact O-N 3.09Å; P666-R668 PolarHBondContact O-N 3.38Å; P666-R671 HydrophobicContact CB-CG 4.13Å; P666-F723 HydrophobicContact CB-CD2 3.55Å; P666-F723 HydrophobicContact CB-CE2 3.55Å; P666-F723 HydrophobicContact CB-CG 4.25Å; P666-F723 HydrophobicContact CB-CZ 4.22Å; P666-F723 HydrophobicContact CG-CD1 4.05Å; P666-F723 HydrophobicContact CG-CD2 3.57Å; P666-F723 HydrophobicContact CG-CE1 3.96Å; P666-F723 HydrophobicContact CG-CE2 3.51Å; P666-F723 HydrophobicContact CG-CG 3.84Å; P666-F723 HydrophobicContact CG-CZ 3.69Å
667	H	95.4	Very high	96.5	Very high	137 Å²	137	28.6 Å²	28.6	63%	0.634	15%	0.145	S	C	*	.	P	Polyproline II helix	trans	-55	136.5	175.4	-172.2	-92.6	0	0	0	110.3	S669 K670	H667-S669 PolarHBondContact CE1-OG 2.87Å; H667-S669 PolarHBondContact ND1-N 3.21Å; H667-S669 PolarHBondContact ND1-OG 3.35Å; H667-S669 PolarHBondContact O-N 2.76Å; H667-S669 VanDerWaalsContact O-N 3.09Å; H667-K670 WeakPolarHBondContact O-CA 2.9Å; H667-K670 WeakPolarHBondContact O-CB 2.79Å; H667-K670 PolarHBondContact O-N 3.13Å
668	R	93.7	Very high	96.2	Very high	79 Å²	79	28.2 Å²	28.2	30%	0.298	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-48.3	-42.6	-176.2	-179.1	-179.5	-178.5	-95.1	-3.4	113.2	P666 K670 R671 A736 S737 Y739 G740 K766 G767	P666-R668 PolarHBondContact O-N 3.38Å; R668-K670 PolarHBondContact O-N 2.69Å; R668-K670 VanDerWaalsContact O-N 3.08Å; R668-R671 PolarHBondContact O-N 3.48Å; R668-A736 PolarHBondContact NH2-O 2.77Å; R668-S737 VanDerWaalsContact CD-O 3.26Å; R668-S737 WeakPolarHBondContact CD-O 3.03Å; R668-S737 PolarHBondContact NE-O 3.22Å; R668-S737 VanDerWaalsContact NE-O 3.11Å; R668-Y739 PolarHBondContact NE-O 3.31Å; R668-Y739 PolarHBondContact NH2-O 3.18Å; R668-G740 VanDerWaalsContact O-CA 3.31Å; R668-G740 WeakPolarHBondContact O-CA 3.49Å; R668-G740 PolarHBondContact O-N 3.09Å; R668-K766 PolarHBondContact NH2-O 2.99Å; R668-G767 PolarHBondContact NH1-O 3.38Å; R668-G767 PolarHBondContact NH2-O 3.3Å
669	S	93.5	Very high	95.9	Very high	37 Å²	37	28.3 Å²	28.3	26%	0.259	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-64.5	-11.6	178.9	69.2	0	0	0	0	115.1	H667 T963	H667-S669 PolarHBondContact CE1-OG 2.87Å; H667-S669 PolarHBondContact ND1-N 3.21Å; H667-S669 PolarHBondContact ND1-OG 3.35Å; H667-S669 PolarHBondContact O-N 2.76Å; H667-S669 VanDerWaalsContact O-N 3.09Å; S669-T963 VanDerWaalsContact O-CG2 3.28Å; S669-T963 WeakPolarHBondContact O-CG2 3.49Å
670	K	96.4	Very high	95.3	Very high	72 Å²	72	27.5 Å²	27.5	31%	0.313	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-99.8	-4.4	174.7	-69.3	-62.3	-165.3	172.3	0	113.1	H667 R668 K720 Y722 F723	H667-K670 WeakPolarHBondContact O-CA 2.9Å; H667-K670 WeakPolarHBondContact O-CB 2.79Å; H667-K670 PolarHBondContact O-N 3.13Å; R668-K670 PolarHBondContact O-N 2.69Å; R668-K670 VanDerWaalsContact O-N 3.08Å; K670-K720 PolarHBondContact NZ-O 2.64Å; K670-K720 VanDerWaalsContact NZ-O 3.08Å; K670-Y722 HydrophobicContact CD-CD1 3.97Å; K670-Y722 HydrophobicContact CD-CE1 3.95Å; K670-Y722 CarbonylContact O-C 3.51Å; K670-Y722 WeakPolarHBondContact O-CA 2.84Å; K670-F723 PolarHBondContact O-N 2.94Å
671	R	97.8	Very high	94.4	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.4	-179.6	-62.7	179.4	62.4	-177.7	0.7	109.9	S553 P666 R668 E725 N738 Y739 G740 T741	S553-R671 PolarHBondContact O-NH2 2.88Å; S553-R671 PolarHBondContact OG-NH1 3.23Å; P666-R671 HydrophobicContact CB-CG 4.13Å; R668-R671 PolarHBondContact O-N 3.48Å; R671-E725 IonicContact CZ-OE1 2.65Å; R671-E725 IonicContact NE-OE1 3.03Å; R671-E725 PolarHBondContact NE-OE1 2.94Å; R671-E725 IonicContact NH2-OE1 2.75Å; R671-E725 PolarHBondContact NH2-OE1 3.46Å; R671-E725 IonicContact NH2-OE2 3.42Å; R671-N738 WeakPolarHBondContact CD-O 2.84Å; R671-N738 PolarHBondContact NE-O 3.3Å; R671-N738 PolarHBondContact NH1-O 2.99Å; R671-Y739 HydrophobicContact CB-CD1 4.19Å; R671-G740 PolarHBondContact O-N 2.87Å; R671-G740 VanDerWaalsContact O-N 3.11Å; R671-T741 PolarHBondContact O-N 3Å
672	I	98.3	Very high	93	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.4	177.6	-58.4	176	0	0	0	107.2	L717 Y722 F723 I724 E725 T741 L743 L959	I672-L717 HydrophobicContact CD1-CD1 4.2Å; I672-L717 HydrophobicContact CD1-CD2 4.1Å; I672-Y722 HydrophobicContact CD1-CD1 3.62Å; I672-Y722 HydrophobicContact CD1-CD2 4.38Å; I672-Y722 HydrophobicContact CD1-CE1 4.31Å; I672-Y722 HydrophobicContact CD1-CG 3.67Å; I672-Y722 HydrophobicContact CG1-CD1 3.94Å; I672-Y722 HydrophobicContact CG1-CG 4.37Å; I672-F723 PolarHBondContact N-O 2.78Å; I672-I724 WeakPolarHBondContact O-CA 3.45Å; I672-E725 PolarHBondContact O-N 3.12Å; I672-T741 WeakPolarHBondContact CA-O 3.38Å; I672-L743 HydrophobicContact CG2-CB 3.95Å; I672-L743 HydrophobicContact CG2-CD2 4.19Å; I672-L959 HydrophobicContact CD1-CD1 3.99Å; I672-L959 HydrophobicContact CD1-CD2 3.73Å; I672-L959 HydrophobicContact CG1-CD2 4.28Å
673	L	98	Very high	91.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.7	167.6	-172.6	66.5	0	0	0	107.8	Q555 E725 L727 F734 Y739 T741 F742 L743	Q555-L673 HydrophobicContact CG-CD1 3.96Å; L673-E725 HydrophobicContact CD1-CB 3.96Å; L673-L727 HydrophobicContact CD1-CB 3.89Å; L673-L727 HydrophobicContact CD2-CB 4.36Å; L673-L727 HydrophobicContact CD2-CD2 4.2Å; L673-L727 HydrophobicContact CG-CB 4.05Å; L673-F734 HydrophobicContact CD2-CB 4.23Å; L673-F734 HydrophobicContact CD2-CD1 3.62Å; L673-F734 HydrophobicContact CD2-CD2 3.58Å; L673-F734 HydrophobicContact CD2-CE1 3.76Å; L673-F734 HydrophobicContact CD2-CE2 3.73Å; L673-F734 HydrophobicContact CD2-CG 3.54Å; L673-F734 HydrophobicContact CD2-CZ 3.83Å; L673-Y739 HydrophobicContact CB-CD1 3.74Å; L673-Y739 HydrophobicContact CB-CD2 4.48Å; L673-Y739 HydrophobicContact CB-CE1 4Å; L673-Y739 HydrophobicContact CB-CG 3.99Å; L673-Y739 HydrophobicContact CD1-CE1 3.91Å; L673-Y739 HydrophobicContact CD2-CD2 4.22Å; L673-Y739 HydrophobicContact CD2-CE2 4.11Å; L673-Y739 HydrophobicContact CG-CE1 4.42Å; L673-T741 PolarHBondContact N-O 2.71Å; L673-F742 HydrophobicContact CB-CD2 3.79Å; L673-F742 HydrophobicContact CB-CE2 4.37Å; L673-F742 HydrophobicContact CD2-CD2 3.85Å; L673-F742 HydrophobicContact CD2-CE2 3.88Å; L673-F742 HydrophobicContact CG-CD2 3.83Å; L673-F742 HydrophobicContact CG-CE2 3.91Å; L673-F742 WeakPolarHBondContact O-CA 3.49Å; L673-F742 WeakPolarHBondContact O-CD2 3.05Å; L673-L743 PolarHBondContact O-N 3.12Å
674	F	96.5	Very high	90	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.2	177.9	177	-91.9	0	0	0	108.7	Q676 I706 F710 I724 E725 L727 L743 I745	F674-Q676 HydrophobicContact CD1-CB 4.41Å; F674-Q676 HydrophobicContact CE1-CB 4.37Å; F674-Q676 PolarHBondContact O-N 2.74Å; F674-I706 HydrophobicContact CD1-CB 4.03Å; F674-I706 HydrophobicContact CD1-CG2 4.42Å; F674-I706 HydrophobicContact CD2-CD1 4.21Å; F674-I706 HydrophobicContact CD2-CG1 4.44Å; F674-I706 HydrophobicContact CE1-CB 4.08Å; F674-I706 HydrophobicContact CE2-CD1 4.25Å; F674-I706 HydrophobicContact CG-CB 4.26Å; F674-I706 HydrophobicContact CG-CG1 4.42Å; F674-I706 HydrophobicContact CZ-CB 4.34Å; F674-F710 HydrophobicContact CE2-CD2 4.42Å; F674-F710 HydrophobicContact CZ-CD2 4.06Å; F674-F710 HydrophobicContact CZ-CE2 4.41Å; F674-I724 HydrophobicContact CB-CG2 4.14Å; F674-E725 PolarHBondContact N-O 3.44Å; F674-L727 WeakPolarHBondContact O-CB 3.35Å; F674-L727 PolarHBondContact O-N 2.85Å; F674-L743 HydrophobicContact CD2-CD2 4.18Å; F674-L743 HydrophobicContact CD2-CG 4.33Å; F674-I745 HydrophobicContact CD2-CD1 4.48Å; F674-I745 HydrophobicContact CE2-CB 4.22Å; F674-I745 HydrophobicContact CE2-CD1 4Å; F674-I745 HydrophobicContact CE2-CG1 4.36Å
675	D	95.3	Very high	88.9	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.011	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	109.3	178.2	-171.8	12.3	0	0	0	111	F677 H678 S679 F731 F742 L743 I744	D675-F677 PolarHBondContact OD1-N 3.37Å; D675-H678 VanDerWaalsContact CG-ND1 3.35Å; D675-H678 IonicContact OD1-ND1 3.43Å; D675-H678 PolarHBondContact OD1-ND1 2.85Å; D675-H678 VanDerWaalsContact OD1-ND1 3.15Å; D675-H678 IonicContact OD2-CE1 2.68Å; D675-H678 IonicContact OD2-CG 3.59Å; D675-H678 IonicContact OD2-ND1 3.78Å; D675-H678 PolarHBondContact OD2-ND1 2.8Å; D675-S679 PolarHBondContact O-OG 3.37Å; D675-F731 VanDerWaalsContact OD2-CE1 3.29Å; D675-F731 WeakPolarHBondContact OD2-CE1 3.47Å; D675-F731 WeakPolarHBondContact OD2-CZ 3.27Å; D675-F742 HydrophobicContact CB-CE2 3.88Å; D675-F742 HydrophobicContact CB-CZ 3.8Å; D675-L743 PolarHBondContact N-O 2.8Å; D675-I744 HydrophobicContact CB-CG1 4.16Å
676	Q	92.8	Very high	88	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.			trans	-101.6	-21.6	174.6	-179	63.2	58.6	0	0	112	F674 H678 S679 G703 H705 V726 L727	F674-Q676 HydrophobicContact CD1-CB 4.41Å; F674-Q676 HydrophobicContact CE1-CB 4.37Å; F674-Q676 PolarHBondContact O-N 2.74Å; Q676-H678 PolarHBondContact O-N 2.66Å; Q676-S679 PolarHBondContact O-N 2.97Å; Q676-G703 PolarHBondContact NE2-O 2.97Å; Q676-G703 VanDerWaalsContact NE2-O 3.15Å; Q676-H705 PolarHBondContact OE1-CD2 2.95Å; Q676-V726 HydrophobicContact CB-CG1 3.5Å; Q676-V726 VanDerWaalsContact CB-CG1 3.5Å; Q676-V726 HydrophobicContact CG-CG1 4.01Å; Q676-L727 WeakPolarHBondContact CA-O 3.4Å; Q676-L727 WeakPolarHBondContact CB-O 3.35Å; Q676-L727 PolarHBondContact N-O 3.46Å
677	F	91.8	Very high	87.4	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.018	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-30	-174.5	-177.3	-100.5	0	0	0	111.9	D675 H681 L727 T728 T730 F752 N1006 V1007 S1032	D675-F677 PolarHBondContact OD1-N 3.37Å; F677-H681 PolarHBondContact O-CE1 3.34Å; F677-H681 PolarHBondContact O-NE2 2.88Å; F677-L727 PolarHBondContact N-O 2.98Å; F677-L727 VanDerWaalsContact N-O 3.15Å; F677-T728 WeakPolarHBondContact CD2-O 3.49Å; F677-T730 HydrophobicContact CD1-CG2 4.32Å; F677-T730 HydrophobicContact CE1-CG2 3.72Å; F677-T730 HydrophobicContact CZ-CG2 4.03Å; F677-F752 HydrophobicContact CE1-CE2 4.31Å; F677-N1006 HydrophobicContact CE2-CB 4.39Å; F677-N1006 HydrophobicContact CZ-CB 4.09Å; F677-V1007 HydrophobicContact CE1-CG2 3.98Å; F677-S1032 WeakPolarHBondContact CZ-OG 3.5Å
678	H	93	Very high	86.9	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	3.5	-179.8	-57.6	100.4	0	0	0	114.8	D675 Q676 F731 P747 E748 E749 E750 F751 E755	D675-H678 VanDerWaalsContact CG-ND1 3.35Å; D675-H678 IonicContact OD1-ND1 3.43Å; D675-H678 PolarHBondContact OD1-ND1 2.85Å; D675-H678 VanDerWaalsContact OD1-ND1 3.15Å; D675-H678 IonicContact OD2-CE1 2.68Å; D675-H678 IonicContact OD2-CG 3.59Å; D675-H678 IonicContact OD2-ND1 3.78Å; D675-H678 PolarHBondContact OD2-ND1 2.8Å; Q676-H678 PolarHBondContact O-N 2.66Å; H678-F731 AromaticContact CE1-CD1 3.97Å; H678-F731 AromaticContact CE1-CE1 3.33Å; H678-F731 WeakPolarHBondContact CE1-CE1 3.47Å; H678-F731 AromaticContact CE1-CZ 3.7Å; H678-F731 AromaticContact ND1-CE1 3.47Å; H678-F731 WeakPolarHBondContact ND1-CE1 3.15Å; H678-F731 AromaticContact ND1-CZ 3.79Å; H678-P747 HydrophobicContact CB-CB 4.43Å; H678-P747 WeakPolarHBondContact O-CA 3.48Å; H678-E748 PolarHBondContact O-N 2.99Å; H678-E748 VanDerWaalsContact O-N 3.07Å; H678-E749 HydrophobicContact CB-CB 4.03Å; H678-E749 VanDerWaalsContact O-CB 3.28Å; H678-E749 WeakPolarHBondContact O-CB 3.45Å; H678-E749 PolarHBondContact O-N 3.1Å; H678-E749 VanDerWaalsContact O-N 3.08Å; H678-E750 PolarHBondContact CD2-O 2.92Å; H678-F751 HydrophobicContact CB-CE1 3.8Å; H678-F751 HydrophobicContact CB-CZ 4.17Å; H678-F751 AromaticContact CD2-CD1 3.52Å; H678-F751 AromaticContact CD2-CE1 3.63Å; H678-F751 AromaticContact CE1-CD1 3.63Å; H678-F751 AromaticContact CE1-CE1 3.83Å; H678-F751 AromaticContact CG-CD1 3.76Å; H678-F751 AromaticContact CG-CE1 3.38Å; H678-F751 AromaticContact ND1-CD1 3.84Å; H678-F751 AromaticContact ND1-CE1 3.54Å; H678-F751 AromaticContact NE2-CD1 3.44Å; H678-F751 WeakPolarHBondContact NE2-CD1 3.5Å; H678-F751 AromaticContact NE2-CE1 3.91Å; H678-E755 IonicContact CE1-OE1 3.86Å; H678-E755 PolarHBondContact CE1-OE1 3.39Å; H678-E755 VanDerWaalsContact CE1-OE1 3.29Å; H678-E755 IonicContact CE1-OE2 3.6Å; H678-E755 IonicContact NE2-OE1 3.32Å; H678-E755 IonicContact NE2-OE2 2.84Å; H678-E755 PolarHBondContact NE2-OE2 2.95Å
679	S	90.8	Very high	86.3	Confident	2 Å²	2	13.8 Å²	13.8	1%	0.014	7%	0.074	C	C	.	.	S	Bend	trans	-84.6	165.2	174.4	-63.7	0	0	0	0	111.5	D675 Q676 H681 E748	D675-S679 PolarHBondContact O-OG 3.37Å; Q676-S679 PolarHBondContact O-N 2.97Å; S679-H681 PolarHBondContact O-N 3.37Å; S679-H681 PolarHBondContact O-ND1 3Å; S679-E748 WeakPolarHBondContact CA-OE2 3.5Å
680	I	86	Confident	86.1	Confident	5 Å²	5	12.1 Å²	12.1	3%	0.026	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-47.8	127	-176.8	-169.8	169.3	0	0	0	113.2	I687 D700 G703 D704 E748	I680-I687 HydrophobicContact CB-CD1 4.44Å; I680-I687 HydrophobicContact CD1-CB 3.68Å; I680-I687 HydrophobicContact CD1-CD1 3.61Å; I680-I687 HydrophobicContact CD1-CG1 4.18Å; I680-I687 HydrophobicContact CD1-CG2 3.82Å; I680-I687 HydrophobicContact CG1-CD1 3.52Å; I680-D700 HydrophobicContact CD1-CB 4.14Å; I680-D700 WeakPolarHBondContact CD1-O 3.38Å; I680-G703 VanDerWaalsContact CG2-CA 3.4Å; I680-D704 WeakPolarHBondContact CB-OD2 3.35Å; I680-D704 HydrophobicContact CG2-CB 3.76Å; I680-D704 VanDerWaalsContact CG2-N 3.33Å; I680-D704 WeakPolarHBondContact CG2-OD2 3.39Å; I680-E748 HydrophobicContact CB-CG 4.36Å; I680-E748 PolarHBondContact N-OE2 2.99Å
681	H	77.9	Confident	85.6	Confident	21 Å²	21	9 Å²	9	10%	0.097	5%	0.048	C	C	.	.	P	Polyproline II helix	trans	-91.1	156.1	177.8	-70.9	-28.5	0	0	0	112.4	P387 F677 S679 P683 S684 E749 N1006	P387-H681 HydrophobicContact CG-CB 4.22Å; F677-H681 PolarHBondContact O-CE1 3.34Å; F677-H681 PolarHBondContact O-NE2 2.88Å; S679-H681 PolarHBondContact O-N 3.37Å; S679-H681 PolarHBondContact O-ND1 3Å; H681-P683 CarbonylContact O-C 3.57Å; H681-S684 WeakPolarHBondContact O-CA 3.42Å; H681-S684 WeakPolarHBondContact O-CB 3.01Å; H681-S684 PolarHBondContact O-N 2.01Å; H681-S684 VanDerWaalsContact O-N 3.15Å; H681-E749 IonicContact CD2-OE2 3.17Å; H681-E749 IonicContact NE2-OE2 3.64Å; H681-N1006 PolarHBondContact CD2-ND2 2.94Å; H681-N1006 PolarHBondContact NE2-ND2 3.3Å
682	Y	67.6	Low	85	Confident	31 Å²	31	9.4 Å²	9.4	12%	0.122	5%	0.051	C	C	.	.	S	Bend	trans	-124.6	135.6	178.7	-179.3	-81.6	0	0	0	112.2	F319 W384	F319-Y682 AromaticContact CD1-CZ 3.95Å; F319-Y682 WeakPolarHBondContact CD1-OH 3.38Å; F319-Y682 HydrophobicContact CD2-CE1 4.37Å; F319-Y682 AromaticContact CD2-CE2 3.55Å; F319-Y682 HydrophobicContact CD2-CE2 3.55Å; F319-Y682 AromaticContact CD2-CZ 3.29Å; F319-Y682 WeakPolarHBondContact CD2-OH 3.37Å; F319-Y682 WeakPolarHBondContact CE1-OH 3.37Å; F319-Y682 AromaticContact CE2-CE2 3.57Å; F319-Y682 HydrophobicContact CE2-CE2 3.57Å; F319-Y682 AromaticContact CE2-CZ 3.53Å; F319-Y682 WeakPolarHBondContact CE2-OH 3.38Å; F319-Y682 HydrophobicContact CG-CE1 4.33Å; F319-Y682 HydrophobicContact CG-CE2 4.29Å; F319-Y682 AromaticContact CG-CZ 3.57Å; F319-Y682 WeakPolarHBondContact CG-OH 3.49Å; F319-Y682 HydrophobicContact CZ-CE2 4.33Å; F319-Y682 WeakPolarHBondContact CZ-OH 3.37Å; W384-Y682 AromaticContact CD1-CE1 3.86Å; W384-Y682 AromaticContact CD2-CE1 3.88Å; W384-Y682 HydrophobicContact CD2-CE1 3.88Å; W384-Y682 AromaticContact CE2-CE1 3.92Å; W384-Y682 HydrophobicContact CE3-CE1 4.49Å; W384-Y682 HydrophobicContact CG-CD1 4.41Å; W384-Y682 AromaticContact CG-CE1 3.88Å; W384-Y682 HydrophobicContact CG-CE1 3.88Å; W384-Y682 AromaticContact NE1-CE1 3.86Å
683	P	66.3	Low	84.1	Confident	40 Å²	40	11.3 Å²	11.3	26%	0.26	6%	0.062	S	C	.	.	S	Bend	cis	-68.9	135.5	-5.1	29.8	-34.9	0	0	0	111.3	L320 H681	L320-P683 HydrophobicContact CD1-CB 4.31Å; L320-P683 HydrophobicContact CD2-CB 3.5Å; L320-P683 HydrophobicContact CD2-CG 3.42Å; L320-P683 VanDerWaalsContact CD2-CG 3.42Å; L320-P683 HydrophobicContact CG-CB 3.79Å; L320-P683 HydrophobicContact CG-CG 4.27Å; H681-P683 CarbonylContact O-C 3.57Å
684	S	67.6	Low	83	Confident	23 Å²	23	16.4 Å²	16.4	16%	0.161	8%	0.082	C	C	.	.			trans	-79.3	161	-178.7	43.2	0	0	0	0	112.1	H681	H681-S684 WeakPolarHBondContact O-CA 3.42Å; H681-S684 WeakPolarHBondContact O-CB 3.01Å; H681-S684 PolarHBondContact O-N 2.01Å; H681-S684 VanDerWaalsContact O-N 3.15Å
685	G	73.3	Confident	81.4	Confident	6 Å²	6	19.4 Å²	19.4	6%	0.062	10%	0.1	C	C	.	.			trans	-71	-164.2	157.2	0	0	0	0	0	111.4	I687 D799 Y1004	G685-I687 PolarHBondContact O-N 3.04Å; G685-D799 WeakPolarHBondContact CA-OD2 3.44Å; G685-Y1004 VanDerWaalsContact CA-CE2 3.43Å
686	F	78.4	Confident	79.6	Confident	6 Å²	6	27.3 Å²	27.3	3%	0.026	13%	0.134	C	C	.	.	S	Bend	trans	-78.4	95	171.1	174.6	-155.9	0	0	0	108.9	P688 L699 F787 W796 T797 P798 D799	F686-P688 HydrophobicContact CE2-CB 4.33Å; F686-P688 HydrophobicContact CE2-CG 4.23Å; F686-P688 HydrophobicContact CZ-CG 4.45Å; F686-L699 HydrophobicContact CD2-CD2 3.19Å; F686-L699 HydrophobicContact CE2-CD2 3.6Å; F686-L699 HydrophobicContact CG-CD2 4.26Å; F686-F787 AromaticContact CD1-CE1 3.94Å; F686-F787 HydrophobicContact CD1-CE1 3.94Å; F686-F787 HydrophobicContact CD2-CE1 4.3Å; F686-F787 AromaticContact CE1-CD1 3.67Å; F686-F787 HydrophobicContact CE1-CD1 3.67Å; F686-F787 AromaticContact CE1-CE1 3.44Å; F686-F787 HydrophobicContact CE1-CE1 3.44Å; F686-F787 VanDerWaalsContact CE1-CE1 3.44Å; F686-F787 AromaticContact CE2-CE1 3.86Å; F686-F787 HydrophobicContact CE2-CE1 3.86Å; F686-F787 HydrophobicContact CG-CE1 4.34Å; F686-F787 AromaticContact CZ-CD1 3.71Å; F686-F787 HydrophobicContact CZ-CD1 3.71Å; F686-F787 AromaticContact CZ-CE1 3.4Å; F686-F787 HydrophobicContact CZ-CE1 3.4Å; F686-F787 VanDerWaalsContact CZ-CE1 3.4Å; F686-W796 HydrophobicContact CB-CB 4.5Å; F686-W796 HydrophobicContact CB-CD2 4.36Å; F686-W796 HydrophobicContact CB-CE3 3.5Å; F686-W796 HydrophobicContact CB-CZ3 4.09Å; F686-W796 HydrophobicContact CD1-CB 3.61Å; F686-W796 HydrophobicContact CE1-CB 4.17Å; F686-W796 HydrophobicContact CG-CB 4.32Å; F686-W796 HydrophobicContact CG-CE3 4.47Å; F686-T797 VanDerWaalsContact CD1-C 3.43Å; F686-P798 HydrophobicContact CD1-CB 4.38Å; F686-P798 HydrophobicContact CD1-CG 3.99Å; F686-P798 VanDerWaalsContact CD1-N 3.29Å; F686-P798 HydrophobicContact CE1-CB 4.37Å; F686-P798 VanDerWaalsContact CE1-CD 3.46Å; F686-P798 HydrophobicContact CE1-CG 3.53Å; F686-P798 HydrophobicContact CZ-CG 3.9Å; F686-P798 CarbonylContact O-C 3.25Å; F686-P798 VanDerWaalsContact O-CA 3.32Å; F686-P798 WeakPolarHBondContact O-CA 3.18Å; F686-D799 PolarHBondContact N-OD2 2.81Å; F686-D799 PolarHBondContact O-N 3.13Å
687	I	85.1	Confident	78.1	Confident	9 Å²	9	31.8 Å²	31.8	5%	0.046	16%	0.155	C	C	.	.			trans	-106.3	117.3	171.1	-62.4	172.4	0	0	0	107.2	I680 G685 L699 D700 E748 T800	I680-I687 HydrophobicContact CB-CD1 4.44Å; I680-I687 HydrophobicContact CD1-CB 3.68Å; I680-I687 HydrophobicContact CD1-CD1 3.61Å; I680-I687 HydrophobicContact CD1-CG1 4.18Å; I680-I687 HydrophobicContact CD1-CG2 3.82Å; I680-I687 HydrophobicContact CG1-CD1 3.52Å; G685-I687 PolarHBondContact O-N 3.04Å; I687-L699 WeakPolarHBondContact O-CA 3.12Å; I687-D700 PolarHBondContact O-N 3.32Å; I687-E748 HydrophobicContact CD1-CB 4.36Å; I687-E748 HydrophobicContact CD1-CG 4.47Å; I687-E748 HydrophobicContact CG2-CG 4.07Å; I687-T800 HydrophobicContact CD1-CG2 4.45Å; I687-T800 HydrophobicContact CG1-CG2 4.13Å; I687-T800 HydrophobicContact CG2-CG2 4.27Å
688	P	84.6	Confident	76.8	Confident	4 Å²	4	34.8 Å²	34.8	3%	0.026	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-71	164.7	-179.1	-9.9	26.1	0	0	0	111.1	F686 P698 W776 L785 P798 T800	F686-P688 HydrophobicContact CE2-CB 4.33Å; F686-P688 HydrophobicContact CE2-CG 4.23Å; F686-P688 HydrophobicContact CZ-CG 4.45Å; P688-P698 CarbonylContact C-O 3.46Å; P688-P698 WeakPolarHBondContact CA-O 3.48Å; P688-W776 HydrophobicContact CB-CH2 4.4Å; P688-W776 HydrophobicContact CB-CZ2 3.92Å; P688-W776 HydrophobicContact CG-CH2 4.07Å; P688-W776 HydrophobicContact CG-CZ2 4.03Å; P688-L785 HydrophobicContact CB-CD1 4.44Å; P688-P798 HydrophobicContact CG-CB 3.48Å; P688-P798 VanDerWaalsContact CG-CB 3.48Å; P688-P798 HydrophobicContact CG-CG 3.6Å; P688-T800 WeakPolarHBondContact CD-O 3.22Å
689	R	82.4	Confident	75.9	Confident	22 Å²	22	38 Å²	38	8%	0.083	19%	0.192	C	C	.	.			trans	-66.8	155.5	167.1	-71.4	-86.1	-83	-79.5	-2.8	112	E697 P698 L699 W776	R689-E697 WeakPolarHBondContact CG-O 3.4Å; R689-E697 IonicContact CZ-OE2 2.72Å; R689-E697 VanDerWaalsContact NH1-CB 3.31Å; R689-E697 IonicContact NH1-OE2 3.87Å; R689-E697 PolarHBondContact NH1-OE2 3.4Å; R689-E697 IonicContact NH2-OE2 2.86Å; R689-E697 PolarHBondContact NH2-OE2 3.44Å; R689-E697 VanDerWaalsContact NH2-OE2 3.13Å; R689-P698 PolarHBondContact N-O 3.21Å; R689-L699 VanDerWaalsContact CD-O 3.28Å; R689-L699 WeakPolarHBondContact CD-O 3.45Å; R689-L699 VanDerWaalsContact CG-C 3.47Å; R689-L699 VanDerWaalsContact CG-O 3.26Å; R689-L699 WeakPolarHBondContact CG-O 3.47Å; R689-W776 PolarHBondContact O-NE1 2.87Å
690	D	87.6	Confident	75.3	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.011	19%	0.193	C	C	.	.	S	Bend	trans	-65.4	-56.8	175	-50.6	-27.4	0	0	0	110.7	L692 W776 S839 D940	D690-L692 PolarHBondContact O-N 3.12Å; D690-W776 PolarHBondContact O-NE1 3.21Å; D690-S839 VanDerWaalsContact O-CB 3.28Å; D690-S839 WeakPolarHBondContact O-CB 3.4Å; D690-D940 VanDerWaalsContact CB-OD1 3.29Å; D690-D940 WeakPolarHBondContact CB-OD1 3.37Å
691	D	87.1	Confident	74.6	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.032	20%	0.204	C	C	.	.			trans	-74.7	90.2	178.9	-170.9	3.9	0	0	0	113.7	T693 R694 H838 D940 H946	D691-T693 VanDerWaalsContact CG-OG1 3.27Å; D691-T693 PolarHBondContact O-N 2.55Å; D691-T693 VanDerWaalsContact OD1-CB 3.3Å; D691-T693 WeakPolarHBondContact OD1-CB 3.44Å; D691-T693 WeakPolarHBondContact OD1-CG2 3.43Å; D691-T693 PolarHBondContact OD1-N 2.84Å; D691-T693 PolarHBondContact OD1-OG1 3.05Å; D691-T693 PolarHBondContact OD2-OG1 2.99Å; D691-R694 PolarHBondContact O-N 2.82Å; D691-R694 VanDerWaalsContact O-N 3.11Å; D691-H838 HydrophobicContact CB-CB 4.25Å; D691-H838 IonicContact OD1-ND1 3.55Å; D691-H838 IonicContact OD2-ND1 3.33Å; D691-H838 PolarHBondContact OD2-ND1 3.36Å; D691-D940 VanDerWaalsContact CA-OD2 3.28Å; D691-D940 WeakPolarHBondContact CA-OD2 3.22Å; D691-D940 VanDerWaalsContact CB-OD2 3.28Å; D691-D940 WeakPolarHBondContact CB-OD2 3.28Å; D691-D940 PolarHBondContact N-OD2 3.32Å; D691-H946 WeakPolarHBondContact CB-CE1 3.35Å; D691-H946 IonicContact OD2-CE1 2.67Å; D691-H946 PolarHBondContact OD2-CE1 2.83Å; D691-H946 IonicContact OD2-ND1 3.66Å
692	L	84.6	Confident	74.6	Confident	13 Å²	13	40.7 Å²	40.7	7%	0.068	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.7	174.3	-61.3	-179.6	0	0	0	114.5	D690 R694 W776 V781 L785 V823 S839 I868 F872	D690-L692 PolarHBondContact O-N 3.12Å; L692-R694 PolarHBondContact O-N 3.25Å; L692-W776 HydrophobicContact CD1-CD2 4Å; L692-W776 HydrophobicContact CD1-CE3 4.32Å; L692-W776 HydrophobicContact CD1-CG 4.29Å; L692-W776 HydrophobicContact CD2-CD2 4.36Å; L692-W776 HydrophobicContact CD2-CH2 4.16Å; L692-W776 HydrophobicContact CD2-CZ2 3.53Å; L692-W776 HydrophobicContact CG-CD2 4.31Å; L692-W776 HydrophobicContact CG-CZ2 4.32Å; L692-V781 HydrophobicContact CD1-CG1 3.76Å; L692-L785 HydrophobicContact CD2-CD1 3.57Å; L692-L785 HydrophobicContact CD2-CD2 4.3Å; L692-V823 HydrophobicContact CD1-CG1 3.96Å; L692-S839 WeakPolarHBondContact CB-OG 3.42Å; L692-S839 PolarHBondContact N-OG 3.48Å; L692-I868 HydrophobicContact CB-CD1 4.35Å; L692-I868 HydrophobicContact CD1-CD1 4.48Å; L692-F872 HydrophobicContact CB-CE2 3.7Å; L692-F872 HydrophobicContact CB-CZ 3.95Å; L692-F872 HydrophobicContact CD1-CD2 4.47Å; L692-F872 HydrophobicContact CD1-CE2 4.37Å; L692-F872 VanDerWaalsContact O-CZ 3.24Å; L692-F872 WeakPolarHBondContact O-CZ 3.42Å
693	T	79.2	Confident	75.2	Confident	40 Å²	40	39.4 Å²	39.4	25%	0.245	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.2	179.5	74.5	0	0	0	0	112.9	D691 L901 L903	D691-T693 VanDerWaalsContact CG-OG1 3.27Å; D691-T693 PolarHBondContact O-N 2.55Å; D691-T693 VanDerWaalsContact OD1-CB 3.3Å; D691-T693 WeakPolarHBondContact OD1-CB 3.44Å; D691-T693 WeakPolarHBondContact OD1-CG2 3.43Å; D691-T693 PolarHBondContact OD1-N 2.84Å; D691-T693 PolarHBondContact OD1-OG1 3.05Å; D691-T693 PolarHBondContact OD2-OG1 2.99Å; T693-L901 HydrophobicContact CG2-CD1 4.37Å; T693-L903 HydrophobicContact CG2-CD1 4.2Å; T693-L903 HydrophobicContact CG2-CD2 3.66Å
694	R	74.4	Confident	76.3	Confident	108 Å²	108	37.6 Å²	37.6	41%	0.408	19%	0.187	S	C	.	.			trans	-101.5	103	178	-66.4	179	60.7	118.7	0.1	111.9	D691 L692 E697	D691-R694 PolarHBondContact O-N 2.82Å; D691-R694 VanDerWaalsContact O-N 3.11Å; L692-R694 PolarHBondContact O-N 3.25Å; R694-E697 IonicContact NH2-OE2 2.76Å; R694-E697 PolarHBondContact NH2-OE2 3.25Å
695	T	63.4	Low	77.5	Confident	62 Å²	62	36.5 Å²	36.5	38%	0.38	18%	0.179	S	C	.	.			trans	-83.1	-17.5	-174.7	45.4	0	0	0	0	115.7	E898	T695-E898 HydrophobicContact CG2-CB 4.29Å; T695-E898 HydrophobicContact CG2-CG 4.01Å; T695-E898 WeakPolarHBondContact OG1-CG 3.25Å; T695-E898 PolarHBondContact OG1-OE1 3.42Å
696	K	58.2	Low	78.4	Confident	169 Å²	169	36.2 Å²	36.2	74%	0.735	18%	0.176	S	C	*	.	S	Bend	trans	-84.7	-19.4	-169.2	-65.2	-175	-179.5	179.7	0	115.3
697	E	61.1	Low	79.1	Confident	93 Å²	93	36.1 Å²	36.1	44%	0.435	18%	0.176	S	C	.	.			trans	-135.3	96.1	-176.7	-68.7	167.7	-174	0	0	108.6	R689 R694 L699	R689-E697 WeakPolarHBondContact CG-O 3.4Å; R689-E697 IonicContact CZ-OE2 2.72Å; R689-E697 VanDerWaalsContact NH1-CB 3.31Å; R689-E697 IonicContact NH1-OE2 3.87Å; R689-E697 PolarHBondContact NH1-OE2 3.4Å; R689-E697 IonicContact NH2-OE2 2.86Å; R689-E697 PolarHBondContact NH2-OE2 3.44Å; R689-E697 VanDerWaalsContact NH2-OE2 3.13Å; R694-E697 IonicContact NH2-OE2 2.76Å; R694-E697 PolarHBondContact NH2-OE2 3.25Å; E697-L699 PolarHBondContact O-N 2.71Å
698	P	63.2	Low	79.3	Confident	67 Å²	67	35.7 Å²	35.7	44%	0.435	17%	0.174	S	C	.	.			trans	-82.3	-14.4	-165.5	28.4	-33.6	0	0	0	115.2	P688 R689	P688-P698 CarbonylContact C-O 3.46Å; P688-P698 WeakPolarHBondContact CA-O 3.48Å; R689-P698 PolarHBondContact N-O 3.21Å
699	L	74.6	Confident	79.4	Confident	69 Å²	69	35.6 Å²	35.6	36%	0.361	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-107.3	138.7	-167.5	-65.5	171.7	0	0	0	112.8	F686 I687 R689 E697	F686-L699 HydrophobicContact CD2-CD2 3.19Å; F686-L699 HydrophobicContact CE2-CD2 3.6Å; F686-L699 HydrophobicContact CG-CD2 4.26Å; I687-L699 WeakPolarHBondContact O-CA 3.12Å; R689-L699 VanDerWaalsContact CD-O 3.28Å; R689-L699 WeakPolarHBondContact CD-O 3.45Å; R689-L699 VanDerWaalsContact CG-C 3.47Å; R689-L699 VanDerWaalsContact CG-O 3.26Å; R689-L699 WeakPolarHBondContact CG-O 3.47Å; E697-L699 PolarHBondContact O-N 2.71Å
700	D	78.7	Confident	79.8	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.037	17%	0.169	C	C	.	.			trans	-84.5	119.8	157.4	-151.6	-45	0	0	0	109.5	I680 I687 L702	I680-D700 HydrophobicContact CD1-CB 4.14Å; I680-D700 WeakPolarHBondContact CD1-O 3.38Å; I687-D700 PolarHBondContact O-N 3.32Å; D700-L702 PolarHBondContact OD1-N 2.83Å
701	W	72.2	Confident	80	Confident	65 Å²	65	35.8 Å²	35.8	25%	0.246	18%	0.175	C	C	.	.			trans	-137.1	6.5	-174.1	62.9	-82.6	0	0	0	112.8	D345 T351 G703	D345-W701 HydrophobicContact CB-CH2 3.94Å; D345-W701 HydrophobicContact CB-CZ2 4.33Å; T351-W701 HydrophobicContact CG2-CH2 4.04Å; W701-G703 VanDerWaalsContact C-N 3.33Å
702	L	77.5	Confident	80.2	Confident	12 Å²	12	37.9 Å²	37.9	6%	0.063	19%	0.186	C	C	.	.	S	Bend	trans	-89.2	0.9	-176.8	-65.4	-179.3	0	0	0	113.3	L348 T351 D700 T708 N709 T945	L348-L702 HydrophobicContact CD1-CD1 3.96Å; T351-L702 HydrophobicContact CG2-CD2 3.75Å; D700-L702 PolarHBondContact OD1-N 2.83Å; L702-T708 WeakPolarHBondContact O-CB 3.47Å; L702-T708 PolarHBondContact O-OG1 3.34Å; L702-N709 HydrophobicContact CB-CB 3.8Å; L702-N709 HydrophobicContact CD1-CB 4.26Å; L702-T945 HydrophobicContact CD1-CG2 3.6Å
703	G	79.9	Confident	80.7	Confident	5 Å²	5	37.2 Å²	37.2	5%	0.052	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	4.5	168.6	0	0	0	0	0	115.3	Q676 I680 W701 H705	Q676-G703 PolarHBondContact NE2-O 2.97Å; Q676-G703 VanDerWaalsContact NE2-O 3.15Å; I680-G703 VanDerWaalsContact CG2-CA 3.4Å; W701-G703 VanDerWaalsContact C-N 3.33Å; G703-H705 PolarHBondContact O-N 3.37Å
704	D	88.8	Confident	81.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	44	31.9	-175.3	-56.7	-32.9	0	0	0	116.4	I680 N709 F710	I680-D704 WeakPolarHBondContact CB-OD2 3.35Å; I680-D704 HydrophobicContact CG2-CB 3.76Å; I680-D704 VanDerWaalsContact CG2-N 3.33Å; I680-D704 WeakPolarHBondContact CG2-OD2 3.39Å; D704-N709 VanDerWaalsContact CA-CG 3.41Å; D704-N709 WeakPolarHBondContact CA-ND2 3.02Å; D704-N709 VanDerWaalsContact CA-OD1 3.23Å; D704-N709 WeakPolarHBondContact CA-OD1 3.34Å; D704-N709 PolarHBondContact OD1-ND2 3.34Å; D704-F710 HydrophobicContact CB-CE2 4.03Å
705	H	92.2	Very high	82.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.			trans	-90.4	139.1	-176	-162.3	-60.3	0	0	0	112.5	L386 G389 Q676 G703 H707 T708 N709 F710	L386-H705 HydrophobicContact CD1-CB 4.34Å; L386-H705 HydrophobicContact CD2-CB 4.29Å; G389-H705 PolarHBondContact O-CD2 3.43Å; G389-H705 PolarHBondContact O-NE2 2.88Å; Q676-H705 PolarHBondContact OE1-CD2 2.95Å; G703-H705 PolarHBondContact O-N 3.37Å; H705-H707 AromaticContact CE1-CE1 3.89Å; H705-H707 AromaticContact CE1-CG 3.89Å; H705-H707 AromaticContact CE1-ND1 3.11Å; H705-H707 PolarHBondContact CE1-ND1 3.2Å; H705-H707 AromaticContact ND1-CG 3.82Å; H705-H707 PolarHBondContact ND1-N 2.95Å; H705-H707 AromaticContact ND1-ND1 3.5Å; H705-H707 PolarHBondContact ND1-ND1 3.47Å; H705-H707 PolarHBondContact O-N 3.41Å; H705-T708 HydrophobicContact CB-CG2 4.44Å; H705-T708 WeakPolarHBondContact CB-OG1 3.41Å; H705-T708 PolarHBondContact N-OG1 3.38Å; H705-T708 PolarHBondContact O-N 3.49Å; H705-T708 PolarHBondContact O-OG1 2.99Å; H705-N709 PolarHBondContact N-OD1 3.44Å; H705-N709 PolarHBondContact O-N 3.44Å; H705-N709 PolarHBondContact O-OD1 2.86Å; H705-F710 PolarHBondContact O-N 3.31Å
706	I	93.4	Very high	83.9	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-10.1	174.3	-157	51.1	0	0	0	115.3	F674 F710 L713 Y714 I724 V726	F674-I706 HydrophobicContact CD1-CB 4.03Å; F674-I706 HydrophobicContact CD1-CG2 4.42Å; F674-I706 HydrophobicContact CD2-CD1 4.21Å; F674-I706 HydrophobicContact CD2-CG1 4.44Å; F674-I706 HydrophobicContact CE1-CB 4.08Å; F674-I706 HydrophobicContact CE2-CD1 4.25Å; F674-I706 HydrophobicContact CG-CB 4.26Å; F674-I706 HydrophobicContact CG-CG1 4.42Å; F674-I706 HydrophobicContact CZ-CB 4.34Å; I706-F710 HydrophobicContact CD1-CB 3.9Å; I706-F710 CarbonylContact O-C 3.31Å; I706-L713 HydrophobicContact CD1-CD2 3.84Å; I706-L713 HydrophobicContact CD1-CG 3.98Å; I706-Y714 HydrophobicContact CG1-CD2 3.95Å; I706-Y714 HydrophobicContact CG1-CG 4.41Å; I706-Y714 WeakPolarHBondContact O-CB 3.28Å; I706-I724 HydrophobicContact CG1-CG2 4.16Å; I706-V726 HydrophobicContact CG2-CG2 3.69Å
707	H	92.7	Very high	85.7	Confident	5 Å²	5	23 Å²	23	2%	0.023	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	1.3	-180	-59.4	127.5	0	0	0	112.7	F349 M381 Y390 W543 H705 Y714	F349-H707 WeakPolarHBondContact CB-O 3.28Å; M381-H707 HydrophobicContact CE-CB 3.74Å; Y390-H707 AromaticContact CE1-CE1 3.49Å; Y390-H707 VanDerWaalsContact CE1-CE1 3.49Å; Y390-H707 WeakPolarHBondContact CE1-CE1 3.44Å; Y390-H707 AromaticContact CE1-ND1 3.71Å; W543-H707 HydrophobicContact CH2-CB 3.75Å; W543-H707 WeakPolarHBondContact CH2-O 3.43Å; W543-H707 HydrophobicContact CZ2-CB 4.21Å; W543-H707 AromaticContact CZ2-CD2 3.93Å; H705-H707 AromaticContact CE1-CE1 3.89Å; H705-H707 AromaticContact CE1-CG 3.89Å; H705-H707 AromaticContact CE1-ND1 3.11Å; H705-H707 PolarHBondContact CE1-ND1 3.2Å; H705-H707 AromaticContact ND1-CG 3.82Å; H705-H707 PolarHBondContact ND1-N 2.95Å; H705-H707 AromaticContact ND1-ND1 3.5Å; H705-H707 PolarHBondContact ND1-ND1 3.47Å; H705-H707 PolarHBondContact O-N 3.41Å; H707-Y714 AromaticContact NE2-CD2 3.85Å; H707-Y714 AromaticContact NE2-CE2 3.54Å; H707-Y714 AromaticContact NE2-CZ 3.75Å
708	T	90	Very high	87.4	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-91.2	177.3	56.3	0	0	0	0	109.9	F349 L386 L702 H705 F710 L711	F349-T708 HydrophobicContact CB-CG2 4.27Å; F349-T708 WeakPolarHBondContact O-CB 3.44Å; L386-T708 HydrophobicContact CD1-CG2 4.24Å; L702-T708 WeakPolarHBondContact O-CB 3.47Å; L702-T708 PolarHBondContact O-OG1 3.34Å; H705-T708 HydrophobicContact CB-CG2 4.44Å; H705-T708 WeakPolarHBondContact CB-OG1 3.41Å; H705-T708 PolarHBondContact N-OG1 3.38Å; H705-T708 PolarHBondContact O-N 3.49Å; H705-T708 PolarHBondContact O-OG1 2.99Å; T708-F710 VanDerWaalsContact C-N 3.31Å; T708-F710 PolarHBondContact O-N 3.18Å; T708-L711 WeakPolarHBondContact O-CB 3.27Å; T708-L711 PolarHBondContact O-N 3.19Å
709	N	85.6	Confident	88.9	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.8	-179.8	77.9	-39.2	0	0	0	111.8	L702 D704 H705 S944	L702-N709 HydrophobicContact CB-CB 3.8Å; L702-N709 HydrophobicContact CD1-CB 4.26Å; D704-N709 VanDerWaalsContact CA-CG 3.41Å; D704-N709 WeakPolarHBondContact CA-ND2 3.02Å; D704-N709 VanDerWaalsContact CA-OD1 3.23Å; D704-N709 WeakPolarHBondContact CA-OD1 3.34Å; D704-N709 PolarHBondContact OD1-ND2 3.34Å; H705-N709 PolarHBondContact N-OD1 3.44Å; H705-N709 PolarHBondContact O-N 3.44Å; H705-N709 PolarHBondContact O-OD1 2.86Å; N709-S944 WeakPolarHBondContact O-CA 3.48Å; N709-S944 WeakPolarHBondContact O-CB 3.4Å; N709-S944 PolarHBondContact O-N 3.44Å; N709-S944 PolarHBondContact O-OG 2.91Å
710	F	91.9	Very high	89.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	23.9	-179	-65.1	-54.8	0	0	0	113	F674 D704 H705 I706 T708 D712 L713 Y714 I745 D746 L942	F674-F710 HydrophobicContact CE2-CD2 4.42Å; F674-F710 HydrophobicContact CZ-CD2 4.06Å; F674-F710 HydrophobicContact CZ-CE2 4.41Å; D704-F710 HydrophobicContact CB-CE2 4.03Å; H705-F710 PolarHBondContact O-N 3.31Å; I706-F710 HydrophobicContact CD1-CB 3.9Å; I706-F710 CarbonylContact O-C 3.31Å; T708-F710 VanDerWaalsContact C-N 3.31Å; T708-F710 PolarHBondContact O-N 3.18Å; F710-D712 VanDerWaalsContact C-N 3.34Å; F710-D712 PolarHBondContact O-N 2.76Å; F710-L713 HydrophobicContact CB-CB 4.27Å; F710-L713 HydrophobicContact CB-CD2 4.23Å; F710-L713 HydrophobicContact CD1-CD2 4.4Å; F710-L713 HydrophobicContact CG-CD2 4.42Å; F710-L713 WeakPolarHBondContact O-CB 3.09Å; F710-L713 PolarHBondContact O-N 3.28Å; F710-Y714 PolarHBondContact O-N 2.81Å; F710-I745 HydrophobicContact CE1-CG2 3.79Å; F710-I745 HydrophobicContact CE2-CB 4.41Å; F710-I745 HydrophobicContact CE2-CG2 3.85Å; F710-I745 HydrophobicContact CZ-CB 4.37Å; F710-I745 HydrophobicContact CZ-CG2 3.36Å; F710-D746 HydrophobicContact CZ-CB 4.41Å; F710-L942 HydrophobicContact CD1-CB 4.29Å; F710-L942 HydrophobicContact CE1-CB 4.26Å
711	L	91.5	Very high	90.7	Very high	28 Å²	28	31.7 Å²	31.7	15%	0.147	15%	0.148	C	C	.	.	H	α-helix	trans	-56.9	-42.6	179.3	174.4	59.5	0	0	0	113.5	F349 W543 T708 L713 Y714 T715 S944	F349-L711 HydrophobicContact CD2-CD2 3.35Å; F349-L711 HydrophobicContact CE2-CD2 3.55Å; F349-L711 HydrophobicContact CG-CD2 4.25Å; W543-L711 HydrophobicContact CH2-CD1 3.62Å; W543-L711 HydrophobicContact CZ2-CD1 3.18Å; T708-L711 WeakPolarHBondContact O-CB 3.27Å; T708-L711 PolarHBondContact O-N 3.19Å; L711-L713 VanDerWaalsContact C-N 3.32Å; L711-Y714 WeakPolarHBondContact O-CB 3.13Å; L711-Y714 PolarHBondContact O-N 3.24Å; L711-T715 WeakPolarHBondContact O-CB 3.22Å; L711-T715 PolarHBondContact O-N 2.86Å; L711-T715 PolarHBondContact O-OG1 3.15Å; L711-S944 PolarHBondContact N-OG 3.42Å
712	D	91.1	Very high	91.9	Very high	50 Å²	50	29.4 Å²	29.4	27%	0.267	14%	0.139	S	C	.	.	H	α-helix	trans	-67.8	-36.5	-179.8	-74.4	-52	0	0	0	111.7	F710 T715 H716 S944 L947 F952	F710-D712 VanDerWaalsContact C-N 3.34Å; F710-D712 PolarHBondContact O-N 2.76Å; D712-T715 PolarHBondContact O-N 3.44Å; D712-H716 WeakPolarHBondContact O-CB 3.02Å; D712-H716 PolarHBondContact O-N 2.96Å; D712-S944 PolarHBondContact N-OG 3.35Å; D712-S944 VanDerWaalsContact N-OG 3.11Å; D712-S944 VanDerWaalsContact OD2-CB 3.29Å; D712-S944 WeakPolarHBondContact OD2-CB 3.44Å; D712-S944 PolarHBondContact OD2-OG 2.86Å; D712-L947 HydrophobicContact CB-CD2 4.17Å; D712-L947 WeakPolarHBondContact OD2-CD1 3.47Å; D712-L947 WeakPolarHBondContact OD2-CD2 3.43Å; D712-F952 HydrophobicContact CB-CE2 4.08Å; D712-F952 HydrophobicContact CB-CZ 3.65Å
713	L	94.7	Very high	92.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-52.2	169.9	165.2	62.2	0	0	0	110.8	I706 F710 L711 T715 H716 L717 I745 L942 F952 L955	I706-L713 HydrophobicContact CD1-CD2 3.84Å; I706-L713 HydrophobicContact CD1-CG 3.98Å; F710-L713 HydrophobicContact CB-CB 4.27Å; F710-L713 HydrophobicContact CB-CD2 4.23Å; F710-L713 HydrophobicContact CD1-CD2 4.4Å; F710-L713 HydrophobicContact CG-CD2 4.42Å; F710-L713 WeakPolarHBondContact O-CB 3.09Å; F710-L713 PolarHBondContact O-N 3.28Å; L711-L713 VanDerWaalsContact C-N 3.32Å; L713-T715 VanDerWaalsContact C-N 3.31Å; L713-T715 PolarHBondContact O-N 3.32Å; L713-H716 WeakPolarHBondContact O-CB 3.12Å; L713-H716 PolarHBondContact O-N 3.27Å; L713-L717 HydrophobicContact CD1-CD1 3.81Å; L713-L717 HydrophobicContact CD1-CD2 4.47Å; L713-L717 HydrophobicContact CD1-CG 3.89Å; L713-L717 HydrophobicContact CG-CD1 4.16Å; L713-L717 WeakPolarHBondContact O-CG 2.79Å; L713-L717 PolarHBondContact O-N 2.84Å; L713-I745 HydrophobicContact CD2-CD1 3.49Å; L713-I745 VanDerWaalsContact CD2-CD1 3.49Å; L713-L942 HydrophobicContact CD1-CD2 4.43Å; L713-L942 HydrophobicContact CD2-CB 4.33Å; L713-L942 HydrophobicContact CD2-CD1 4.26Å; L713-F952 HydrophobicContact CB-CE1 3.96Å; L713-F952 HydrophobicContact CD1-CD1 4.43Å; L713-L955 HydrophobicContact CD1-CD2 3.17Å
714	Y	95.6	Very high	93.7	Very high	6 Å²	6	30.4 Å²	30.4	2%	0.024	14%	0.142	C	C	.	.	H	α-helix	trans	-55.1	-48.2	176.9	176.6	-98.1	0	0	0	112	S547 I706 H707 F710 L711 H716 L717 R718 I724	S547-Y714 WeakPolarHBondContact CB-OH 3.46Å; S547-Y714 WeakPolarHBondContact OG-CE1 2.85Å; S547-Y714 PolarHBondContact OG-OH 3.23Å; I706-Y714 HydrophobicContact CG1-CD2 3.95Å; I706-Y714 HydrophobicContact CG1-CG 4.41Å; I706-Y714 WeakPolarHBondContact O-CB 3.28Å; H707-Y714 AromaticContact NE2-CD2 3.85Å; H707-Y714 AromaticContact NE2-CE2 3.54Å; H707-Y714 AromaticContact NE2-CZ 3.75Å; F710-Y714 PolarHBondContact O-N 2.81Å; L711-Y714 WeakPolarHBondContact O-CB 3.13Å; L711-Y714 PolarHBondContact O-N 3.24Å; Y714-H716 VanDerWaalsContact C-N 3.31Å; Y714-H716 PolarHBondContact O-N 2.98Å; Y714-L717 PolarHBondContact O-N 3.36Å; Y714-R718 HydrophobicContact CD1-CG 4.08Å; Y714-R718 HydrophobicContact CD2-CG 4.34Å; Y714-R718 HydrophobicContact CE1-CG 3.6Å; Y714-R718 HydrophobicContact CE2-CG 3.92Å; Y714-R718 HydrophobicContact CG-CG 4.42Å; Y714-R718 WeakPolarHBondContact O-CB 3.08Å; Y714-R718 WeakPolarHBondContact O-CG 2.78Å; Y714-R718 PolarHBondContact O-N 3.23Å; Y714-I724 HydrophobicContact CD2-CB 4.2Å; Y714-I724 HydrophobicContact CD2-CD1 4.04Å; Y714-I724 HydrophobicContact CD2-CG1 4.36Å; Y714-I724 HydrophobicContact CE2-CB 4.08Å; Y714-I724 HydrophobicContact CE2-CD1 4Å; Y714-I724 HydrophobicContact CE2-CG1 4.49Å
715	T	92.8	Very high	94	Very high	40 Å²	40	30.6 Å²	30.6	25%	0.245	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-42.9	-179.7	-61.3	0	0	0	0	111.1	L711 D712 L713 R719	L711-T715 WeakPolarHBondContact O-CB 3.22Å; L711-T715 PolarHBondContact O-N 2.86Å; L711-T715 PolarHBondContact O-OG1 3.15Å; D712-T715 PolarHBondContact O-N 3.44Å; L713-T715 VanDerWaalsContact C-N 3.31Å; L713-T715 PolarHBondContact O-N 3.32Å; T715-R719 WeakPolarHBondContact O-CB 3.21Å; T715-R719 VanDerWaalsContact O-CG 3.28Å; T715-R719 WeakPolarHBondContact O-CG 3.43Å; T715-R719 PolarHBondContact O-N 3.3Å
716	H	95.4	Very high	94.1	Very high	33 Å²	33	31 Å²	31	15%	0.153	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-49.5	175	174.6	82.3	0	0	0	111.7	D712 L713 Y714 R718 R719 K720 F952 D956	D712-H716 WeakPolarHBondContact O-CB 3.02Å; D712-H716 PolarHBondContact O-N 2.96Å; L713-H716 WeakPolarHBondContact O-CB 3.12Å; L713-H716 PolarHBondContact O-N 3.27Å; Y714-H716 VanDerWaalsContact C-N 3.31Å; Y714-H716 PolarHBondContact O-N 2.98Å; H716-R718 PolarHBondContact O-N 3.18Å; H716-R719 WeakPolarHBondContact O-CB 3.33Å; H716-R719 PolarHBondContact O-N 3.23Å; H716-K720 WeakPolarHBondContact O-CG 3.49Å; H716-K720 PolarHBondContact O-N 3.18Å; H716-K720 VanDerWaalsContact O-N 3.13Å; H716-F952 HydrophobicContact CB-CD2 3.95Å; H716-F952 HydrophobicContact CB-CE2 4.35Å; H716-F952 HydrophobicContact CB-CG 4.19Å; H716-F952 AromaticContact CG-CD2 3.97Å; H716-F952 AromaticContact CG-CG 3.96Å; H716-D956 IonicContact CD2-OD1 2.7Å; H716-D956 IonicContact CE1-OD1 3.36Å; H716-D956 IonicContact CE1-OD2 3.27Å; H716-D956 PolarHBondContact CE1-OD2 3.26Å; H716-D956 VanDerWaalsContact NE2-CG 3.27Å; H716-D956 IonicContact NE2-OD1 2.87Å; H716-D956 PolarHBondContact NE2-OD1 3.11Å; H716-D956 IonicContact NE2-OD2 3.89Å; H716-D956 PolarHBondContact NE2-OD2 3.32Å
717	L	97.3	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-42	179.6	-68	176.8	0	0	0	112.3	I672 L713 Y714 R719 K720 S721 Y722 I724 L955 L959	I672-L717 HydrophobicContact CD1-CD1 4.2Å; I672-L717 HydrophobicContact CD1-CD2 4.1Å; L713-L717 HydrophobicContact CD1-CD1 3.81Å; L713-L717 HydrophobicContact CD1-CD2 4.47Å; L713-L717 HydrophobicContact CD1-CG 3.89Å; L713-L717 HydrophobicContact CG-CD1 4.16Å; L713-L717 WeakPolarHBondContact O-CG 2.79Å; L713-L717 PolarHBondContact O-N 2.84Å; Y714-L717 PolarHBondContact O-N 3.36Å; L717-R719 PolarHBondContact O-N 3.48Å; L717-K720 CarbonylContact O-C 3.54Å; L717-K720 WeakPolarHBondContact O-CA 3.42Å; L717-K720 WeakPolarHBondContact O-CB 3.46Å; L717-K720 PolarHBondContact O-N 3.44Å; L717-K720 VanDerWaalsContact O-N 3.09Å; L717-S721 PolarHBondContact O-N 2.75Å; L717-Y722 HydrophobicContact CD2-CD2 4.2Å; L717-Y722 PolarHBondContact O-N 2.89Å; L717-Y722 VanDerWaalsContact O-N 3.08Å; L717-I724 HydrophobicContact CB-CD1 3.71Å; L717-I724 HydrophobicContact CB-CG1 4.14Å; L717-I724 HydrophobicContact CD1-CD1 4.48Å; L717-I724 HydrophobicContact CD1-CG1 4.01Å; L717-L955 HydrophobicContact CD2-CD2 4.01Å; L717-L959 HydrophobicContact CD2-CD1 3.48Å; L717-L959 VanDerWaalsContact CD2-CD1 3.48Å
718	R	95.9	Very high	94	Very high	53 Å²	53	31.6 Å²	31.6	20%	0.2	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-41.1	174.7	-72	-57.3	-57.8	136.1	-2.8	112.3	S547 Y714 H716 K720 S721 Y722 I724	S547-R718 PolarHBondContact O-NE 3.12Å; S547-R718 VanDerWaalsContact O-NE 3.07Å; S547-R718 PolarHBondContact O-NH2 3.15Å; Y714-R718 HydrophobicContact CD1-CG 4.08Å; Y714-R718 HydrophobicContact CD2-CG 4.34Å; Y714-R718 HydrophobicContact CE1-CG 3.6Å; Y714-R718 HydrophobicContact CE2-CG 3.92Å; Y714-R718 HydrophobicContact CG-CG 4.42Å; Y714-R718 WeakPolarHBondContact O-CB 3.08Å; Y714-R718 WeakPolarHBondContact O-CG 2.78Å; Y714-R718 PolarHBondContact O-N 3.23Å; H716-R718 PolarHBondContact O-N 3.18Å; R718-K720 PolarHBondContact O-N 3.05Å; R718-S721 WeakPolarHBondContact O-CA 2.91Å; R718-S721 PolarHBondContact O-N 2.91Å; R718-Y722 WeakPolarHBondContact CD-O 3.4Å; R718-Y722 PolarHBondContact NH1-O 3.24Å; R718-I724 VanDerWaalsContact CD-CD1 3.45Å; R718-I724 HydrophobicContact CG-CD1 3.82Å
719	R	95.4	Very high	94	Very high	202 Å²	202	31.8 Å²	31.8	76%	0.762	15%	0.151	S	C	*	.	H	α-helix	trans	-62	-26.2	173.7	-75.1	172.6	177.8	168.5	3	112.8	T715 H716 L717 S721	T715-R719 WeakPolarHBondContact O-CB 3.21Å; T715-R719 VanDerWaalsContact O-CG 3.28Å; T715-R719 WeakPolarHBondContact O-CG 3.43Å; T715-R719 PolarHBondContact O-N 3.3Å; H716-R719 WeakPolarHBondContact O-CB 3.33Å; H716-R719 PolarHBondContact O-N 3.23Å; L717-R719 PolarHBondContact O-N 3.48Å; R719-S721 VanDerWaalsContact C-N 3.26Å
720	K	95.7	Very high	94.3	Very high	91 Å²	91	31.8 Å²	31.8	40%	0.396	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	8.7	173.2	-62	-69.3	-174	151.8	0	113.8	K670 H716 L717 R718 Y722 D956	K670-K720 PolarHBondContact NZ-O 2.64Å; K670-K720 VanDerWaalsContact NZ-O 3.08Å; H716-K720 WeakPolarHBondContact O-CG 3.49Å; H716-K720 PolarHBondContact O-N 3.18Å; H716-K720 VanDerWaalsContact O-N 3.13Å; L717-K720 CarbonylContact O-C 3.54Å; L717-K720 WeakPolarHBondContact O-CA 3.42Å; L717-K720 WeakPolarHBondContact O-CB 3.46Å; L717-K720 PolarHBondContact O-N 3.44Å; L717-K720 VanDerWaalsContact O-N 3.09Å; R718-K720 PolarHBondContact O-N 3.05Å; K720-Y722 VanDerWaalsContact C-N 3.26Å; K720-Y722 HydrophobicContact CB-CD2 3.64Å; K720-Y722 HydrophobicContact CB-CE2 3.79Å; K720-Y722 PolarHBondContact O-N 3.08Å; K720-D956 WeakPolarHBondContact CE-OD2 3.34Å; K720-D956 IonicContact NZ-OD2 2.82Å; K720-D956 PolarHBondContact NZ-OD2 3.31Å
721	S	95.4	Very high	94.5	Very high	74 Å²	74	31.8 Å²	31.8	52%	0.517	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	28.3	179.7	-42.7	0	0	0	0	113.9	L717 R718 R719	L717-S721 PolarHBondContact O-N 2.75Å; R718-S721 WeakPolarHBondContact O-CA 2.91Å; R718-S721 PolarHBondContact O-N 2.91Å; R719-S721 VanDerWaalsContact C-N 3.26Å
722	Y	97.8	Very high	94.4	Very high	16 Å²	16	32.3 Å²	32.3	6%	0.063	15%	0.154	C	C	.	.			trans	-82.5	141.6	166.3	-70.2	-79.4	0	0	0	110.1	K670 I672 L717 R718 K720 I724 L959	K670-Y722 HydrophobicContact CD-CD1 3.97Å; K670-Y722 HydrophobicContact CD-CE1 3.95Å; K670-Y722 CarbonylContact O-C 3.51Å; K670-Y722 WeakPolarHBondContact O-CA 2.84Å; I672-Y722 HydrophobicContact CD1-CD1 3.62Å; I672-Y722 HydrophobicContact CD1-CD2 4.38Å; I672-Y722 HydrophobicContact CD1-CE1 4.31Å; I672-Y722 HydrophobicContact CD1-CG 3.67Å; I672-Y722 HydrophobicContact CG1-CD1 3.94Å; I672-Y722 HydrophobicContact CG1-CG 4.37Å; L717-Y722 HydrophobicContact CD2-CD2 4.2Å; L717-Y722 PolarHBondContact O-N 2.89Å; L717-Y722 VanDerWaalsContact O-N 3.08Å; R718-Y722 WeakPolarHBondContact CD-O 3.4Å; R718-Y722 PolarHBondContact NH1-O 3.24Å; K720-Y722 VanDerWaalsContact C-N 3.26Å; K720-Y722 HydrophobicContact CB-CD2 3.64Å; K720-Y722 HydrophobicContact CB-CE2 3.79Å; K720-Y722 PolarHBondContact O-N 3.08Å; Y722-I724 WeakPolarHBondContact O-CD1 3.26Å; Y722-L959 HydrophobicContact CD2-CD1 4.39Å; Y722-L959 HydrophobicContact CE2-CD1 3.97Å
723	F	98	Very high	94.4	Very high	34 Å²	34	31.5 Å²	31.5	15%	0.149	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.6	170.5	-65.4	-96.7	0	0	0	108	Q548 P549 Y551 P666 K670 I672	Q548-F723 HydrophobicContact CB-CD1 4.31Å; P549-F723 HydrophobicContact CG-CE1 3.96Å; Y551-F723 HydrophobicContact CD1-CD1 4.22Å; Y551-F723 HydrophobicContact CD1-CE1 4.4Å; Y551-F723 HydrophobicContact CE1-CB 4.05Å; Y551-F723 AromaticContact CE1-CD1 3.49Å; Y551-F723 HydrophobicContact CE1-CD1 3.49Å; Y551-F723 VanDerWaalsContact CE1-CD1 3.49Å; Y551-F723 HydrophobicContact CE1-CE1 4.1Å; Y551-F723 AromaticContact CE1-CG 3.91Å; Y551-F723 HydrophobicContact CE1-CG 3.91Å; Y551-F723 WeakPolarHBondContact OH-CB 3.48Å; P666-F723 HydrophobicContact CB-CD2 3.55Å; P666-F723 HydrophobicContact CB-CE2 3.55Å; P666-F723 HydrophobicContact CB-CG 4.25Å; P666-F723 HydrophobicContact CB-CZ 4.22Å; P666-F723 HydrophobicContact CG-CD1 4.05Å; P666-F723 HydrophobicContact CG-CD2 3.57Å; P666-F723 HydrophobicContact CG-CE1 3.96Å; P666-F723 HydrophobicContact CG-CE2 3.51Å; P666-F723 HydrophobicContact CG-CG 3.84Å; P666-F723 HydrophobicContact CG-CZ 3.69Å; K670-F723 PolarHBondContact O-N 2.94Å; I672-F723 PolarHBondContact N-O 2.78Å
724	I	97.2	Very high	94.3	Very high	5 Å²	5	32 Å²	32	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.1	-175.2	-55	92.1	0	0	0	107.4	Q548 I672 F674 I706 Y714 L717 R718 Y722	Q548-I724 PolarHBondContact NE2-O 3.02Å; Q548-I724 PolarHBondContact OE1-O 2.71Å; I672-I724 WeakPolarHBondContact O-CA 3.45Å; F674-I724 HydrophobicContact CB-CG2 4.14Å; I706-I724 HydrophobicContact CG1-CG2 4.16Å; Y714-I724 HydrophobicContact CD2-CB 4.2Å; Y714-I724 HydrophobicContact CD2-CD1 4.04Å; Y714-I724 HydrophobicContact CD2-CG1 4.36Å; Y714-I724 HydrophobicContact CE2-CB 4.08Å; Y714-I724 HydrophobicContact CE2-CD1 4Å; Y714-I724 HydrophobicContact CE2-CG1 4.49Å; L717-I724 HydrophobicContact CB-CD1 3.71Å; L717-I724 HydrophobicContact CB-CG1 4.14Å; L717-I724 HydrophobicContact CD1-CD1 4.48Å; L717-I724 HydrophobicContact CD1-CG1 4.01Å; R718-I724 VanDerWaalsContact CD-CD1 3.45Å; R718-I724 HydrophobicContact CG-CD1 3.82Å; Y722-I724 WeakPolarHBondContact O-CD1 3.26Å
725	E	95.5	Very high	94.3	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.023	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.1	178.7	-60.3	-178.8	-131.7	0	0	108	Y551 M554 Q555 R671 I672 L673 F674 Y739	Y551-E725 WeakPolarHBondContact CE2-OE1 3.48Å; Y551-E725 VanDerWaalsContact OH-CD 3.24Å; Y551-E725 PolarHBondContact OH-OE1 2.98Å; M554-E725 VanDerWaalsContact C-OE2 3.31Å; M554-E725 WeakPolarHBondContact CA-OE2 3.4Å; M554-E725 WeakPolarHBondContact CB-OE2 3.04Å; Q555-E725 HydrophobicContact CB-CB 4.37Å; Q555-E725 HydrophobicContact CG-CB 4.33Å; Q555-E725 PolarHBondContact N-OE2 3.25Å; R671-E725 IonicContact CZ-OE1 2.65Å; R671-E725 IonicContact NE-OE1 3.03Å; R671-E725 PolarHBondContact NE-OE1 2.94Å; R671-E725 IonicContact NH2-OE1 2.75Å; R671-E725 PolarHBondContact NH2-OE1 3.46Å; R671-E725 IonicContact NH2-OE2 3.42Å; I672-E725 PolarHBondContact O-N 3.12Å; L673-E725 HydrophobicContact CD1-CB 3.96Å; F674-E725 PolarHBondContact N-O 3.44Å; E725-Y739 HydrophobicContact CB-CE1 4.16Å; E725-Y739 HydrophobicContact CG-CE1 4.22Å; E725-Y739 VanDerWaalsContact OE1-CE1 3.29Å; E725-Y739 WeakPolarHBondContact OE1-CE1 3.49Å; E725-Y739 WeakPolarHBondContact OE2-CE1 3.26Å; E725-Y739 PolarHBondContact OE2-OH 3.5Å
726	V	93.9	Very high	94.4	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.048	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.6	-176.2	-174.7	0	0	0	0	108.2	Q676 I706 T728	Q676-V726 HydrophobicContact CB-CG1 3.5Å; Q676-V726 VanDerWaalsContact CB-CG1 3.5Å; Q676-V726 HydrophobicContact CG-CG1 4.01Å; I706-V726 HydrophobicContact CG2-CG2 3.69Å; V726-T728 HydrophobicContact CG1-CG2 3.97Å
727	L	93.4	Very high	94.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.1	175.5	-177.7	67.8	0	0	0	109.3	L673 F674 Q676 F677 S729 F731 F734 F742	L673-L727 HydrophobicContact CD1-CB 3.89Å; L673-L727 HydrophobicContact CD2-CB 4.36Å; L673-L727 HydrophobicContact CD2-CD2 4.2Å; L673-L727 HydrophobicContact CG-CB 4.05Å; F674-L727 WeakPolarHBondContact O-CB 3.35Å; F674-L727 PolarHBondContact O-N 2.85Å; Q676-L727 WeakPolarHBondContact CA-O 3.4Å; Q676-L727 WeakPolarHBondContact CB-O 3.35Å; Q676-L727 PolarHBondContact N-O 3.46Å; F677-L727 PolarHBondContact N-O 2.98Å; F677-L727 VanDerWaalsContact N-O 3.15Å; L727-S729 WeakPolarHBondContact CD1-OG 3.41Å; L727-S729 VanDerWaalsContact CG-O 3.31Å; L727-S729 WeakPolarHBondContact CG-O 3.36Å; L727-F731 HydrophobicContact CD2-CD1 3.78Å; L727-F731 HydrophobicContact CD2-CE1 4.19Å; L727-F734 HydrophobicContact CD1-CB 4.42Å; L727-F734 HydrophobicContact CD1-CD1 3.95Å; L727-F734 HydrophobicContact CD2-CD1 3.76Å; L727-F734 HydrophobicContact CD2-CE1 3.82Å; L727-F742 HydrophobicContact CD2-CE2 3.96Å; L727-F742 HydrophobicContact CD2-CZ 3.92Å
728	T	89.5	Confident	94.3	Very high	17 Å²	17	36.8 Å²	36.8	10%	0.104	18%	0.184	C	C	.	.			trans	-108.4	19	-176	63.5	0	0	0	0	112.2	A388 F677 V726 Y1034	A388-T728 WeakPolarHBondContact O-CB 3.35Å; A388-T728 WeakPolarHBondContact O-CG2 3.38Å; A388-T728 PolarHBondContact O-OG1 2.61Å; F677-T728 WeakPolarHBondContact CD2-O 3.49Å; V726-T728 HydrophobicContact CG1-CG2 3.97Å; T728-Y1034 VanDerWaalsContact O-CD2 3.29Å; T728-Y1034 WeakPolarHBondContact O-CD2 3.22Å; T728-Y1034 WeakPolarHBondContact O-CE2 3.47Å
729	S	90.7	Very high	94.3	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.035	18%	0.175	C	C	.	.	S	Bend	trans	-147.1	171.4	-171.8	58.6	0	0	0	0	110.4	L727 C733 S1032	L727-S729 WeakPolarHBondContact CD1-OG 3.41Å; L727-S729 VanDerWaalsContact CG-O 3.31Å; L727-S729 WeakPolarHBondContact CG-O 3.36Å; S729-C733 WeakPolarHBondContact OG-CB 2.93Å; S729-S1032 WeakPolarHBondContact CB-O 3.46Å
730	T	92.7	Very high	94.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.			trans	-60.8	157.4	176.3	51.4	0	0	0	0	113	F677 D732 C733 F752 Y754 E755 S1032	F677-T730 HydrophobicContact CD1-CG2 4.32Å; F677-T730 HydrophobicContact CE1-CG2 3.72Å; F677-T730 HydrophobicContact CZ-CG2 4.03Å; T730-D732 WeakPolarHBondContact CB-OD1 3.24Å; T730-D732 PolarHBondContact O-N 3.28Å; T730-D732 VanDerWaalsContact O-N 3.09Å; T730-D732 PolarHBondContact OG1-OD1 2.89Å; T730-C733 VanDerWaalsContact O-CB 3.32Å; T730-C733 WeakPolarHBondContact O-CB 3.35Å; T730-C733 PolarHBondContact O-N 3.42Å; T730-C733 PolarHBondContact O-SG 3.44Å; T730-C733 PolarHBondContact OG1-SG 3.43Å; T730-C733 VanDerWaalsContact OG1-SG 3.39Å; T730-F752 HydrophobicContact CG2-CD2 3.63Å; T730-F752 HydrophobicContact CG2-CE2 3.59Å; T730-Y754 VanDerWaalsContact CG2-OH 3.28Å; T730-Y754 WeakPolarHBondContact CG2-OH 3.15Å; T730-E755 WeakPolarHBondContact CA-OE1 3.24Å; T730-E755 VanDerWaalsContact CB-OE1 3.25Å; T730-E755 WeakPolarHBondContact CB-OE1 3.17Å; T730-S1032 VanDerWaalsContact CG2-OG 3.23Å; T730-S1032 WeakPolarHBondContact CG2-OG 3.5Å
731	F	94.2	Very high	94.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.3	-172	-64.2	-7.5	0	0	0	112.4	D675 H678 L727 C733 F734 F742 I744 F751 E755 K758 L759 L811	D675-F731 VanDerWaalsContact OD2-CE1 3.29Å; D675-F731 WeakPolarHBondContact OD2-CE1 3.47Å; D675-F731 WeakPolarHBondContact OD2-CZ 3.27Å; H678-F731 AromaticContact CE1-CD1 3.97Å; H678-F731 AromaticContact CE1-CE1 3.33Å; H678-F731 WeakPolarHBondContact CE1-CE1 3.47Å; H678-F731 AromaticContact CE1-CZ 3.7Å; H678-F731 AromaticContact ND1-CE1 3.47Å; H678-F731 WeakPolarHBondContact ND1-CE1 3.15Å; H678-F731 AromaticContact ND1-CZ 3.79Å; L727-F731 HydrophobicContact CD2-CD1 3.78Å; L727-F731 HydrophobicContact CD2-CE1 4.19Å; F731-C733 PolarHBondContact O-N 3.35Å; F731-F734 HydrophobicContact CB-CE1 3.93Å; F731-F734 HydrophobicContact CD1-CE1 4.37Å; F731-F734 HydrophobicContact CG-CE1 4.32Å; F731-F734 WeakPolarHBondContact O-CD1 3.47Å; F731-F734 VanDerWaalsContact O-CE1 3.26Å; F731-F734 WeakPolarHBondContact O-CE1 3.28Å; F731-F734 PolarHBondContact O-N 3.02Å; F731-F742 HydrophobicContact CD1-CE1 4.11Å; F731-F742 AromaticContact CD1-CZ 3.84Å; F731-F742 HydrophobicContact CD1-CZ 3.84Å; F731-F742 HydrophobicContact CD2-CE1 4.28Å; F731-F742 AromaticContact CE1-CE1 3.73Å; F731-F742 HydrophobicContact CE1-CE1 3.73Å; F731-F742 AromaticContact CE1-CZ 3.42Å; F731-F742 HydrophobicContact CE1-CZ 3.42Å; F731-F742 VanDerWaalsContact CE1-CZ 3.42Å; F731-F742 AromaticContact CE2-CE1 3.92Å; F731-F742 HydrophobicContact CE2-CE1 3.92Å; F731-F742 HydrophobicContact CE2-CZ 4.45Å; F731-F742 HydrophobicContact CG-CE1 4.39Å; F731-F742 AromaticContact CZ-CE1 3.62Å; F731-F742 HydrophobicContact CZ-CE1 3.62Å; F731-F742 AromaticContact CZ-CZ 3.77Å; F731-F742 HydrophobicContact CZ-CZ 3.77Å; F731-I744 HydrophobicContact CZ-CD1 4.16Å; F731-F751 HydrophobicContact CE2-CD1 4.2Å; F731-F751 HydrophobicContact CE2-CE1 4.41Å; F731-F751 AromaticContact CZ-CD1 3.96Å; F731-F751 HydrophobicContact CZ-CD1 3.96Å; F731-F751 AromaticContact CZ-CE1 3.85Å; F731-F751 HydrophobicContact CZ-CE1 3.85Å; F731-E755 HydrophobicContact CB-CB 4.16Å; F731-E755 HydrophobicContact CB-CG 4.02Å; F731-E755 HydrophobicContact CD2-CB 3.71Å; F731-E755 HydrophobicContact CD2-CG 4.31Å; F731-E755 HydrophobicContact CE2-CB 4.35Å; F731-E755 HydrophobicContact CG-CB 4.07Å; F731-E755 HydrophobicContact CG-CG 4.17Å; F731-E755 PolarHBondContact N-OE1 3.06Å; F731-K758 HydrophobicContact CB-CD 4.26Å; F731-K758 WeakPolarHBondContact O-CD 3.37Å; F731-K758 WeakPolarHBondContact O-CE 3.43Å; F731-L759 HydrophobicContact CD2-CB 4.15Å; F731-L759 HydrophobicContact CE2-CB 4.47Å; F731-L759 HydrophobicContact CE2-CD2 4.18Å; F731-L811 HydrophobicContact CE2-CD1 4.01Å; F731-L811 HydrophobicContact CE2-CD2 4.42Å
732	D	89.6	Confident	94.6	Very high	40 Å²	40	17 Å²	17	21%	0.214	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-63.6	-7.5	178	74.8	-38	0	0	0	115.6	T730 Y754 K758 K1031	T730-D732 WeakPolarHBondContact CB-OD1 3.24Å; T730-D732 PolarHBondContact O-N 3.28Å; T730-D732 VanDerWaalsContact O-N 3.09Å; T730-D732 PolarHBondContact OG1-OD1 2.89Å; D732-Y754 HydrophobicContact CB-CD2 4.48Å; D732-Y754 HydrophobicContact CB-CE2 4.43Å; D732-K758 VanDerWaalsContact CA-CE 3.41Å; D732-K758 HydrophobicContact CB-CD 3.82Å; D732-K1031 WeakPolarHBondContact OD2-CD 3.33Å; D732-K1031 IonicContact OD2-NZ 3.19Å; D732-K1031 PolarHBondContact OD2-NZ 3.1Å
733	C	91.2	Very high	94.6	Very high	32 Å²	32	16.3 Å²	16.3	22%	0.216	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-89.7	-2.5	-179.4	-48.9	0	0	0	0	114.2	S729 T730 F731 C1033	S729-C733 WeakPolarHBondContact OG-CB 2.93Å; T730-C733 VanDerWaalsContact O-CB 3.32Å; T730-C733 WeakPolarHBondContact O-CB 3.35Å; T730-C733 PolarHBondContact O-N 3.42Å; T730-C733 PolarHBondContact O-SG 3.44Å; T730-C733 PolarHBondContact OG1-SG 3.43Å; T730-C733 VanDerWaalsContact OG1-SG 3.39Å; F731-C733 PolarHBondContact O-N 3.35Å; C733-C1033 VanDerWaalsContact CA-SG 3.53Å; C733-C1033 HydrophobicContact CB-CB 3.87Å; C733-C1033 WeakPolarHBondContact CB-SG 3.48Å; C733-C1033 WeakPolarHBondContact SG-CA 3.1Å; C733-C1033 WeakPolarHBondContact SG-CB 3.37Å; C733-C1033 CovalentContact SG-SG 2.04Å; C733-C1033 PolarHBondContact SG-SG 2.86Å
734	F	93.6	Very high	94.6	Very high	10 Å²	10	14.8 Å²	14.8	4%	0.044	9%	0.087	C	C	.	.	S	Bend	trans	-124.7	153.6	176.1	78.3	-92.5	0	0	0	114.4	L673 L727 F731 A736 Y739 F742 K758 L768	L673-F734 HydrophobicContact CD2-CB 4.23Å; L673-F734 HydrophobicContact CD2-CD1 3.62Å; L673-F734 HydrophobicContact CD2-CD2 3.58Å; L673-F734 HydrophobicContact CD2-CE1 3.76Å; L673-F734 HydrophobicContact CD2-CE2 3.73Å; L673-F734 HydrophobicContact CD2-CG 3.54Å; L673-F734 HydrophobicContact CD2-CZ 3.83Å; L727-F734 HydrophobicContact CD1-CB 4.42Å; L727-F734 HydrophobicContact CD1-CD1 3.95Å; L727-F734 HydrophobicContact CD2-CD1 3.76Å; L727-F734 HydrophobicContact CD2-CE1 3.82Å; F731-F734 HydrophobicContact CB-CE1 3.93Å; F731-F734 HydrophobicContact CD1-CE1 4.37Å; F731-F734 HydrophobicContact CG-CE1 4.32Å; F731-F734 WeakPolarHBondContact O-CD1 3.47Å; F731-F734 VanDerWaalsContact O-CE1 3.26Å; F731-F734 WeakPolarHBondContact O-CE1 3.28Å; F731-F734 PolarHBondContact O-N 3.02Å; F734-A736 HydrophobicContact CD2-CB 4.45Å; F734-A736 HydrophobicContact CE2-CB 3.89Å; F734-Y739 HydrophobicContact CB-CE2 4.21Å; F734-Y739 AromaticContact CD2-CD2 3.91Å; F734-Y739 HydrophobicContact CD2-CD2 3.91Å; F734-Y739 AromaticContact CD2-CE2 3.88Å; F734-Y739 HydrophobicContact CD2-CE2 3.88Å; F734-Y739 HydrophobicContact CE2-CD2 4.43Å; F734-Y739 HydrophobicContact CG-CE2 4.41Å; F734-F742 HydrophobicContact CE1-CZ 4.41Å; F734-K758 PolarHBondContact O-NZ 3.49Å; F734-L768 HydrophobicContact CE2-CD2 4.03Å; F734-L768 HydrophobicContact CZ-CD2 4.12Å
735	N	94.6	Very high	94.5	Very high	78 Å²	78	14.6 Å²	14.6	42%	0.417	9%	0.086	S	C	.	.			trans	-94.4	106.6	171.3	-174.9	-0.8	0	0	0	110.5	S737 N738 Y739	N735-S737 PolarHBondContact O-N 2.82Å; N735-S737 VanDerWaalsContact O-N 3.15Å; N735-S737 WeakPolarHBondContact OD1-CB 3.36Å; N735-S737 PolarHBondContact OD1-N 3.45Å; N735-S737 VanDerWaalsContact OD1-N 3.1Å; N735-S737 PolarHBondContact OD1-OG 3.17Å; N735-N738 VanDerWaalsContact O-CB 3.31Å; N735-N738 WeakPolarHBondContact O-CB 3.31Å; N735-N738 PolarHBondContact O-N 3.46Å; N735-Y739 WeakPolarHBondContact O-CD2 3.46Å
736	A	95.5	Very high	94.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-58.8	-23.4	179.5	0	0	0	0	0	115.1	R668 F734 N738 Y739 D762 K766 L768	R668-A736 PolarHBondContact NH2-O 2.77Å; F734-A736 HydrophobicContact CD2-CB 4.45Å; F734-A736 HydrophobicContact CE2-CB 3.89Å; A736-N738 PolarHBondContact O-N 3.42Å; A736-N738 VanDerWaalsContact O-N 3.15Å; A736-Y739 PolarHBondContact O-N 2.87Å; A736-D762 HydrophobicContact CB-CB 3.5Å; A736-D762 WeakPolarHBondContact CB-OD2 3.13Å; A736-K766 HydrophobicContact CB-CB 4.34Å; A736-K766 HydrophobicContact CB-CD 4.16Å; A736-L768 HydrophobicContact CB-CB 4.14Å; A736-L768 HydrophobicContact CB-CD1 4.48Å; A736-L768 HydrophobicContact CB-CD2 3.95Å; A736-L768 HydrophobicContact CB-CG 4.44Å
737	S	94.3	Very high	94.5	Very high	60 Å²	60	14 Å²	14	42%	0.42	8%	0.083	S	C	.	.	G	3₁₀ helix	trans	-62.1	-21.3	174.6	-58.3	0	0	0	0	112.5	R668 N735	R668-S737 VanDerWaalsContact CD-O 3.26Å; R668-S737 WeakPolarHBondContact CD-O 3.03Å; R668-S737 PolarHBondContact NE-O 3.22Å; R668-S737 VanDerWaalsContact NE-O 3.11Å; N735-S737 PolarHBondContact O-N 2.82Å; N735-S737 VanDerWaalsContact O-N 3.15Å; N735-S737 WeakPolarHBondContact OD1-CB 3.36Å; N735-S737 PolarHBondContact OD1-N 3.45Å; N735-S737 VanDerWaalsContact OD1-N 3.1Å; N735-S737 PolarHBondContact OD1-OG 3.17Å
738	N	95.5	Very high	94.5	Very high	43 Å²	43	14.2 Å²	14.2	23%	0.23	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-77.9	-23.1	179.6	-65.7	-10.4	0	0	0	113.6	S553 R671 N735 A736	S553-N738 PolarHBondContact O-ND2 2.83Å; R671-N738 WeakPolarHBondContact CD-O 2.84Å; R671-N738 PolarHBondContact NE-O 3.3Å; R671-N738 PolarHBondContact NH1-O 2.99Å; N735-N738 VanDerWaalsContact O-CB 3.31Å; N735-N738 WeakPolarHBondContact O-CB 3.31Å; N735-N738 PolarHBondContact O-N 3.46Å; A736-N738 PolarHBondContact O-N 3.42Å; A736-N738 VanDerWaalsContact O-N 3.15Å
739	Y	96.9	Very high	94.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.08	C	C	.	.			trans	-116.9	136.9	-167.7	-56.6	-82.4	0	0	0	111.8	Q555 R668 R671 L673 E725 F734 N735 A736 L768	Q555-Y739 WeakPolarHBondContact CG-OH 3.48Å; Q555-Y739 PolarHBondContact NE2-OH 3.01Å; R668-Y739 PolarHBondContact NE-O 3.31Å; R668-Y739 PolarHBondContact NH2-O 3.18Å; R671-Y739 HydrophobicContact CB-CD1 4.19Å; L673-Y739 HydrophobicContact CB-CD1 3.74Å; L673-Y739 HydrophobicContact CB-CD2 4.48Å; L673-Y739 HydrophobicContact CB-CE1 4Å; L673-Y739 HydrophobicContact CB-CG 3.99Å; L673-Y739 HydrophobicContact CD1-CE1 3.91Å; L673-Y739 HydrophobicContact CD2-CD2 4.22Å; L673-Y739 HydrophobicContact CD2-CE2 4.11Å; L673-Y739 HydrophobicContact CG-CE1 4.42Å; E725-Y739 HydrophobicContact CB-CE1 4.16Å; E725-Y739 HydrophobicContact CG-CE1 4.22Å; E725-Y739 VanDerWaalsContact OE1-CE1 3.29Å; E725-Y739 WeakPolarHBondContact OE1-CE1 3.49Å; E725-Y739 WeakPolarHBondContact OE2-CE1 3.26Å; E725-Y739 PolarHBondContact OE2-OH 3.5Å; F734-Y739 HydrophobicContact CB-CE2 4.21Å; F734-Y739 AromaticContact CD2-CD2 3.91Å; F734-Y739 HydrophobicContact CD2-CD2 3.91Å; F734-Y739 AromaticContact CD2-CE2 3.88Å; F734-Y739 HydrophobicContact CD2-CE2 3.88Å; F734-Y739 HydrophobicContact CE2-CD2 4.43Å; F734-Y739 HydrophobicContact CG-CE2 4.41Å; N735-Y739 WeakPolarHBondContact O-CD2 3.46Å; A736-Y739 PolarHBondContact O-N 2.87Å; Y739-L768 WeakPolarHBondContact O-CD1 3.16Å
740	G	94.9	Very high	94.7	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.031	8%	0.079	C	C	.	.	S	Bend	trans	-81.1	-32.6	176.3	0	0	0	0	0	112.7	R668 R671 S769	R668-G740 VanDerWaalsContact O-CA 3.31Å; R668-G740 WeakPolarHBondContact O-CA 3.49Å; R668-G740 PolarHBondContact O-N 3.09Å; R671-G740 PolarHBondContact O-N 2.87Å; R671-G740 VanDerWaalsContact O-N 3.11Å; G740-S769 WeakPolarHBondContact O-CB 3.18Å; G740-S769 PolarHBondContact O-N 2.89Å
741	T	97.9	Very high	94.7	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	136	-177	-59.4	0	0	0	0	110.4	R671 I672 L673 S769 I771 L959 S962	R671-T741 PolarHBondContact O-N 3Å; I672-T741 WeakPolarHBondContact CA-O 3.38Å; L673-T741 PolarHBondContact N-O 2.71Å; T741-S769 CarbonylContact C-O 3.58Å; T741-S769 VanDerWaalsContact CA-O 3.32Å; T741-S769 WeakPolarHBondContact CA-O 3.33Å; T741-I771 HydrophobicContact CG2-CB 4.37Å; T741-I771 HydrophobicContact CG2-CD1 3.65Å; T741-I771 HydrophobicContact CG2-CG1 3.76Å; T741-L959 HydrophobicContact CG2-CD2 3.96Å; T741-S962 PolarHBondContact OG1-OG 2.96Å
742	F	98.5	Very high	94.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.9	167.1	-171.8	-142.9	0	0	0	108.8	L673 D675 L727 F731 F734 I744 L759 L768 S769 L770 I771	L673-F742 HydrophobicContact CB-CD2 3.79Å; L673-F742 HydrophobicContact CB-CE2 4.37Å; L673-F742 HydrophobicContact CD2-CD2 3.85Å; L673-F742 HydrophobicContact CD2-CE2 3.88Å; L673-F742 HydrophobicContact CG-CD2 3.83Å; L673-F742 HydrophobicContact CG-CE2 3.91Å; L673-F742 WeakPolarHBondContact O-CA 3.49Å; L673-F742 WeakPolarHBondContact O-CD2 3.05Å; D675-F742 HydrophobicContact CB-CE2 3.88Å; D675-F742 HydrophobicContact CB-CZ 3.8Å; L727-F742 HydrophobicContact CD2-CE2 3.96Å; L727-F742 HydrophobicContact CD2-CZ 3.92Å; F731-F742 HydrophobicContact CD1-CE1 4.11Å; F731-F742 AromaticContact CD1-CZ 3.84Å; F731-F742 HydrophobicContact CD1-CZ 3.84Å; F731-F742 HydrophobicContact CD2-CE1 4.28Å; F731-F742 AromaticContact CE1-CE1 3.73Å; F731-F742 HydrophobicContact CE1-CE1 3.73Å; F731-F742 AromaticContact CE1-CZ 3.42Å; F731-F742 HydrophobicContact CE1-CZ 3.42Å; F731-F742 VanDerWaalsContact CE1-CZ 3.42Å; F731-F742 AromaticContact CE2-CE1 3.92Å; F731-F742 HydrophobicContact CE2-CE1 3.92Å; F731-F742 HydrophobicContact CE2-CZ 4.45Å; F731-F742 HydrophobicContact CG-CE1 4.39Å; F731-F742 AromaticContact CZ-CE1 3.62Å; F731-F742 HydrophobicContact CZ-CE1 3.62Å; F731-F742 AromaticContact CZ-CZ 3.77Å; F731-F742 HydrophobicContact CZ-CZ 3.77Å; F734-F742 HydrophobicContact CE1-CZ 4.41Å; F742-I744 HydrophobicContact CD1-CD1 4.36Å; F742-I744 HydrophobicContact CD1-CG1 4.35Å; F742-I744 HydrophobicContact CE1-CD1 3.95Å; F742-I744 HydrophobicContact CE1-CG1 4.04Å; F742-I744 HydrophobicContact CZ-CG1 4.3Å; F742-L759 HydrophobicContact CD1-CD1 3.79Å; F742-L759 HydrophobicContact CE1-CD1 4.17Å; F742-L768 HydrophobicContact CB-CD1 4.02Å; F742-L768 HydrophobicContact CB-CD2 3.82Å; F742-L768 HydrophobicContact CB-CG 3.96Å; F742-L768 HydrophobicContact CD1-CD2 4.41Å; F742-L768 HydrophobicContact CG-CD2 4.37Å; F742-S769 PolarHBondContact N-O 3.43Å; F742-L770 HydrophobicContact CB-CD1 4.47Å; F742-L770 HydrophobicContact CD1-CD1 4.02Å; F742-I771 PolarHBondContact O-N 3.05Å
743	L	98.2	Very high	94.7	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.1	-171.2	-175.6	61	0	0	0	108.6	I672 L673 F674 D675 I745 I771 L955	I672-L743 HydrophobicContact CG2-CB 3.95Å; I672-L743 HydrophobicContact CG2-CD2 4.19Å; L673-L743 PolarHBondContact O-N 3.12Å; F674-L743 HydrophobicContact CD2-CD2 4.18Å; F674-L743 HydrophobicContact CD2-CG 4.33Å; D675-L743 PolarHBondContact N-O 2.8Å; L743-I745 HydrophobicContact CD1-CD1 3.82Å; L743-I745 HydrophobicContact CD1-CG1 3.81Å; L743-I745 HydrophobicContact CD2-CD1 3.59Å; L743-I745 HydrophobicContact CD2-CG1 4.35Å; L743-I745 HydrophobicContact CG-CD1 3.59Å; L743-I745 HydrophobicContact CG-CG1 3.78Å; L743-I771 WeakPolarHBondContact CA-O 3.38Å; L743-I771 HydrophobicContact CD1-CB 3.84Å; L743-I771 HydrophobicContact CD1-CG2 3.71Å; L743-L955 HydrophobicContact CD1-CD1 4.3Å
744	I	98.1	Very high	94.7	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117	173.9	-56	178.8	0	0	0	105.9	D675 F731 F742 P747 L770 I771 V772 F773 L811	D675-I744 HydrophobicContact CB-CG1 4.16Å; F731-I744 HydrophobicContact CZ-CD1 4.16Å; F742-I744 HydrophobicContact CD1-CD1 4.36Å; F742-I744 HydrophobicContact CD1-CG1 4.35Å; F742-I744 HydrophobicContact CE1-CD1 3.95Å; F742-I744 HydrophobicContact CE1-CG1 4.04Å; F742-I744 HydrophobicContact CZ-CG1 4.3Å; I744-P747 HydrophobicContact CG2-CB 3.93Å; I744-P747 HydrophobicContact CG2-CG 3.77Å; I744-L770 HydrophobicContact CD1-CD1 3.92Å; I744-L770 HydrophobicContact CG1-CD1 4.21Å; I744-I771 PolarHBondContact N-O 3.38Å; I744-V772 HydrophobicContact CB-CG2 4.36Å; I744-V772 CarbonylContact O-C 3.59Å; I744-V772 VanDerWaalsContact O-CA 3.26Å; I744-V772 WeakPolarHBondContact O-CA 3.38Å; I744-F773 PolarHBondContact O-N 2.9Å; I744-L811 HydrophobicContact CD1-CD2 3.7Å
745	I	96.2	Very high	94.8	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.7	-179.7	-59.7	170.5	0	0	0	105.4	F674 F710 L713 L743 F773 S939 L942	F674-I745 HydrophobicContact CD2-CD1 4.48Å; F674-I745 HydrophobicContact CE2-CB 4.22Å; F674-I745 HydrophobicContact CE2-CD1 4Å; F674-I745 HydrophobicContact CE2-CG1 4.36Å; F710-I745 HydrophobicContact CE1-CG2 3.79Å; F710-I745 HydrophobicContact CE2-CB 4.41Å; F710-I745 HydrophobicContact CE2-CG2 3.85Å; F710-I745 HydrophobicContact CZ-CB 4.37Å; F710-I745 HydrophobicContact CZ-CG2 3.36Å; L713-I745 HydrophobicContact CD2-CD1 3.49Å; L713-I745 VanDerWaalsContact CD2-CD1 3.49Å; L743-I745 HydrophobicContact CD1-CD1 3.82Å; L743-I745 HydrophobicContact CD1-CG1 3.81Å; L743-I745 HydrophobicContact CD2-CD1 3.59Å; L743-I745 HydrophobicContact CD2-CG1 4.35Å; L743-I745 HydrophobicContact CG-CD1 3.59Å; L743-I745 HydrophobicContact CG-CG1 3.78Å; I745-F773 WeakPolarHBondContact CA-O 3.47Å; I745-F773 HydrophobicContact CB-CB 4.35Å; I745-F773 HydrophobicContact CG1-CB 4.08Å; I745-F773 HydrophobicContact CG1-CD2 4.37Å; I745-F773 HydrophobicContact CG1-CG 4.44Å; I745-F773 HydrophobicContact CG2-CB 4.04Å; I745-S939 WeakPolarHBondContact CG2-OG 3.15Å; I745-L942 HydrophobicContact CD1-CD1 3.63Å; I745-L942 HydrophobicContact CG1-CD1 4.21Å; I745-L942 HydrophobicContact CG2-CD1 4.33Å
746	D	94.2	Very high	94.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.			trans	43.7	75.8	-176.9	-101.7	-27.3	0	0	0	113.7	F710 E748 F773 D775 S939	F710-D746 HydrophobicContact CZ-CB 4.41Å; D746-E748 WeakPolarHBondContact CA-OE1 3.26Å; D746-E748 VanDerWaalsContact CB-OE1 3.26Å; D746-E748 WeakPolarHBondContact CB-OE1 3.36Å; D746-F773 PolarHBondContact N-O 3.34Å; D746-F773 VanDerWaalsContact N-O 3.09Å; D746-D775 VanDerWaalsContact OD1-CB 3.29Å; D746-D775 WeakPolarHBondContact OD1-CB 3.38Å; D746-S939 VanDerWaalsContact CG-OG 3.31Å; D746-S939 WeakPolarHBondContact OD2-CB 3.35Å; D746-S939 PolarHBondContact OD2-OG 3.49Å
747	P	95.2	Very high	94.8	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.013	10%	0.101	C	C	.	.			trans	-90.2	112.6	169.5	32.5	-31.1	0	0	0	110.8	H678 I744 F751 N804 L808	H678-P747 HydrophobicContact CB-CB 4.43Å; H678-P747 WeakPolarHBondContact O-CA 3.48Å; I744-P747 HydrophobicContact CG2-CB 3.93Å; I744-P747 HydrophobicContact CG2-CG 3.77Å; P747-F751 HydrophobicContact CB-CE2 4.4Å; P747-F751 HydrophobicContact CB-CZ 3.77Å; P747-F751 HydrophobicContact CG-CZ 4.37Å; P747-N804 PolarHBondContact O-N 3.21Å; P747-L808 HydrophobicContact CG-CD1 4.16Å; P747-L808 HydrophobicContact CG-CD2 4.18Å
748	E	92.9	Very high	94.8	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.019	9%	0.089	C	C	.	.			trans	-93.8	-15.5	176.1	-63.7	65.4	-117	0	0	112.5	H678 S679 I680 I687 D746 T800 G802 N804	H678-E748 PolarHBondContact O-N 2.99Å; H678-E748 VanDerWaalsContact O-N 3.07Å; S679-E748 WeakPolarHBondContact CA-OE2 3.5Å; I680-E748 HydrophobicContact CB-CG 4.36Å; I680-E748 PolarHBondContact N-OE2 2.99Å; I687-E748 HydrophobicContact CD1-CB 4.36Å; I687-E748 HydrophobicContact CD1-CG 4.47Å; I687-E748 HydrophobicContact CG2-CG 4.07Å; D746-E748 WeakPolarHBondContact CA-OE1 3.26Å; D746-E748 VanDerWaalsContact CB-OE1 3.26Å; D746-E748 WeakPolarHBondContact CB-OE1 3.36Å; E748-T800 HydrophobicContact CB-CG2 3.99Å; E748-T800 HydrophobicContact CG-CG2 4.22Å; E748-G802 VanDerWaalsContact OE1-O 3.13Å; E748-N804 WeakPolarHBondContact O-CB 3.49Å; E748-N804 PolarHBondContact O-ND2 2.83Å
749	E	91.6	Very high	94.9	Very high	5 Å²	5	16.1 Å²	16.1	2%	0.023	8%	0.078	C	C	.	.	S	Bend	trans	-92.6	160.6	-175.3	-173.8	56.2	-72.9	0	0	113	H678 H681 S1005 N1006 V1007	H678-E749 HydrophobicContact CB-CB 4.03Å; H678-E749 VanDerWaalsContact O-CB 3.28Å; H678-E749 WeakPolarHBondContact O-CB 3.45Å; H678-E749 PolarHBondContact O-N 3.1Å; H678-E749 VanDerWaalsContact O-N 3.08Å; H681-E749 IonicContact CD2-OE2 3.17Å; H681-E749 IonicContact NE2-OE2 3.64Å; E749-S1005 WeakPolarHBondContact OE1-CB 3.33Å; E749-S1005 PolarHBondContact OE1-OG 3.5Å; E749-S1005 WeakPolarHBondContact OE2-CA 3.35Å; E749-S1005 WeakPolarHBondContact OE2-CB 3.43Å; E749-S1005 PolarHBondContact OE2-OG 2.83Å; E749-N1006 PolarHBondContact OE2-N 3.27Å; E749-V1007 HydrophobicContact CG-CB 4.42Å; E749-V1007 HydrophobicContact CG-CG2 3.76Å
750	E	92.3	Very high	95	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	9%	0.087	C	C	.	.			trans	-73.5	157.7	169.3	-71.3	-65.5	163.3	0	0	112.8	H678 N804 A807 R995 V1007 I1008 L1022	H678-E750 PolarHBondContact CD2-O 2.92Å; E750-N804 PolarHBondContact OE1-ND2 3.45Å; E750-A807 VanDerWaalsContact OE2-CB 3.27Å; E750-A807 WeakPolarHBondContact OE2-CB 3.5Å; E750-R995 IonicContact OE1-CZ 3.03Å; E750-R995 IonicContact OE1-NE 3.48Å; E750-R995 PolarHBondContact OE1-NE 3.16Å; E750-R995 IonicContact OE1-NH2 3.62Å; E750-R995 PolarHBondContact OE1-NH2 3.31Å; E750-R995 IonicContact OE2-CZ 2.84Å; E750-R995 IonicContact OE2-NE 3.64Å; E750-R995 IonicContact OE2-NH2 2.83Å; E750-R995 PolarHBondContact OE2-NH2 3.2Å; E750-V1007 HydrophobicContact CB-CB 4.17Å; E750-V1007 HydrophobicContact CB-CG1 3.81Å; E750-V1007 WeakPolarHBondContact O-CG2 3.38Å; E750-I1008 HydrophobicContact CB-CD1 4.45Å; E750-I1008 HydrophobicContact CB-CG1 4.21Å; E750-I1008 HydrophobicContact CG-CD1 3.55Å; E750-I1008 HydrophobicContact CG-CG1 3.82Å; E750-L1022 HydrophobicContact CG-CD1 4.07Å
751	F	93.4	Very high	95	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.013	10%	0.1	C	C	.	.			trans	-107.6	140.9	173.3	-59.2	-83.7	0	0	0	110.9	H678 F731 P747 I756 A807 L811 Y1027	H678-F751 HydrophobicContact CB-CE1 3.8Å; H678-F751 HydrophobicContact CB-CZ 4.17Å; H678-F751 AromaticContact CD2-CD1 3.52Å; H678-F751 AromaticContact CD2-CE1 3.63Å; H678-F751 AromaticContact CE1-CD1 3.63Å; H678-F751 AromaticContact CE1-CE1 3.83Å; H678-F751 AromaticContact CG-CD1 3.76Å; H678-F751 AromaticContact CG-CE1 3.38Å; H678-F751 AromaticContact ND1-CD1 3.84Å; H678-F751 AromaticContact ND1-CE1 3.54Å; H678-F751 AromaticContact NE2-CD1 3.44Å; H678-F751 WeakPolarHBondContact NE2-CD1 3.5Å; H678-F751 AromaticContact NE2-CE1 3.91Å; F731-F751 HydrophobicContact CE2-CD1 4.2Å; F731-F751 HydrophobicContact CE2-CE1 4.41Å; F731-F751 AromaticContact CZ-CD1 3.96Å; F731-F751 HydrophobicContact CZ-CD1 3.96Å; F731-F751 AromaticContact CZ-CE1 3.85Å; F731-F751 HydrophobicContact CZ-CE1 3.85Å; P747-F751 HydrophobicContact CB-CE2 4.4Å; P747-F751 HydrophobicContact CB-CZ 3.77Å; P747-F751 HydrophobicContact CG-CZ 4.37Å; F751-I756 HydrophobicContact CB-CG1 4.36Å; F751-A807 HydrophobicContact CD2-CB 4.05Å; F751-A807 HydrophobicContact CE2-CB 4.26Å; F751-L811 HydrophobicContact CB-CD1 4.41Å; F751-L811 HydrophobicContact CD1-CD1 4.25Å; F751-L811 HydrophobicContact CD1-CD2 4.09Å; F751-L811 HydrophobicContact CD2-CB 3.93Å; F751-L811 HydrophobicContact CD2-CD2 4.25Å; F751-L811 HydrophobicContact CD2-CG 4.5Å; F751-L811 HydrophobicContact CE1-CD2 3.83Å; F751-L811 HydrophobicContact CE2-CB 4.24Å; F751-L811 HydrophobicContact CE2-CD2 4.01Å; F751-L811 HydrophobicContact CG-CB 4.27Å; F751-L811 HydrophobicContact CG-CD1 4.17Å; F751-L811 HydrophobicContact CG-CD2 4.29Å; F751-L811 HydrophobicContact CG-CG 4.48Å; F751-L811 HydrophobicContact CZ-CD2 3.79Å; F751-Y1027 WeakPolarHBondContact O-CE1 3.32Å
752	F	92.9	Very high	95	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.018	10%	0.1	C	C	.	.			trans	-69.6	146.5	173.9	-69.9	-82.4	0	0	0	111.1	F677 T730 Y754 E755 I756 V1007 Y1027 Y1028	F677-F752 HydrophobicContact CE1-CE2 4.31Å; T730-F752 HydrophobicContact CG2-CD2 3.63Å; T730-F752 HydrophobicContact CG2-CE2 3.59Å; F752-Y754 HydrophobicContact CB-CD1 3.66Å; F752-Y754 HydrophobicContact CB-CE1 3.25Å; F752-Y754 HydrophobicContact CB-CE2 4.22Å; F752-Y754 HydrophobicContact CB-CG 4.28Å; F752-Y754 AromaticContact CD1-CE1 3.72Å; F752-Y754 HydrophobicContact CD1-CE1 3.72Å; F752-Y754 HydrophobicContact CD2-CE1 4.11Å; F752-Y754 AromaticContact CD2-CZ 3.81Å; F752-Y754 VanDerWaalsContact CD2-OH 3.26Å; F752-Y754 WeakPolarHBondContact CD2-OH 2.99Å; F752-Y754 HydrophobicContact CG-CD1 4.32Å; F752-Y754 AromaticContact CG-CE1 3.45Å; F752-Y754 HydrophobicContact CG-CE1 3.45Å; F752-Y754 VanDerWaalsContact CG-CE1 3.45Å; F752-Y754 AromaticContact CG-CZ 3.63Å; F752-Y754 WeakPolarHBondContact CG-OH 3.43Å; F752-Y754 PolarHBondContact O-N 3.23Å; F752-Y754 VanDerWaalsContact O-N 3.13Å; F752-E755 HydrophobicContact CB-CG 4.03Å; F752-E755 WeakPolarHBondContact CB-OE2 3.42Å; F752-E755 VanDerWaalsContact CD2-OE2 3.28Å; F752-E755 WeakPolarHBondContact CD2-OE2 3.23Å; F752-E755 PolarHBondContact N-OE2 3.08Å; F752-E755 WeakPolarHBondContact O-CB 3.03Å; F752-E755 PolarHBondContact O-N 3.42Å; F752-I756 PolarHBondContact O-N 3.32Å; F752-V1007 HydrophobicContact CD1-CG1 3.98Å; F752-V1007 HydrophobicContact CD2-CG1 4.02Å; F752-V1007 HydrophobicContact CD2-CG2 4.11Å; F752-V1007 HydrophobicContact CE1-CG1 3.93Å; F752-V1007 HydrophobicContact CE2-CB 4.14Å; F752-V1007 HydrophobicContact CE2-CG1 4Å; F752-V1007 HydrophobicContact CE2-CG2 3.65Å; F752-V1007 HydrophobicContact CG-CG1 4.03Å; F752-V1007 HydrophobicContact CZ-CB 4.1Å; F752-V1007 HydrophobicContact CZ-CG1 3.96Å; F752-V1007 HydrophobicContact CZ-CG2 4.08Å; F752-Y1027 AromaticContact CD1-CD1 3.78Å; F752-Y1027 HydrophobicContact CD1-CD1 3.78Å; F752-Y1027 HydrophobicContact CD1-CG 4.22Å; F752-Y1027 HydrophobicContact CE1-CD1 4.26Å; F752-Y1028 WeakPolarHBondContact CE1-O 3.31Å
753	P	91.4	Very high	94.9	Very high	45 Å²	45	20.5 Å²	20.5	29%	0.292	10%	0.1	S	C	.	.	H	α-helix	trans	-54.9	-36.6	178.8	-28.6	35.5	0	0	0	114.4	E755 I756 E757 Y1027	P753-E755 VanDerWaalsContact C-N 3.31Å; P753-E755 PolarHBondContact O-N 2.81Å; P753-I756 WeakPolarHBondContact O-CB 3.35Å; P753-I756 PolarHBondContact O-N 2.76Å; P753-E757 PolarHBondContact O-N 3.46Å; P753-Y1027 HydrophobicContact CG-CD2 4.26Å; P753-Y1027 HydrophobicContact CG-CE2 3.94Å
754	Y	91.6	Very high	94.7	Very high	65 Å²	65	20.7 Å²	20.7	26%	0.255	10%	0.102	S	C	.	.	H	α-helix	trans	-72.5	-23.6	178.4	63.9	-97.8	0	0	0	113.2	T730 D732 F752 K758	T730-Y754 VanDerWaalsContact CG2-OH 3.28Å; T730-Y754 WeakPolarHBondContact CG2-OH 3.15Å; D732-Y754 HydrophobicContact CB-CD2 4.48Å; D732-Y754 HydrophobicContact CB-CE2 4.43Å; F752-Y754 HydrophobicContact CB-CD1 3.66Å; F752-Y754 HydrophobicContact CB-CE1 3.25Å; F752-Y754 HydrophobicContact CB-CE2 4.22Å; F752-Y754 HydrophobicContact CB-CG 4.28Å; F752-Y754 AromaticContact CD1-CE1 3.72Å; F752-Y754 HydrophobicContact CD1-CE1 3.72Å; F752-Y754 HydrophobicContact CD2-CE1 4.11Å; F752-Y754 AromaticContact CD2-CZ 3.81Å; F752-Y754 VanDerWaalsContact CD2-OH 3.26Å; F752-Y754 WeakPolarHBondContact CD2-OH 2.99Å; F752-Y754 HydrophobicContact CG-CD1 4.32Å; F752-Y754 AromaticContact CG-CE1 3.45Å; F752-Y754 HydrophobicContact CG-CE1 3.45Å; F752-Y754 VanDerWaalsContact CG-CE1 3.45Å; F752-Y754 AromaticContact CG-CZ 3.63Å; F752-Y754 WeakPolarHBondContact CG-OH 3.43Å; F752-Y754 PolarHBondContact O-N 3.23Å; F752-Y754 VanDerWaalsContact O-N 3.13Å; Y754-K758 VanDerWaalsContact O-CB 3.27Å; Y754-K758 WeakPolarHBondContact O-CB 3.23Å; Y754-K758 PolarHBondContact O-N 2.79Å
755	E	94.4	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-71.9	-38.5	174.5	-68.3	-178.5	113.9	0	0	111	H678 T730 F731 F752 P753 K758 L759	H678-E755 IonicContact CE1-OE1 3.86Å; H678-E755 PolarHBondContact CE1-OE1 3.39Å; H678-E755 VanDerWaalsContact CE1-OE1 3.29Å; H678-E755 IonicContact CE1-OE2 3.6Å; H678-E755 IonicContact NE2-OE1 3.32Å; H678-E755 IonicContact NE2-OE2 2.84Å; H678-E755 PolarHBondContact NE2-OE2 2.95Å; T730-E755 WeakPolarHBondContact CA-OE1 3.24Å; T730-E755 VanDerWaalsContact CB-OE1 3.25Å; T730-E755 WeakPolarHBondContact CB-OE1 3.17Å; F731-E755 HydrophobicContact CB-CB 4.16Å; F731-E755 HydrophobicContact CB-CG 4.02Å; F731-E755 HydrophobicContact CD2-CB 3.71Å; F731-E755 HydrophobicContact CD2-CG 4.31Å; F731-E755 HydrophobicContact CE2-CB 4.35Å; F731-E755 HydrophobicContact CG-CB 4.07Å; F731-E755 HydrophobicContact CG-CG 4.17Å; F731-E755 PolarHBondContact N-OE1 3.06Å; F752-E755 HydrophobicContact CB-CG 4.03Å; F752-E755 WeakPolarHBondContact CB-OE2 3.42Å; F752-E755 VanDerWaalsContact CD2-OE2 3.28Å; F752-E755 WeakPolarHBondContact CD2-OE2 3.23Å; F752-E755 PolarHBondContact N-OE2 3.08Å; F752-E755 WeakPolarHBondContact O-CB 3.03Å; F752-E755 PolarHBondContact O-N 3.42Å; P753-E755 VanDerWaalsContact C-N 3.31Å; P753-E755 PolarHBondContact O-N 2.81Å; E755-K758 PolarHBondContact O-N 2.97Å; E755-L759 WeakPolarHBondContact O-CB 3.25Å; E755-L759 PolarHBondContact O-N 3.04Å
756	I	95.2	Very high	94.3	Very high	27 Å²	27	30.2 Å²	30.2	14%	0.138	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-50.2	174.7	-55.4	176.6	0	0	0	110	F751 F752 P753 K758 L759 F760 D810 L811 P814	F751-I756 HydrophobicContact CB-CG1 4.36Å; F752-I756 PolarHBondContact O-N 3.32Å; P753-I756 WeakPolarHBondContact O-CB 3.35Å; P753-I756 PolarHBondContact O-N 2.76Å; I756-K758 PolarHBondContact O-N 2.72Å; I756-L759 PolarHBondContact O-N 3.33Å; I756-F760 WeakPolarHBondContact O-CB 3.49Å; I756-F760 PolarHBondContact O-N 3.48Å; I756-F760 VanDerWaalsContact O-N 3.12Å; I756-D810 HydrophobicContact CD1-CB 4.15Å; I756-L811 HydrophobicContact CB-CD1 4.45Å; I756-L811 HydrophobicContact CG1-CD1 4Å; I756-P814 HydrophobicContact CG2-CG 3.58Å
757	E	94.7	Very high	94.1	Very high	136 Å²	136	30.6 Å²	30.6	64%	0.636	15%	0.149	S	C	*	.	H	α-helix	trans	-60.6	-46	176.4	-68.5	179.1	179.9	0	0	111.7	P753 F760 V761	P753-E757 PolarHBondContact O-N 3.46Å; E757-F760 PolarHBondContact O-N 3.48Å; E757-V761 WeakPolarHBondContact O-CG2 3.44Å; E757-V761 PolarHBondContact O-N 2.91Å; E757-V761 VanDerWaalsContact O-N 3.1Å
758	K	95.8	Very high	94.2	Very high	36 Å²	36	30.5 Å²	30.5	16%	0.157	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-46	-179.7	174.7	172.2	166.7	61.1	0	112.3	F731 D732 F734 Y754 E755 I756 F760 V761 D762	F731-K758 HydrophobicContact CB-CD 4.26Å; F731-K758 WeakPolarHBondContact O-CD 3.37Å; F731-K758 WeakPolarHBondContact O-CE 3.43Å; D732-K758 VanDerWaalsContact CA-CE 3.41Å; D732-K758 HydrophobicContact CB-CD 3.82Å; F734-K758 PolarHBondContact O-NZ 3.49Å; Y754-K758 VanDerWaalsContact O-CB 3.27Å; Y754-K758 WeakPolarHBondContact O-CB 3.23Å; Y754-K758 PolarHBondContact O-N 2.79Å; E755-K758 PolarHBondContact O-N 2.97Å; I756-K758 PolarHBondContact O-N 2.72Å; K758-F760 VanDerWaalsContact C-N 3.26Å; K758-F760 PolarHBondContact O-N 3.3Å; K758-V761 PolarHBondContact O-N 2.79Å; K758-D762 WeakPolarHBondContact CE-OD2 3.31Å; K758-D762 WeakPolarHBondContact CG-OD2 3.09Å; K758-D762 IonicContact NZ-OD1 2.75Å; K758-D762 PolarHBondContact NZ-OD1 2.69Å; K758-D762 IonicContact NZ-OD2 2.86Å; K758-D762 PolarHBondContact NZ-OD2 3.02Å; K758-D762 WeakPolarHBondContact O-CB 3.28Å; K758-D762 PolarHBondContact O-N 3.4Å
759	L	97.9	Very high	94.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-42	180	-179.4	62.7	0	0	0	110.1	F731 F742 E755 I756 V761 D762 V763 L768 L770 L811	F731-L759 HydrophobicContact CD2-CB 4.15Å; F731-L759 HydrophobicContact CE2-CB 4.47Å; F731-L759 HydrophobicContact CE2-CD2 4.18Å; F742-L759 HydrophobicContact CD1-CD1 3.79Å; F742-L759 HydrophobicContact CE1-CD1 4.17Å; E755-L759 WeakPolarHBondContact O-CB 3.25Å; E755-L759 PolarHBondContact O-N 3.04Å; I756-L759 PolarHBondContact O-N 3.33Å; L759-V761 PolarHBondContact O-N 2.85Å; L759-D762 PolarHBondContact O-N 3.37Å; L759-V763 HydrophobicContact CD1-CG2 4.05Å; L759-V763 HydrophobicContact CG-CG2 4.37Å; L759-V763 WeakPolarHBondContact O-CB 3.27Å; L759-V763 VanDerWaalsContact O-CG2 3.26Å; L759-V763 WeakPolarHBondContact O-CG2 3.42Å; L759-V763 PolarHBondContact O-N 2.93Å; L759-L768 HydrophobicContact CD1-CD2 4.35Å; L759-L770 HydrophobicContact CD1-CD1 4.41Å; L759-L770 HydrophobicContact CD2-CD1 4.42Å; L759-L770 HydrophobicContact CD2-CD2 4Å; L759-L811 HydrophobicContact CB-CD1 4.49Å; L759-L811 HydrophobicContact CD2-CD1 3.64Å; L759-L811 HydrophobicContact CD2-CD2 3.92Å; L759-L811 HydrophobicContact CD2-CG 3.79Å
760	F	97.5	Very high	94.7	Very high	46 Å²	46	30.2 Å²	30.2	20%	0.202	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-48.5	175.8	-173.5	-104.9	0	0	0	112.2	I756 E757 K758 V763 T764 P814 F815 I851 A852	I756-F760 WeakPolarHBondContact O-CB 3.49Å; I756-F760 PolarHBondContact O-N 3.48Å; I756-F760 VanDerWaalsContact O-N 3.12Å; E757-F760 PolarHBondContact O-N 3.48Å; K758-F760 VanDerWaalsContact C-N 3.26Å; K758-F760 PolarHBondContact O-N 3.3Å; F760-V763 PolarHBondContact O-N 3.26Å; F760-T764 HydrophobicContact CD2-CG2 4.26Å; F760-T764 HydrophobicContact CE1-CG2 4.18Å; F760-T764 HydrophobicContact CE2-CG2 3.92Å; F760-T764 HydrophobicContact CZ-CG2 3.89Å; F760-T764 WeakPolarHBondContact O-CB 3.46Å; F760-T764 WeakPolarHBondContact O-CG2 3.47Å; F760-T764 PolarHBondContact O-N 3.44Å; F760-T764 PolarHBondContact O-OG1 2.65Å; F760-P814 HydrophobicContact CB-CB 4.16Å; F760-P814 HydrophobicContact CD2-CB 3.37Å; F760-P814 HydrophobicContact CE2-CB 3.82Å; F760-P814 VanDerWaalsContact CE2-O 3.3Å; F760-P814 WeakPolarHBondContact CE2-O 3.43Å; F760-P814 HydrophobicContact CG-CB 3.81Å; F760-F815 HydrophobicContact CB-CZ 4.3Å; F760-F815 AromaticContact CD2-CD1 3.81Å; F760-F815 HydrophobicContact CD2-CD1 3.81Å; F760-F815 HydrophobicContact CD2-CD2 4.44Å; F760-F815 AromaticContact CD2-CE1 3.53Å; F760-F815 HydrophobicContact CD2-CE1 3.53Å; F760-F815 HydrophobicContact CD2-CE2 4.21Å; F760-F815 HydrophobicContact CD2-CG 4.27Å; F760-F815 AromaticContact CD2-CZ 3.78Å; F760-F815 HydrophobicContact CD2-CZ 3.78Å; F760-F815 AromaticContact CE2-CD1 3.95Å; F760-F815 HydrophobicContact CE2-CD1 3.95Å; F760-F815 HydrophobicContact CE2-CE1 4.02Å; F760-F815 HydrophobicContact CG-CZ 4.49Å; F760-I851 HydrophobicContact CE2-CG2 3.87Å; F760-I851 HydrophobicContact CZ-CG2 4.3Å; F760-A852 HydrophobicContact CE1-CB 4.47Å; F760-A852 HydrophobicContact CZ-CB 3.96Å
761	V	96.4	Very high	95	Very high	50 Å²	50	30.1 Å²	30.1	30%	0.303	15%	0.147	S	C	.	.	H	α-helix	trans	-64.1	-45.7	177.2	170.9	0	0	0	0	111.4	E757 K758 L759 V763 T764 E765	E757-V761 WeakPolarHBondContact O-CG2 3.44Å; E757-V761 PolarHBondContact O-N 2.91Å; E757-V761 VanDerWaalsContact O-N 3.1Å; K758-V761 PolarHBondContact O-N 2.79Å; L759-V761 PolarHBondContact O-N 2.85Å; V761-V763 VanDerWaalsContact C-N 3.28Å; V761-V763 PolarHBondContact O-N 2.87Å; V761-T764 PolarHBondContact O-N 3.46Å; V761-E765 HydrophobicContact CG1-CB 4.37Å; V761-E765 HydrophobicContact CG1-CG 4.36Å; V761-E765 WeakPolarHBondContact O-CA 3.34Å; V761-E765 WeakPolarHBondContact O-CB 3.49Å; V761-E765 PolarHBondContact O-N 2.61Å
762	D	97.4	Very high	95.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-33.4	-177.7	-78	-13.8	0	0	0	112.3	A736 K758 L759 K766 G767 L768	A736-D762 HydrophobicContact CB-CB 3.5Å; A736-D762 WeakPolarHBondContact CB-OD2 3.13Å; K758-D762 WeakPolarHBondContact CE-OD2 3.31Å; K758-D762 WeakPolarHBondContact CG-OD2 3.09Å; K758-D762 IonicContact NZ-OD1 2.75Å; K758-D762 PolarHBondContact NZ-OD1 2.69Å; K758-D762 IonicContact NZ-OD2 2.86Å; K758-D762 PolarHBondContact NZ-OD2 3.02Å; K758-D762 WeakPolarHBondContact O-CB 3.28Å; K758-D762 PolarHBondContact O-N 3.4Å; L759-D762 PolarHBondContact O-N 3.37Å; D762-K766 CarbonylContact O-C 3.59Å; D762-K766 WeakPolarHBondContact O-CA 3.1Å; D762-K766 WeakPolarHBondContact O-CB 3.39Å; D762-K766 PolarHBondContact O-N 2.95Å; D762-K766 WeakPolarHBondContact OD1-CD 3.32Å; D762-K766 WeakPolarHBondContact OD1-CE 2.98Å; D762-K766 IonicContact OD1-NZ 3.46Å; D762-K766 PolarHBondContact OD1-NZ 2.83Å; D762-G767 PolarHBondContact O-N 3.03Å; D762-L768 HydrophobicContact CB-CB 4.45Å; D762-L768 HydrophobicContact CB-CD2 4.1Å; D762-L768 VanDerWaalsContact O-CB 3.31Å; D762-L768 WeakPolarHBondContact O-CB 3.19Å; D762-L768 PolarHBondContact O-N 3.38Å; D762-L768 VanDerWaalsContact O-N 3.09Å
763	V	96.2	Very high	95.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-74.1	-50.2	172.9	174.5	0	0	0	0	111.3	L759 F760 V761 L768 L770 F815 M930 G931 L933	L759-V763 HydrophobicContact CD1-CG2 4.05Å; L759-V763 HydrophobicContact CG-CG2 4.37Å; L759-V763 WeakPolarHBondContact O-CB 3.27Å; L759-V763 VanDerWaalsContact O-CG2 3.26Å; L759-V763 WeakPolarHBondContact O-CG2 3.42Å; L759-V763 PolarHBondContact O-N 2.93Å; F760-V763 PolarHBondContact O-N 3.26Å; V761-V763 VanDerWaalsContact C-N 3.28Å; V761-V763 PolarHBondContact O-N 2.87Å; V763-L768 WeakPolarHBondContact CA-O 3.12Å; V763-L768 WeakPolarHBondContact CG2-O 3.26Å; V763-L770 HydrophobicContact CG2-CB 4.26Å; V763-F815 HydrophobicContact CB-CE1 3.78Å; V763-F815 HydrophobicContact CB-CZ 3.81Å; V763-F815 HydrophobicContact CG1-CE1 3.67Å; V763-F815 HydrophobicContact CG1-CZ 4.12Å; V763-F815 HydrophobicContact CG2-CE1 4.26Å; V763-F815 HydrophobicContact CG2-CZ 3.84Å; V763-M930 HydrophobicContact CG1-CE 4.05Å; V763-M930 CarbonylContact O-C 3.53Å; V763-M930 WeakPolarHBondContact O-CA 3.4Å; V763-G931 PolarHBondContact O-N 3.1Å; V763-L933 HydrophobicContact CG1-CD2 3.84Å
764	T	93.9	Very high	95.7	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-74.5	-38.1	-172.6	52.5	0	0	0	0	113.4	F760 V761 F815 I851 H854 M930	F760-T764 HydrophobicContact CD2-CG2 4.26Å; F760-T764 HydrophobicContact CE1-CG2 4.18Å; F760-T764 HydrophobicContact CE2-CG2 3.92Å; F760-T764 HydrophobicContact CZ-CG2 3.89Å; F760-T764 WeakPolarHBondContact O-CB 3.46Å; F760-T764 WeakPolarHBondContact O-CG2 3.47Å; F760-T764 PolarHBondContact O-N 3.44Å; F760-T764 PolarHBondContact O-OG1 2.65Å; V761-T764 PolarHBondContact O-N 3.46Å; T764-F815 HydrophobicContact CG2-CE1 4.49Å; T764-I851 HydrophobicContact CG2-CG2 4.49Å; T764-H854 PolarHBondContact O-NE2 3.23Å; T764-M930 HydrophobicContact CG2-CE 3.77Å; T764-M930 HydrophobicContact CG2-SD 3.91Å; T764-M930 WeakPolarHBondContact O-CA 3.09Å
765	E	92.1	Very high	95.8	Very high	124 Å²	124	24.6 Å²	24.6	58%	0.579	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-28	-172	-58	-177.4	-174.9	0	0	113.9	V761	V761-E765 HydrophobicContact CG1-CB 4.37Å; V761-E765 HydrophobicContact CG1-CG 4.36Å; V761-E765 WeakPolarHBondContact O-CA 3.34Å; V761-E765 WeakPolarHBondContact O-CB 3.49Å; V761-E765 PolarHBondContact O-N 2.61Å
766	K	92.5	Very high	95.9	Very high	78 Å²	78	24.6 Å²	24.6	34%	0.339	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	0.6	-177.3	-58.4	-174.9	-168.9	151	0	114.5	R668 A736 D762 L768	R668-K766 PolarHBondContact NH2-O 2.99Å; A736-K766 HydrophobicContact CB-CB 4.34Å; A736-K766 HydrophobicContact CB-CD 4.16Å; D762-K766 CarbonylContact O-C 3.59Å; D762-K766 WeakPolarHBondContact O-CA 3.1Å; D762-K766 WeakPolarHBondContact O-CB 3.39Å; D762-K766 PolarHBondContact O-N 2.95Å; D762-K766 WeakPolarHBondContact OD1-CD 3.32Å; D762-K766 WeakPolarHBondContact OD1-CE 2.98Å; D762-K766 IonicContact OD1-NZ 3.46Å; D762-K766 PolarHBondContact OD1-NZ 2.83Å; K766-L768 VanDerWaalsContact C-N 3.31Å; K766-L768 PolarHBondContact O-N 2.72Å
767	G	91.6	Very high	95.8	Very high	8 Å²	8	23.6 Å²	23.6	8%	0.082	11%	0.114	C	C	.	.			trans	68.8	25.6	175.5	0	0	0	0	0	115.8	R668 D762 S769 E929	R668-G767 PolarHBondContact NH1-O 3.38Å; R668-G767 PolarHBondContact NH2-O 3.3Å; D762-G767 PolarHBondContact O-N 3.03Å; G767-S769 PolarHBondContact O-N 2.73Å; G767-E929 WeakPolarHBondContact CA-O 3.5Å; G767-E929 PolarHBondContact N-O 2.83Å
768	L	95.9	Very high	95.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.			trans	-69.4	120.5	170	-173.6	65.1	0	0	0	108.9	F734 A736 Y739 F742 L759 D762 V763 K766 G931	F734-L768 HydrophobicContact CE2-CD2 4.03Å; F734-L768 HydrophobicContact CZ-CD2 4.12Å; A736-L768 HydrophobicContact CB-CB 4.14Å; A736-L768 HydrophobicContact CB-CD1 4.48Å; A736-L768 HydrophobicContact CB-CD2 3.95Å; A736-L768 HydrophobicContact CB-CG 4.44Å; Y739-L768 WeakPolarHBondContact O-CD1 3.16Å; F742-L768 HydrophobicContact CB-CD1 4.02Å; F742-L768 HydrophobicContact CB-CD2 3.82Å; F742-L768 HydrophobicContact CB-CG 3.96Å; F742-L768 HydrophobicContact CD1-CD2 4.41Å; F742-L768 HydrophobicContact CG-CD2 4.37Å; L759-L768 HydrophobicContact CD1-CD2 4.35Å; D762-L768 HydrophobicContact CB-CB 4.45Å; D762-L768 HydrophobicContact CB-CD2 4.1Å; D762-L768 VanDerWaalsContact O-CB 3.31Å; D762-L768 WeakPolarHBondContact O-CB 3.19Å; D762-L768 PolarHBondContact O-N 3.38Å; D762-L768 VanDerWaalsContact O-N 3.09Å; V763-L768 WeakPolarHBondContact CA-O 3.12Å; V763-L768 WeakPolarHBondContact CG2-O 3.26Å; K766-L768 VanDerWaalsContact C-N 3.31Å; K766-L768 PolarHBondContact O-N 2.72Å; L768-G931 WeakPolarHBondContact O-CA 3.47Å
769	S	96.9	Very high	95.5	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.021	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	142.3	171.8	-62.8	0	0	0	0	110.2	G740 T741 F742 G767 R932 S962	G740-S769 WeakPolarHBondContact O-CB 3.18Å; G740-S769 PolarHBondContact O-N 2.89Å; T741-S769 CarbonylContact C-O 3.58Å; T741-S769 VanDerWaalsContact CA-O 3.32Å; T741-S769 WeakPolarHBondContact CA-O 3.33Å; F742-S769 PolarHBondContact N-O 3.43Å; G767-S769 PolarHBondContact O-N 2.73Å; S769-R932 CarbonylContact C-O 3.48Å; S769-R932 VanDerWaalsContact CA-O 3.29Å; S769-R932 WeakPolarHBondContact CA-O 3.28Å; S769-R932 WeakPolarHBondContact CB-O 3.35Å; S769-R932 PolarHBondContact OG-N 3.01Å; S769-S962 PolarHBondContact OG-O 2.75Å
770	L	98.1	Very high	95.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.4	-177.5	179.4	64.7	0	0	0	109.6	F742 I744 L759 V763 V772 L812 R932 L933 S934	F742-L770 HydrophobicContact CB-CD1 4.47Å; F742-L770 HydrophobicContact CD1-CD1 4.02Å; I744-L770 HydrophobicContact CD1-CD1 3.92Å; I744-L770 HydrophobicContact CG1-CD1 4.21Å; L759-L770 HydrophobicContact CD1-CD1 4.41Å; L759-L770 HydrophobicContact CD2-CD1 4.42Å; L759-L770 HydrophobicContact CD2-CD2 4Å; V763-L770 HydrophobicContact CG2-CB 4.26Å; L770-V772 HydrophobicContact CD1-CG2 4.05Å; L770-V772 HydrophobicContact CD2-CG2 4.08Å; L770-V772 HydrophobicContact CG-CG2 3.84Å; L770-L812 HydrophobicContact CD2-CD2 3.9Å; L770-R932 PolarHBondContact N-O 3.19Å; L770-L933 HydrophobicContact CB-CD2 3.81Å; L770-L933 HydrophobicContact CD2-CD2 4.22Å; L770-L933 WeakPolarHBondContact O-CA 3.35Å; L770-S934 PolarHBondContact O-N 3.13Å
771	I	98.5	Very high	94.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.8	170.7	-59	-177.8	0	0	0	107.6	T741 F742 L743 I744 F773 S934 L955 L958 L959	T741-I771 HydrophobicContact CG2-CB 4.37Å; T741-I771 HydrophobicContact CG2-CD1 3.65Å; T741-I771 HydrophobicContact CG2-CG1 3.76Å; F742-I771 PolarHBondContact O-N 3.05Å; L743-I771 WeakPolarHBondContact CA-O 3.38Å; L743-I771 HydrophobicContact CD1-CB 3.84Å; L743-I771 HydrophobicContact CD1-CG2 3.71Å; I744-I771 PolarHBondContact N-O 3.38Å; I771-F773 HydrophobicContact CG2-CD2 3.88Å; I771-F773 HydrophobicContact CG2-CE2 3.55Å; I771-S934 CarbonylContact C-O 3.45Å; I771-S934 VanDerWaalsContact CA-O 3.32Å; I771-S934 WeakPolarHBondContact CA-O 3.3Å; I771-L955 HydrophobicContact CD1-CD1 4.36Å; I771-L955 HydrophobicContact CG2-CD1 4.2Å; I771-L958 HydrophobicContact CD1-CB 3.95Å; I771-L958 HydrophobicContact CG2-CD1 4.18Å; I771-L959 HydrophobicContact CD1-CD2 3.79Å; I771-L959 HydrophobicContact CD1-CG 4.11Å
772	V	98.6	Very high	94.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.6	179.3	-178.1	0	0	0	0	109.5	I744 L770 L808 L812 S934 I935 Y936	I744-V772 HydrophobicContact CB-CG2 4.36Å; I744-V772 CarbonylContact O-C 3.59Å; I744-V772 VanDerWaalsContact O-CA 3.26Å; I744-V772 WeakPolarHBondContact O-CA 3.38Å; L770-V772 HydrophobicContact CD1-CG2 4.05Å; L770-V772 HydrophobicContact CD2-CG2 4.08Å; L770-V772 HydrophobicContact CG-CG2 3.84Å; V772-L808 HydrophobicContact CG1-CD1 3.96Å; V772-L808 HydrophobicContact CG1-CD2 3.84Å; V772-L808 HydrophobicContact CG1-CG 4.4Å; V772-L812 HydrophobicContact CG2-CD2 4.37Å; V772-S934 PolarHBondContact N-O 3.48Å; V772-I935 HydrophobicContact CB-CD1 3.67Å; V772-I935 HydrophobicContact CB-CG2 4.43Å; V772-I935 HydrophobicContact CG2-CD1 3.55Å; V772-Y936 PolarHBondContact O-N 3.42Å
773	F	97.6	Very high	93.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.6	164	-74.8	-115.3	0	0	0	106.2	I744 I745 D746 I771 Y936 D938 L942 L955 L958	I744-F773 PolarHBondContact O-N 2.9Å; I745-F773 WeakPolarHBondContact CA-O 3.47Å; I745-F773 HydrophobicContact CB-CB 4.35Å; I745-F773 HydrophobicContact CG1-CB 4.08Å; I745-F773 HydrophobicContact CG1-CD2 4.37Å; I745-F773 HydrophobicContact CG1-CG 4.44Å; I745-F773 HydrophobicContact CG2-CB 4.04Å; D746-F773 PolarHBondContact N-O 3.34Å; D746-F773 VanDerWaalsContact N-O 3.09Å; I771-F773 HydrophobicContact CG2-CD2 3.88Å; I771-F773 HydrophobicContact CG2-CE2 3.55Å; F773-Y936 WeakPolarHBondContact CA-O 3.06Å; F773-Y936 AromaticContact CD1-CD1 3.44Å; F773-Y936 HydrophobicContact CD1-CD1 3.44Å; F773-Y936 VanDerWaalsContact CD1-CD1 3.44Å; F773-Y936 HydrophobicContact CD1-CE1 4.14Å; F773-Y936 HydrophobicContact CD1-CG 4.35Å; F773-Y936 AromaticContact CE1-CD1 3.42Å; F773-Y936 HydrophobicContact CE1-CD1 3.42Å; F773-Y936 VanDerWaalsContact CE1-CD1 3.42Å; F773-Y936 AromaticContact CE1-CE1 3.99Å; F773-Y936 HydrophobicContact CE1-CE1 3.99Å; F773-Y936 HydrophobicContact CE1-CG 4.2Å; F773-Y936 HydrophobicContact CG-CD1 4.28Å; F773-Y936 HydrophobicContact CZ-CD1 4.3Å; F773-D938 VanDerWaalsContact CD1-O 3.24Å; F773-D938 WeakPolarHBondContact CD1-O 3.38Å; F773-L942 HydrophobicContact CB-CD1 4.34Å; F773-L942 HydrophobicContact CD1-CD1 3.35Å; F773-L942 HydrophobicContact CD1-CG 3.88Å; F773-L942 HydrophobicContact CD2-CD1 3.94Å; F773-L942 HydrophobicContact CE1-CD1 3.55Å; F773-L942 HydrophobicContact CE1-CD2 4.19Å; F773-L942 HydrophobicContact CE1-CG 3.86Å; F773-L942 HydrophobicContact CE2-CD1 4.08Å; F773-L942 HydrophobicContact CG-CD1 3.61Å; F773-L942 HydrophobicContact CZ-CD1 3.92Å; F773-L955 HydrophobicContact CE2-CD1 3.83Å; F773-L955 HydrophobicContact CZ-CB 4.41Å; F773-L955 HydrophobicContact CZ-CD1 4.19Å; F773-L958 HydrophobicContact CE2-CD1 3.84Å; F773-L958 HydrophobicContact CZ-CD1 3.79Å
774	A	96.5	Very high	92.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.			trans	-90	-172.9	173.7	0	0	0	0	0	109.7	L805 L808 F819 Y936 G937 D938 S939	A774-L805 HydrophobicContact CB-CD2 3.7Å; A774-L808 HydrophobicContact CB-CD2 3.54Å; A774-F819 HydrophobicContact CB-CE1 3.99Å; A774-F819 HydrophobicContact CB-CE2 3.83Å; A774-F819 HydrophobicContact CB-CZ 3.49Å; A774-F819 VanDerWaalsContact CB-CZ 3.49Å; A774-Y936 PolarHBondContact N-O 3.48Å; A774-G937 CarbonylContact O-C 3.5Å; A774-G937 VanDerWaalsContact O-C 3.25Å; A774-D938 CarbonylContact O-C 2.77Å; A774-D938 WeakPolarHBondContact O-CA 3.43Å; A774-D938 PolarHBondContact O-N 3.38Å; A774-D938 VanDerWaalsContact O-N 3.08Å; A774-S939 WeakPolarHBondContact O-CB 3.27Å; A774-S939 PolarHBondContact O-N 3Å
775	D	94.9	Very high	92.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.			trans	-143.6	-165.9	173.3	-143.5	-73.5	0	0	0	110	D746 S803 L805 S841 S939	D746-D775 VanDerWaalsContact OD1-CB 3.29Å; D746-D775 WeakPolarHBondContact OD1-CB 3.38Å; D775-S803 WeakPolarHBondContact CA-OG 3.25Å; D775-S803 PolarHBondContact N-OG 3.45Å; D775-S803 PolarHBondContact O-OG 2.9Å; D775-L805 WeakPolarHBondContact O-CD1 3.35Å; D775-S841 VanDerWaalsContact O-CB 3.26Å; D775-S841 WeakPolarHBondContact O-CB 3.21Å; D775-S841 PolarHBondContact O-OG 2.71Å; D775-S841 VanDerWaalsContact O-OG 3.05Å; D775-S939 WeakPolarHBondContact OD2-CB 3.02Å; D775-S939 PolarHBondContact OD2-N 3.38Å; D775-S939 VanDerWaalsContact OD2-N 3.1Å
776	W	95	Very high	91.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.			trans	-72.6	151.9	176.8	61.2	-77.3	0	0	0	113.7	P688 R689 D690 L692 V781 M782 L785 G802 S803 V823 S839	P688-W776 HydrophobicContact CB-CH2 4.4Å; P688-W776 HydrophobicContact CB-CZ2 3.92Å; P688-W776 HydrophobicContact CG-CH2 4.07Å; P688-W776 HydrophobicContact CG-CZ2 4.03Å; R689-W776 PolarHBondContact O-NE1 2.87Å; D690-W776 PolarHBondContact O-NE1 3.21Å; L692-W776 HydrophobicContact CD1-CD2 4Å; L692-W776 HydrophobicContact CD1-CE3 4.32Å; L692-W776 HydrophobicContact CD1-CG 4.29Å; L692-W776 HydrophobicContact CD2-CD2 4.36Å; L692-W776 HydrophobicContact CD2-CH2 4.16Å; L692-W776 HydrophobicContact CD2-CZ2 3.53Å; L692-W776 HydrophobicContact CG-CD2 4.31Å; L692-W776 HydrophobicContact CG-CZ2 4.32Å; W776-V781 HydrophobicContact CE3-CG1 4.37Å; W776-V781 HydrophobicContact CZ3-CB 4.28Å; W776-V781 HydrophobicContact CZ3-CG1 3.99Å; W776-M782 HydrophobicContact CH2-CG 3.97Å; W776-M782 HydrophobicContact CZ3-CG 3.71Å; W776-L785 HydrophobicContact CH2-CD1 3.47Å; W776-L785 VanDerWaalsContact CH2-CD1 3.47Å; W776-L785 HydrophobicContact CZ2-CD1 3.92Å; W776-L785 HydrophobicContact CZ3-CD1 4.26Å; W776-G802 VanDerWaalsContact CE2-N 3.33Å; W776-G802 PolarHBondContact O-N 3.12Å; W776-S803 PolarHBondContact O-N 2.85Å; W776-V823 HydrophobicContact CB-CB 4.29Å; W776-V823 HydrophobicContact CB-CG1 3.66Å; W776-V823 HydrophobicContact CB-CG2 3.78Å; W776-V823 HydrophobicContact CE3-CG2 4.35Å; W776-V823 HydrophobicContact CG-CG1 4.19Å; W776-S839 WeakPolarHBondContact CB-O 3.03Å; W776-S839 PolarHBondContact N-O 3.13Å
777	Y	94.2	Very high	90	Very high	6 Å²	6	23.6 Å²	23.6	2%	0.024	12%	0.121	C	C	.	.			trans	-150.4	118.1	161.2	-171.1	-81.4	0	0	0	109.9	T779 M782 T800 G801 S803 L805 P806 D821 P993 L994 R995 A996	Y777-T779 HydrophobicContact CE1-CG2 3.9Å; Y777-M782 HydrophobicContact CD2-SD 4.44Å; Y777-M782 HydrophobicContact CE1-SD 4.33Å; Y777-M782 HydrophobicContact CE2-SD 4.14Å; Y777-T800 WeakPolarHBondContact CE2-OG1 3.18Å; Y777-G801 VanDerWaalsContact CD2-N 3.35Å; Y777-S803 WeakPolarHBondContact CD2-O 3.23Å; Y777-L805 VanDerWaalsContact CB-CG 3.48Å; Y777-L805 HydrophobicContact CG-CB 4.23Å; Y777-P806 HydrophobicContact CD1-CG 4.03Å; Y777-P806 HydrophobicContact CE1-CG 3.56Å; Y777-P806 HydrophobicContact CE2-CG 4.22Å; Y777-D821 WeakPolarHBondContact O-CA 3.48Å; Y777-P993 HydrophobicContact CD1-CB 3.62Å; Y777-P993 HydrophobicContact CE1-CB 4.21Å; Y777-P993 HydrophobicContact CG-CB 4.44Å; Y777-L994 VanDerWaalsContact CE1-O 3.32Å; Y777-L994 WeakPolarHBondContact CE1-O 3.42Å; Y777-R995 WeakPolarHBondContact OH-CA 3.28Å; Y777-A996 PolarHBondContact OH-N 3.4Å; Y777-A996 VanDerWaalsContact OH-N 3.1Å
778	N	93.5	Very high	88	Confident	16 Å²	16	27.7 Å²	27.7	9%	0.086	13%	0.134	C	C	.	.			trans	-148.2	117.8	174.2	-174.8	-66.2	0	0	0	110.4	S780 V781 M782 D821 V823	N778-S780 VanDerWaalsContact C-N 3.27Å; N778-S780 PolarHBondContact O-N 2.98Å; N778-S780 WeakPolarHBondContact OD1-CA 3.34Å; N778-S780 WeakPolarHBondContact OD1-CB 3.22Å; N778-S780 PolarHBondContact OD1-N 2.73Å; N778-V781 HydrophobicContact CB-CB 3.92Å; N778-V781 HydrophobicContact CB-CG2 3.75Å; N778-V781 PolarHBondContact O-N 2.89Å; N778-V781 VanDerWaalsContact O-N 3.17Å; N778-V781 PolarHBondContact OD1-N 3.35Å; N778-M782 VanDerWaalsContact O-CG 3.24Å; N778-M782 WeakPolarHBondContact O-CG 3.37Å; N778-M782 PolarHBondContact O-N 3.48Å; N778-D821 VanDerWaalsContact CB-O 3.3Å; N778-D821 WeakPolarHBondContact CB-O 3.46Å; N778-D821 PolarHBondContact ND2-O 3.02Å; N778-V823 HydrophobicContact CB-CG2 3.7Å
779	T	90.2	Very high	85.5	Confident	45 Å²	45	28.3 Å²	28.3	28%	0.276	14%	0.138	S	C	.	.	H	α-helix	trans	-64.5	-29.2	-175.5	60.6	0	0	0	0	113.8	Y777 Q783 L994 A996	Y777-T779 HydrophobicContact CE1-CG2 3.9Å; T779-Q783 WeakPolarHBondContact O-CB 3.24Å; T779-Q783 VanDerWaalsContact O-CG 3.23Å; T779-Q783 WeakPolarHBondContact O-CG 3.35Å; T779-Q783 PolarHBondContact O-N 3.31Å; T779-L994 WeakPolarHBondContact CG2-O 3.46Å; T779-A996 HydrophobicContact CG2-CB 4.32Å
780	S	90.3	Very high	82.4	Confident	52 Å²	52	31.9 Å²	31.9	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-73.9	-40.7	174.9	-61.4	0	0	0	0	111.4	N778 Q783 S784	N778-S780 VanDerWaalsContact C-N 3.27Å; N778-S780 PolarHBondContact O-N 2.98Å; N778-S780 WeakPolarHBondContact OD1-CA 3.34Å; N778-S780 WeakPolarHBondContact OD1-CB 3.22Å; N778-S780 PolarHBondContact OD1-N 2.73Å; S780-Q783 WeakPolarHBondContact O-CB 3.41Å; S780-Q783 PolarHBondContact O-N 3.02Å; S780-S784 PolarHBondContact O-N 3.09Å; S780-S784 PolarHBondContact O-OG 2.92Å
781	V	89.4	Confident	79.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-46.1	172.1	177.7	0	0	0	0	110.6	L692 W776 N778 Q783 S784 L785 V823 I873	L692-V781 HydrophobicContact CD1-CG1 3.76Å; W776-V781 HydrophobicContact CE3-CG1 4.37Å; W776-V781 HydrophobicContact CZ3-CB 4.28Å; W776-V781 HydrophobicContact CZ3-CG1 3.99Å; N778-V781 HydrophobicContact CB-CB 3.92Å; N778-V781 HydrophobicContact CB-CG2 3.75Å; N778-V781 PolarHBondContact O-N 2.89Å; N778-V781 VanDerWaalsContact O-N 3.17Å; N778-V781 PolarHBondContact OD1-N 3.35Å; V781-Q783 PolarHBondContact O-N 3Å; V781-S784 CarbonylContact O-C 3.5Å; V781-S784 WeakPolarHBondContact O-CA 3.32Å; V781-S784 WeakPolarHBondContact O-CB 3.46Å; V781-S784 PolarHBondContact O-N 2.96Å; V781-L785 HydrophobicContact CG1-CD1 4.06Å; V781-L785 HydrophobicContact CG1-CG 4.28Å; V781-L785 WeakPolarHBondContact O-CG 3.11Å; V781-L785 PolarHBondContact O-N 2.87Å; V781-V823 HydrophobicContact CG2-CG2 4.35Å; V781-I873 HydrophobicContact CG2-CD1 4.04Å; V781-I873 HydrophobicContact CG2-CG1 4.13Å
782	M	87.8	Confident	76.5	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-55.7	-39.5	174	-67	164.4	68.9	0	0	111.6	W776 Y777 N778 S784 L785 R786 P798 T800 A996	W776-M782 HydrophobicContact CH2-CG 3.97Å; W776-M782 HydrophobicContact CZ3-CG 3.71Å; Y777-M782 HydrophobicContact CD2-SD 4.44Å; Y777-M782 HydrophobicContact CE1-SD 4.33Å; Y777-M782 HydrophobicContact CE2-SD 4.14Å; N778-M782 VanDerWaalsContact O-CG 3.24Å; N778-M782 WeakPolarHBondContact O-CG 3.37Å; N778-M782 PolarHBondContact O-N 3.48Å; M782-S784 VanDerWaalsContact C-N 3.34Å; M782-L785 PolarHBondContact O-N 2.67Å; M782-R786 PolarHBondContact O-N 2.87Å; M782-P798 HydrophobicContact CB-CB 4.13Å; M782-P798 HydrophobicContact CB-CG 4.09Å; M782-P798 HydrophobicContact CE-CB 3.92Å; M782-P798 VanDerWaalsContact CE-O 3.24Å; M782-P798 WeakPolarHBondContact CE-O 3.25Å; M782-P798 HydrophobicContact CG-CB 4.12Å; M782-P798 HydrophobicContact CG-CG 4.45Å; M782-P798 WeakPolarHBondContact O-CD 3.38Å; M782-T800 VanDerWaalsContact CE-C 3.49Å; M782-T800 WeakPolarHBondContact CE-O 3.04Å; M782-A996 HydrophobicContact CE-CB 3.83Å
783	Q	84	Confident	73.5	Confident	112 Å²	112	36.9 Å²	36.9	52%	0.523	18%	0.18	S	C	.	.	H	α-helix	trans	-66.9	-32.5	174	-78.2	174.6	12.1	0	0	112.9	T779 S780 V781 R786	T779-Q783 WeakPolarHBondContact O-CB 3.24Å; T779-Q783 VanDerWaalsContact O-CG 3.23Å; T779-Q783 WeakPolarHBondContact O-CG 3.35Å; T779-Q783 PolarHBondContact O-N 3.31Å; S780-Q783 WeakPolarHBondContact O-CB 3.41Å; S780-Q783 PolarHBondContact O-N 3.02Å; V781-Q783 PolarHBondContact O-N 3Å; Q783-R786 WeakPolarHBondContact O-CB 3.28Å; Q783-R786 WeakPolarHBondContact O-CD 3.39Å; Q783-R786 WeakPolarHBondContact O-CG 3.32Å; Q783-R786 PolarHBondContact O-N 3.32Å; Q783-R786 PolarHBondContact O-NE 3.41Å
784	S	80.3	Confident	71.1	Confident	28 Å²	28	42.7 Å²	42.7	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-77.1	-26.7	174.1	-65.7	0	0	0	0	112.9	S780 V781 M782 R786 D876	S780-S784 PolarHBondContact O-N 3.09Å; S780-S784 PolarHBondContact O-OG 2.92Å; V781-S784 CarbonylContact O-C 3.5Å; V781-S784 WeakPolarHBondContact O-CA 3.32Å; V781-S784 WeakPolarHBondContact O-CB 3.46Å; V781-S784 PolarHBondContact O-N 2.96Å; M782-S784 VanDerWaalsContact C-N 3.34Å; S784-R786 PolarHBondContact O-N 3.18Å; S784-D876 WeakPolarHBondContact CA-OD2 3.44Å; S784-D876 WeakPolarHBondContact CB-OD2 3.33Å; S784-D876 WeakPolarHBondContact OG-CB 3.39Å; S784-D876 PolarHBondContact OG-OD2 2.85Å
785	L	79.1	Confident	69.4	Low	44 Å²	44	44.9 Å²	44.9	23%	0.23	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3	171.9	-65.1	173	0	0	0	113.1	P688 L692 W776 V781 M782 F787 P798	P688-L785 HydrophobicContact CB-CD1 4.44Å; L692-L785 HydrophobicContact CD2-CD1 3.57Å; L692-L785 HydrophobicContact CD2-CD2 4.3Å; W776-L785 HydrophobicContact CH2-CD1 3.47Å; W776-L785 VanDerWaalsContact CH2-CD1 3.47Å; W776-L785 HydrophobicContact CZ2-CD1 3.92Å; W776-L785 HydrophobicContact CZ3-CD1 4.26Å; V781-L785 HydrophobicContact CG1-CD1 4.06Å; V781-L785 HydrophobicContact CG1-CG 4.28Å; V781-L785 WeakPolarHBondContact O-CG 3.11Å; V781-L785 PolarHBondContact O-N 2.87Å; M782-L785 PolarHBondContact O-N 2.67Å; L785-F787 PolarHBondContact O-N 3.18Å; L785-P798 HydrophobicContact CB-CG 4.16Å
786	R	74.6	Confident	68	Low	106 Å²	106	47.6 Å²	47.6	40%	0.4	22%	0.224	S	C	.	.			trans	-58.6	120.9	173.1	77.5	-167.4	168.2	170.8	-1.7	107.2	M782 Q783 S784 L795 W796 T797	M782-R786 PolarHBondContact O-N 2.87Å; Q783-R786 WeakPolarHBondContact O-CB 3.28Å; Q783-R786 WeakPolarHBondContact O-CD 3.39Å; Q783-R786 WeakPolarHBondContact O-CG 3.32Å; Q783-R786 PolarHBondContact O-N 3.32Å; Q783-R786 PolarHBondContact O-NE 3.41Å; S784-R786 PolarHBondContact O-N 3.18Å; R786-L795 HydrophobicContact CB-CD1 3.95Å; R786-L795 HydrophobicContact CB-CG 4.27Å; R786-L795 HydrophobicContact CG-CD1 3.74Å; R786-L795 HydrophobicContact CG-CG 4.4Å; R786-W796 VanDerWaalsContact CA-O 3.22Å; R786-W796 WeakPolarHBondContact CA-O 3.4Å; R786-W796 WeakPolarHBondContact CB-O 3.03Å; R786-T797 HydrophobicContact CB-CG2 3.96Å
787	F	63.9	Low	67	Low	70 Å²	70	49.4 Å²	49.4	31%	0.307	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.9	165.8	65.2	-78.6	0	0	0	106.1	F686 L785 D789 W796	F686-F787 AromaticContact CD1-CE1 3.94Å; F686-F787 HydrophobicContact CD1-CE1 3.94Å; F686-F787 HydrophobicContact CD2-CE1 4.3Å; F686-F787 AromaticContact CE1-CD1 3.67Å; F686-F787 HydrophobicContact CE1-CD1 3.67Å; F686-F787 AromaticContact CE1-CE1 3.44Å; F686-F787 HydrophobicContact CE1-CE1 3.44Å; F686-F787 VanDerWaalsContact CE1-CE1 3.44Å; F686-F787 AromaticContact CE2-CE1 3.86Å; F686-F787 HydrophobicContact CE2-CE1 3.86Å; F686-F787 HydrophobicContact CG-CE1 4.34Å; F686-F787 AromaticContact CZ-CD1 3.71Å; F686-F787 HydrophobicContact CZ-CD1 3.71Å; F686-F787 AromaticContact CZ-CE1 3.4Å; F686-F787 HydrophobicContact CZ-CE1 3.4Å; F686-F787 VanDerWaalsContact CZ-CE1 3.4Å; L785-F787 PolarHBondContact O-N 3.18Å; F787-D789 HydrophobicContact CD2-CB 3.67Å; F787-D789 HydrophobicContact CE2-CB 3.47Å; F787-D789 VanDerWaalsContact CE2-CB 3.47Å; F787-D789 HydrophobicContact CZ-CB 4.49Å; F787-D789 PolarHBondContact O-N 2.88Å; F787-W796 HydrophobicContact CD1-CB 4.35Å; F787-W796 HydrophobicContact CE1-CB 3.93Å; F787-W796 HydrophobicContact CZ-CB 4.03Å; F787-W796 HydrophobicContact CZ-CG 4.22Å; F787-W796 PolarHBondContact N-O 3.39Å; F787-W796 PolarHBondContact O-N 3.27Å
788	Y	47.9	Very low	66.5	Low	93 Å²	93	49.2 Å²	49.2	37%	0.365	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	101.3	155.5	-174.4	-108.1	0	0	0	103.9	E32 T790 R793 L795	E32-Y788 VanDerWaalsContact CD-OH 3.26Å; E32-Y788 PolarHBondContact OE1-OH 3.29Å; Y788-T790 HydrophobicContact CD1-CG2 3.92Å; Y788-T790 HydrophobicContact CE1-CG2 4.37Å; Y788-T790 PolarHBondContact O-N 3.3Å; Y788-R793 HydrophobicContact CE1-CG 4.26Å; Y788-R793 HydrophobicContact CE2-CB 4.3Å; Y788-R793 WeakPolarHBondContact CE2-O 3.38Å; Y788-R793 VanDerWaalsContact OH-CB 3.27Å; Y788-R793 WeakPolarHBondContact OH-CB 3.31Å; Y788-R793 WeakPolarHBondContact OH-CD 3.04Å; Y788-R793 WeakPolarHBondContact OH-CG 3.23Å; Y788-L795 HydrophobicContact CD2-CB 4.43Å
789	D	43.4	Very low	66.1	Low	13 Å²	13	48.8 Å²	48.8	7%	0.07	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	89.5	164.8	-171.3	19.8	0	0	0	103.2	F787 N791 T792 R793 R794 W796	F787-D789 HydrophobicContact CD2-CB 3.67Å; F787-D789 HydrophobicContact CE2-CB 3.47Å; F787-D789 VanDerWaalsContact CE2-CB 3.47Å; F787-D789 HydrophobicContact CZ-CB 4.49Å; F787-D789 PolarHBondContact O-N 2.88Å; D789-N791 CarbonylContact O-C 3.34Å; D789-N791 PolarHBondContact O-N 2.98Å; D789-N791 WeakPolarHBondContact OD1-CB 3.48Å; D789-T792 WeakPolarHBondContact CB-OG1 3.48Å; D789-T792 VanDerWaalsContact CG-OG1 3.23Å; D789-T792 CarbonylContact O-C 3.58Å; D789-T792 PolarHBondContact O-N 3.04Å; D789-T792 PolarHBondContact OD1-N 2.91Å; D789-T792 WeakPolarHBondContact OD2-CA 3.45Å; D789-T792 WeakPolarHBondContact OD2-CB 3.01Å; D789-T792 WeakPolarHBondContact OD2-CG2 3.46Å; D789-T792 PolarHBondContact OD2-N 3Å; D789-T792 PolarHBondContact OD2-OG1 3.11Å; D789-R793 WeakPolarHBondContact O-CA 3.35Å; D789-R793 PolarHBondContact O-N 3.31Å; D789-R794 PolarHBondContact N-O 3.18Å; D789-W796 HydrophobicContact CB-CG 4.47Å; D789-W796 PolarHBondContact OD2-NE1 3.44Å
790	T	33.2	Very low	66.1	Low	78 Å²	78	46.7 Å²	46.7	48%	0.479	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-25	171	54.5	0	0	0	0	112.1	Y788 R793	Y788-T790 HydrophobicContact CD1-CG2 3.92Å; Y788-T790 HydrophobicContact CE1-CG2 4.37Å; Y788-T790 PolarHBondContact O-N 3.3Å; T790-R793 WeakPolarHBondContact O-CG 3.25Å
791	N	33.2	Very low	66.1	Low	15 Å²	15	44.2 Å²	44.2	8%	0.08	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-68.6	-174.3	-105.9	18.9	0	0	0	106	V27 S28 S29 V30 V31 D789 R793	V27-N791 WeakPolarHBondContact CG1-ND2 3.27Å; S28-N791 VanDerWaalsContact O-CB 3.28Å; S28-N791 WeakPolarHBondContact O-CB 3.47Å; S28-N791 PolarHBondContact O-ND2 2.86Å; S29-N791 CarbonylContact C-O 3.3Å; S29-N791 WeakPolarHBondContact CA-O 3.33Å; S29-N791 WeakPolarHBondContact CB-ND2 3.37Å; S29-N791 WeakPolarHBondContact CB-OD1 3.33Å; S29-N791 VanDerWaalsContact O-O 3.12Å; S29-N791 WeakPolarHBondContact OG-CA 3.47Å; S29-N791 WeakPolarHBondContact OG-CB 2.96Å; S29-N791 PolarHBondContact OG-O 2.99Å; S29-N791 PolarHBondContact OG-OD1 3.43Å; V30-N791 CarbonylContact C-O 3.52Å; V30-N791 WeakPolarHBondContact CA-O 3.24Å; V30-N791 PolarHBondContact N-O 3.1Å; V30-N791 CarbonylContact O-C 3.37Å; V31-N791 PolarHBondContact N-O 3.38Å; D789-N791 CarbonylContact O-C 3.34Å; D789-N791 PolarHBondContact O-N 2.98Å; D789-N791 WeakPolarHBondContact OD1-CB 3.48Å; N791-R793 PolarHBondContact O-N 2.77Å
792	T	38.4	Very low	66.1	Low	7 Å²	7	44.2 Å²	44.2	4%	0.043	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.1	170.7	64.7	0	0	0	0	119.9	V30 D789 R794 W796	V30-T792 HydrophobicContact CB-CG2 3.54Å; V30-T792 WeakPolarHBondContact CB-O 3.39Å; V30-T792 WeakPolarHBondContact CG1-O 3.35Å; V30-T792 HydrophobicContact CG2-CG2 3.54Å; V30-T792 VanDerWaalsContact N-CG2 3.29Å; V30-T792 VanDerWaalsContact N-N 3.15Å; V30-T792 CarbonylContact O-C 3.38Å; V30-T792 WeakPolarHBondContact O-CA 3.3Å; D789-T792 WeakPolarHBondContact CB-OG1 3.48Å; D789-T792 VanDerWaalsContact CG-OG1 3.23Å; D789-T792 CarbonylContact O-C 3.58Å; D789-T792 PolarHBondContact O-N 3.04Å; D789-T792 PolarHBondContact OD1-N 2.91Å; D789-T792 WeakPolarHBondContact OD2-CA 3.45Å; D789-T792 WeakPolarHBondContact OD2-CB 3.01Å; D789-T792 WeakPolarHBondContact OD2-CG2 3.46Å; D789-T792 PolarHBondContact OD2-N 3Å; D789-T792 PolarHBondContact OD2-OG1 3.11Å; T792-R794 PolarHBondContact O-N 2.86Å; T792-R794 WeakPolarHBondContact OG1-CB 3.42Å; T792-R794 PolarHBondContact OG1-N 2.88Å; T792-W796 HydrophobicContact CG2-CZ2 4.18Å; T792-W796 VanDerWaalsContact OG1-CD1 3.25Å; T792-W796 PolarHBondContact OG1-NE1 3.49Å
793	R	36.9	Very low	66.4	Low	83 Å²	83	43.9 Å²	43.9	31%	0.313	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.7	24.6	-164.4	-68.1	-132.3	-119.8	150.2	-22.2	112.5	V30 E32 Y788 D789 T790 N791	V30-R793 PolarHBondContact O-N 3.32Å; E32-R793 HydrophobicContact CB-CB 3.2Å; E32-R793 VanDerWaalsContact CB-CD 3.46Å; E32-R793 HydrophobicContact CB-CG 3.59Å; E32-R793 VanDerWaalsContact CD-CD 3.47Å; E32-R793 HydrophobicContact CG-CB 3.05Å; E32-R793 HydrophobicContact CG-CG 3.94Å; E32-R793 VanDerWaalsContact OE1-CB 3.27Å; E32-R793 WeakPolarHBondContact OE1-CB 3.32Å; E32-R793 VanDerWaalsContact OE2-CD 3.31Å; E32-R793 WeakPolarHBondContact OE2-CD 3.5Å; E32-R793 IonicContact OE2-CZ 3.59Å; E32-R793 IonicContact OE2-NE 2.7Å; E32-R793 IonicContact OE2-NH1 3.39Å; E32-R793 PolarHBondContact OE2-NH1 3.11Å; Y788-R793 HydrophobicContact CE1-CG 4.26Å; Y788-R793 HydrophobicContact CE2-CB 4.3Å; Y788-R793 WeakPolarHBondContact CE2-O 3.38Å; Y788-R793 VanDerWaalsContact OH-CB 3.27Å; Y788-R793 WeakPolarHBondContact OH-CB 3.31Å; Y788-R793 WeakPolarHBondContact OH-CD 3.04Å; Y788-R793 WeakPolarHBondContact OH-CG 3.23Å; D789-R793 WeakPolarHBondContact O-CA 3.35Å; D789-R793 PolarHBondContact O-N 3.31Å; T790-R793 WeakPolarHBondContact O-CG 3.25Å; N791-R793 PolarHBondContact O-N 2.77Å
794	R	46.1	Very low	66.9	Low	123 Å²	123	38.7 Å²	38.7	46%	0.464	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.2	164	-66.9	180	175.4	-168.3	-3.6	103.5	D789 T792 W796	D789-R794 PolarHBondContact N-O 3.18Å; T792-R794 PolarHBondContact O-N 2.86Å; T792-R794 WeakPolarHBondContact OG1-CB 3.42Å; T792-R794 PolarHBondContact OG1-N 2.88Å; R794-W796 VanDerWaalsContact C-N 3.31Å; R794-W796 PolarHBondContact O-N 2.84Å
795	L	60.4	Low	67.6	Low	46 Å²	46	37.4 Å²	37.4	24%	0.241	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	104	158.5	-176.1	69.2	0	0	0	105.5	R786 Y788 T797	R786-L795 HydrophobicContact CB-CD1 3.95Å; R786-L795 HydrophobicContact CB-CG 4.27Å; R786-L795 HydrophobicContact CG-CD1 3.74Å; R786-L795 HydrophobicContact CG-CG 4.4Å; Y788-L795 HydrophobicContact CD2-CB 4.43Å; L795-T797 HydrophobicContact CG-CG2 4.4Å; L795-T797 PolarHBondContact O-N 3.27Å
796	W	66.1	Low	68.3	Low	56 Å²	56	35.6 Å²	35.6	21%	0.212	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.4	169.9	-73.7	83.9	0	0	0	106.5	F686 R786 F787 D789 T792 R794	F686-W796 HydrophobicContact CB-CB 4.5Å; F686-W796 HydrophobicContact CB-CD2 4.36Å; F686-W796 HydrophobicContact CB-CE3 3.5Å; F686-W796 HydrophobicContact CB-CZ3 4.09Å; F686-W796 HydrophobicContact CD1-CB 3.61Å; F686-W796 HydrophobicContact CE1-CB 4.17Å; F686-W796 HydrophobicContact CG-CB 4.32Å; F686-W796 HydrophobicContact CG-CE3 4.47Å; R786-W796 VanDerWaalsContact CA-O 3.22Å; R786-W796 WeakPolarHBondContact CA-O 3.4Å; R786-W796 WeakPolarHBondContact CB-O 3.03Å; F787-W796 HydrophobicContact CD1-CB 4.35Å; F787-W796 HydrophobicContact CE1-CB 3.93Å; F787-W796 HydrophobicContact CZ-CB 4.03Å; F787-W796 HydrophobicContact CZ-CG 4.22Å; F787-W796 PolarHBondContact N-O 3.39Å; F787-W796 PolarHBondContact O-N 3.27Å; D789-W796 HydrophobicContact CB-CG 4.47Å; D789-W796 PolarHBondContact OD2-NE1 3.44Å; T792-W796 HydrophobicContact CG2-CZ2 4.18Å; T792-W796 VanDerWaalsContact OG1-CD1 3.25Å; T792-W796 PolarHBondContact OG1-NE1 3.49Å; R794-W796 VanDerWaalsContact C-N 3.31Å; R794-W796 PolarHBondContact O-N 2.84Å
797	T	73.8	Confident	69.2	Low	38 Å²	38	30.6 Å²	30.6	23%	0.233	14%	0.14	C	C	.	.			trans	-104.2	136.2	165.2	48.4	0	0	0	0	106.5	F686 R786 L795 D799	F686-T797 VanDerWaalsContact CD1-C 3.43Å; R786-T797 HydrophobicContact CB-CG2 3.96Å; L795-T797 HydrophobicContact CG-CG2 4.4Å; L795-T797 PolarHBondContact O-N 3.27Å; T797-D799 PolarHBondContact O-N 3.14Å
798	P	84.4	Confident	70.8	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.013	13%	0.125	C	C	.	.			trans	-48.1	133.3	173.4	-30.7	38.4	0	0	0	111.4	F686 P688 M782 L785 T800	F686-P798 HydrophobicContact CD1-CB 4.38Å; F686-P798 HydrophobicContact CD1-CG 3.99Å; F686-P798 VanDerWaalsContact CD1-N 3.29Å; F686-P798 HydrophobicContact CE1-CB 4.37Å; F686-P798 VanDerWaalsContact CE1-CD 3.46Å; F686-P798 HydrophobicContact CE1-CG 3.53Å; F686-P798 HydrophobicContact CZ-CG 3.9Å; F686-P798 CarbonylContact O-C 3.25Å; F686-P798 VanDerWaalsContact O-CA 3.32Å; F686-P798 WeakPolarHBondContact O-CA 3.18Å; P688-P798 HydrophobicContact CG-CB 3.48Å; P688-P798 VanDerWaalsContact CG-CB 3.48Å; P688-P798 HydrophobicContact CG-CG 3.6Å; M782-P798 HydrophobicContact CB-CB 4.13Å; M782-P798 HydrophobicContact CB-CG 4.09Å; M782-P798 HydrophobicContact CE-CB 3.92Å; M782-P798 VanDerWaalsContact CE-O 3.24Å; M782-P798 WeakPolarHBondContact CE-O 3.25Å; M782-P798 HydrophobicContact CG-CB 4.12Å; M782-P798 HydrophobicContact CG-CG 4.45Å; M782-P798 WeakPolarHBondContact O-CD 3.38Å; L785-P798 HydrophobicContact CB-CG 4.16Å; P798-T800 VanDerWaalsContact C-N 3.3Å; P798-T800 VanDerWaalsContact CB-O 3.27Å; P798-T800 WeakPolarHBondContact CB-O 3.29Å
799	D	85.6	Confident	73	Confident	7 Å²	7	23.3 Å²	23.3	4%	0.037	11%	0.11	C	C	.	.	S	Bend	trans	-73.6	-29	177.2	-71.1	-51.1	0	0	0	111	G685 F686 T797 S999 Q1000 L1001	G685-D799 WeakPolarHBondContact CA-OD2 3.44Å; F686-D799 PolarHBondContact N-OD2 2.81Å; F686-D799 PolarHBondContact O-N 3.13Å; T797-D799 PolarHBondContact O-N 3.14Å; D799-S999 VanDerWaalsContact O-CB 3.31Å; D799-S999 WeakPolarHBondContact O-CB 3.34Å; D799-S999 PolarHBondContact O-OG 3.43Å; D799-Q1000 WeakPolarHBondContact OD1-CA 3.27Å; D799-Q1000 VanDerWaalsContact OD1-CB 3.31Å; D799-Q1000 WeakPolarHBondContact OD1-CB 3.46Å; D799-Q1000 PolarHBondContact OD1-N 2.96Å; D799-L1001 HydrophobicContact CB-CB 4.5Å
800	T	89.2	Confident	75.5	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.109	C	C	.	.	S	Bend	trans	-148.6	179	172.2	-169.8	0	0	0	0	110.4	I687 P688 E748 Y777 M782 P798 N804	I687-T800 HydrophobicContact CD1-CG2 4.45Å; I687-T800 HydrophobicContact CG1-CG2 4.13Å; I687-T800 HydrophobicContact CG2-CG2 4.27Å; P688-T800 WeakPolarHBondContact CD-O 3.22Å; E748-T800 HydrophobicContact CB-CG2 3.99Å; E748-T800 HydrophobicContact CG-CG2 4.22Å; Y777-T800 WeakPolarHBondContact CE2-OG1 3.18Å; M782-T800 VanDerWaalsContact CE-C 3.49Å; M782-T800 WeakPolarHBondContact CE-O 3.04Å; P798-T800 VanDerWaalsContact C-N 3.3Å; P798-T800 VanDerWaalsContact CB-O 3.27Å; P798-T800 WeakPolarHBondContact CB-O 3.29Å; T800-N804 WeakPolarHBondContact OG1-CA 3.46Å
801	G	90	Very high	78.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.086	C	C	.	.			trans	-75.7	-154.6	172.4	0	0	0	0	0	111.9	Y777 S803	Y777-G801 VanDerWaalsContact CD2-N 3.35Å; G801-S803 VanDerWaalsContact C-N 3.32Å
802	G	90.3	Very high	81.6	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-60.5	-48.3	164.7	0	0	0	0	0	109.5	E748 W776	E748-G802 VanDerWaalsContact OE1-O 3.13Å; W776-G802 VanDerWaalsContact CE2-N 3.33Å; W776-G802 PolarHBondContact O-N 3.12Å
803	S	93.3	Very high	84.2	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-124.8	156.6	169.4	65.6	0	0	0	0	111.8	D775 W776 Y777 G801 L805	D775-S803 WeakPolarHBondContact CA-OG 3.25Å; D775-S803 PolarHBondContact N-OG 3.45Å; D775-S803 PolarHBondContact O-OG 2.9Å; W776-S803 PolarHBondContact O-N 2.85Å; Y777-S803 WeakPolarHBondContact CD2-O 3.23Å; G801-S803 VanDerWaalsContact C-N 3.32Å; S803-L805 VanDerWaalsContact C-N 3.33Å; S803-L805 PolarHBondContact O-N 3.14Å; S803-L805 WeakPolarHBondContact OG-CD2 3.25Å
804	N	94	Very high	87	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.016	10%	0.098	C	C	.	.			trans	-80.4	73.2	176.3	-170.7	-7.9	0	0	0	111.9	P747 E748 E750 T800 P806 A807 L808	P747-N804 PolarHBondContact O-N 3.21Å; E748-N804 WeakPolarHBondContact O-CB 3.49Å; E748-N804 PolarHBondContact O-ND2 2.83Å; E750-N804 PolarHBondContact OE1-ND2 3.45Å; T800-N804 WeakPolarHBondContact OG1-CA 3.46Å; N804-P806 VanDerWaalsContact C-CD 3.48Å; N804-P806 WeakPolarHBondContact OD1-CD 3.31Å; N804-A807 HydrophobicContact CB-CB 4.14Å; N804-A807 VanDerWaalsContact CG-CB 3.47Å; N804-A807 WeakPolarHBondContact O-CB 3.4Å; N804-A807 PolarHBondContact O-N 2.86Å; N804-A807 PolarHBondContact OD1-N 2.88Å; N804-L808 PolarHBondContact O-N 3.46Å
805	L	95.5	Very high	89.3	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-56.9	-36	-178.8	-63.5	-174.3	0	0	0	115.4	A774 D775 Y777 S803 A807 L808 N809 F819 S841 P993	A774-L805 HydrophobicContact CB-CD2 3.7Å; D775-L805 WeakPolarHBondContact O-CD1 3.35Å; Y777-L805 VanDerWaalsContact CB-CG 3.48Å; Y777-L805 HydrophobicContact CG-CB 4.23Å; S803-L805 VanDerWaalsContact C-N 3.33Å; S803-L805 PolarHBondContact O-N 3.14Å; S803-L805 WeakPolarHBondContact OG-CD2 3.25Å; L805-A807 VanDerWaalsContact C-N 3.33Å; L805-A807 PolarHBondContact O-N 3.22Å; L805-L808 HydrophobicContact CD2-CD2 4.04Å; L805-L808 PolarHBondContact O-N 2.95Å; L805-N809 VanDerWaalsContact O-CB 3.25Å; L805-N809 WeakPolarHBondContact O-CB 3.36Å; L805-N809 VanDerWaalsContact O-CG 3.27Å; L805-N809 PolarHBondContact O-N 2.89Å; L805-F819 HydrophobicContact CD1-CB 4.15Å; L805-F819 HydrophobicContact CD2-CB 4.32Å; L805-F819 HydrophobicContact CD2-CD2 4.15Å; L805-F819 HydrophobicContact CD2-CG 4.18Å; L805-S841 VanDerWaalsContact CD1-CB 3.46Å; L805-P993 HydrophobicContact CB-CB 4.23Å; L805-P993 HydrophobicContact CB-CG 3.75Å
806	P	94	Very high	90.9	Very high	7 Å²	7	15.7 Å²	15.7	5%	0.045	8%	0.078	C	C	.	.	H	α-helix	trans	-57	-45	172.2	-26.3	34.4	0	0	0	112.9	Y777 N804 N809 D810 P993 R995	Y777-P806 HydrophobicContact CD1-CG 4.03Å; Y777-P806 HydrophobicContact CE1-CG 3.56Å; Y777-P806 HydrophobicContact CE2-CG 4.22Å; N804-P806 VanDerWaalsContact C-CD 3.48Å; N804-P806 WeakPolarHBondContact OD1-CD 3.31Å; P806-N809 PolarHBondContact O-N 3.36Å; P806-D810 PolarHBondContact O-N 2.75Å; P806-D810 VanDerWaalsContact O-N 3.1Å; P806-P993 HydrophobicContact CG-CB 4.02Å; P806-P993 HydrophobicContact CG-CG 4.41Å; P806-R995 HydrophobicContact CB-CG 3.67Å; P806-R995 HydrophobicContact CG-CG 4.15Å
807	A	93.8	Very high	92.3	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-66.8	-42.8	175.9	0	0	0	0	0	111.7	E750 F751 N804 L805 N809 D810 L811	E750-A807 VanDerWaalsContact OE2-CB 3.27Å; E750-A807 WeakPolarHBondContact OE2-CB 3.5Å; F751-A807 HydrophobicContact CD2-CB 4.05Å; F751-A807 HydrophobicContact CE2-CB 4.26Å; N804-A807 HydrophobicContact CB-CB 4.14Å; N804-A807 VanDerWaalsContact CG-CB 3.47Å; N804-A807 WeakPolarHBondContact O-CB 3.4Å; N804-A807 PolarHBondContact O-N 2.86Å; N804-A807 PolarHBondContact OD1-N 2.88Å; L805-A807 VanDerWaalsContact C-N 3.33Å; L805-A807 PolarHBondContact O-N 3.22Å; A807-N809 VanDerWaalsContact C-N 3.32Å; A807-N809 PolarHBondContact O-N 2.95Å; A807-D810 WeakPolarHBondContact O-CA 3.4Å; A807-D810 WeakPolarHBondContact O-CB 3.28Å; A807-D810 PolarHBondContact O-N 3.27Å; A807-L811 PolarHBondContact O-N 3.44Å
808	L	96.5	Very high	93.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.9	-36.9	177.3	-172.9	56.9	0	0	0	112.4	P747 V772 A774 N804 L805 D810 L811 L812 F819	P747-L808 HydrophobicContact CG-CD1 4.16Å; P747-L808 HydrophobicContact CG-CD2 4.18Å; V772-L808 HydrophobicContact CG1-CD1 3.96Å; V772-L808 HydrophobicContact CG1-CD2 3.84Å; V772-L808 HydrophobicContact CG1-CG 4.4Å; A774-L808 HydrophobicContact CB-CD2 3.54Å; N804-L808 PolarHBondContact O-N 3.46Å; L805-L808 HydrophobicContact CD2-CD2 4.04Å; L805-L808 PolarHBondContact O-N 2.95Å; L808-D810 VanDerWaalsContact C-N 3.32Å; L808-L811 HydrophobicContact CD1-CD2 4.13Å; L808-L811 WeakPolarHBondContact O-CB 3.24Å; L808-L811 PolarHBondContact O-N 3.43Å; L808-L812 HydrophobicContact CD1-CD1 4.14Å; L808-L812 HydrophobicContact CD1-CG 4.28Å; L808-L812 HydrophobicContact CG-CD1 4.02Å; L808-L812 WeakPolarHBondContact O-CB 3.15Å; L808-L812 WeakPolarHBondContact O-CG 3.37Å; L808-L812 PolarHBondContact O-N 3.33Å; L808-F819 HydrophobicContact CD2-CD2 4.17Å; L808-F819 HydrophobicContact CD2-CE2 3.69Å; L808-F819 HydrophobicContact CG-CD2 4.5Å; L808-F819 HydrophobicContact CG-CE2 4.22Å
809	N	95.9	Very high	93.9	Very high	10 Å²	10	13 Å²	13	5%	0.053	7%	0.065	C	C	.	.	H	α-helix	trans	-64.7	-36.8	172	-81.2	-14.2	0	0	0	111.6	L805 P806 A807 L811 L812 R813 E818 F819 P993	L805-N809 VanDerWaalsContact O-CB 3.25Å; L805-N809 WeakPolarHBondContact O-CB 3.36Å; L805-N809 VanDerWaalsContact O-CG 3.27Å; L805-N809 PolarHBondContact O-N 2.89Å; P806-N809 PolarHBondContact O-N 3.36Å; A807-N809 VanDerWaalsContact C-N 3.32Å; A807-N809 PolarHBondContact O-N 2.95Å; N809-L811 VanDerWaalsContact C-N 3.34Å; N809-L812 PolarHBondContact O-N 3.44Å; N809-R813 VanDerWaalsContact O-CB 3.31Å; N809-R813 WeakPolarHBondContact O-CB 3.44Å; N809-R813 PolarHBondContact O-N 3.49Å; N809-E818 HydrophobicContact CB-CG 4.45Å; N809-E818 WeakPolarHBondContact OD1-CA 3.39Å; N809-F819 PolarHBondContact ND2-O 2.87Å; N809-F819 PolarHBondContact OD1-N 2.99Å; N809-P993 WeakPolarHBondContact ND2-CD 3.47Å; N809-P993 WeakPolarHBondContact ND2-CG 3.41Å
810	D	94.6	Very high	94.4	Very high	8 Å²	8	12.6 Å²	12.6	4%	0.043	6%	0.063	C	C	.	.	H	α-helix	trans	-61.9	-44.3	173	-72.8	-25.8	0	0	0	111.5	I756 P806 A807 L808 R813 R995	I756-D810 HydrophobicContact CD1-CB 4.15Å; P806-D810 PolarHBondContact O-N 2.75Å; P806-D810 VanDerWaalsContact O-N 3.1Å; A807-D810 WeakPolarHBondContact O-CA 3.4Å; A807-D810 WeakPolarHBondContact O-CB 3.28Å; A807-D810 PolarHBondContact O-N 3.27Å; L808-D810 VanDerWaalsContact C-N 3.32Å; D810-R813 IonicContact OD1-CZ 3.76Å; D810-R813 IonicContact OD1-NH1 3.79Å; D810-R813 PolarHBondContact OD1-NH1 3Å; D810-R813 IonicContact OD1-NH2 3.79Å; D810-R813 PolarHBondContact OD1-NH2 2.94Å; D810-R995 IonicContact OD2-CZ 2.81Å; D810-R995 IonicContact OD2-NH1 3.71Å; D810-R995 PolarHBondContact OD2-NH1 2.88Å; D810-R995 VanDerWaalsContact OD2-NH1 3.15Å; D810-R995 IonicContact OD2-NH2 3.6Å; D810-R995 PolarHBondContact OD2-NH2 2.95Å
811	L	96.7	Very high	94.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.6	-42.2	176.8	-175.7	68.1	0	0	0	112.9	F731 I744 F751 I756 L759 A807 L808 N809 P814	F731-L811 HydrophobicContact CE2-CD1 4.01Å; F731-L811 HydrophobicContact CE2-CD2 4.42Å; I744-L811 HydrophobicContact CD1-CD2 3.7Å; F751-L811 HydrophobicContact CB-CD1 4.41Å; F751-L811 HydrophobicContact CD1-CD1 4.25Å; F751-L811 HydrophobicContact CD1-CD2 4.09Å; F751-L811 HydrophobicContact CD2-CB 3.93Å; F751-L811 HydrophobicContact CD2-CD2 4.25Å; F751-L811 HydrophobicContact CD2-CG 4.5Å; F751-L811 HydrophobicContact CE1-CD2 3.83Å; F751-L811 HydrophobicContact CE2-CB 4.24Å; F751-L811 HydrophobicContact CE2-CD2 4.01Å; F751-L811 HydrophobicContact CG-CB 4.27Å; F751-L811 HydrophobicContact CG-CD1 4.17Å; F751-L811 HydrophobicContact CG-CD2 4.29Å; F751-L811 HydrophobicContact CG-CG 4.48Å; F751-L811 HydrophobicContact CZ-CD2 3.79Å; I756-L811 HydrophobicContact CB-CD1 4.45Å; I756-L811 HydrophobicContact CG1-CD1 4Å; L759-L811 HydrophobicContact CB-CD1 4.49Å; L759-L811 HydrophobicContact CD2-CD1 3.64Å; L759-L811 HydrophobicContact CD2-CD2 3.92Å; L759-L811 HydrophobicContact CD2-CG 3.79Å; A807-L811 PolarHBondContact O-N 3.44Å; L808-L811 HydrophobicContact CD1-CD2 4.13Å; L808-L811 WeakPolarHBondContact O-CB 3.24Å; L808-L811 PolarHBondContact O-N 3.43Å; N809-L811 VanDerWaalsContact C-N 3.34Å; L811-P814 WeakPolarHBondContact O-CD 3.37Å
812	L	97.3	Very high	94.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-88.3	-13.2	-173.9	-68.4	179.1	0	0	0	114.1	L770 V772 L808 N809 P814 F815 I817 F819 I935	L770-L812 HydrophobicContact CD2-CD2 3.9Å; V772-L812 HydrophobicContact CG2-CD2 4.37Å; L808-L812 HydrophobicContact CD1-CD1 4.14Å; L808-L812 HydrophobicContact CD1-CG 4.28Å; L808-L812 HydrophobicContact CG-CD1 4.02Å; L808-L812 WeakPolarHBondContact O-CB 3.15Å; L808-L812 WeakPolarHBondContact O-CG 3.37Å; L808-L812 PolarHBondContact O-N 3.33Å; N809-L812 PolarHBondContact O-N 3.44Å; L812-P814 VanDerWaalsContact C-CD 3.45Å; L812-F815 HydrophobicContact CD2-CD2 4.43Å; L812-F815 WeakPolarHBondContact O-CB 3.11Å; L812-F815 PolarHBondContact O-N 3.35Å; L812-I817 HydrophobicContact CB-CB 4.04Å; L812-I817 HydrophobicContact CB-CG2 4.22Å; L812-I817 HydrophobicContact CD1-CG2 3.99Å; L812-I817 PolarHBondContact O-N 3.42Å; L812-F819 HydrophobicContact CD1-CD2 4.41Å; L812-F819 HydrophobicContact CD1-CE2 3.88Å; L812-I935 HydrophobicContact CD1-CD1 4.19Å; L812-I935 HydrophobicContact CD1-CG2 4.26Å; L812-I935 HydrophobicContact CD2-CD1 4Å
813	R	94	Very high	95	Very high	91 Å²	91	15 Å²	15	34%	0.343	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-54.1	-41.8	-178.5	-173.8	-178.4	-65.2	115.8	-10.8	114.7	N809 D810 F815 N816 Y1021	N809-R813 VanDerWaalsContact O-CB 3.31Å; N809-R813 WeakPolarHBondContact O-CB 3.44Å; N809-R813 PolarHBondContact O-N 3.49Å; D810-R813 IonicContact OD1-CZ 3.76Å; D810-R813 IonicContact OD1-NH1 3.79Å; D810-R813 PolarHBondContact OD1-NH1 3Å; D810-R813 IonicContact OD1-NH2 3.79Å; D810-R813 PolarHBondContact OD1-NH2 2.94Å; R813-F815 PolarHBondContact O-N 3.04Å; R813-F815 VanDerWaalsContact O-N 3.16Å; R813-N816 WeakPolarHBondContact O-CA 3.38Å; R813-N816 PolarHBondContact O-N 3.03Å; R813-Y1021 VanDerWaalsContact CD-OH 3.26Å; R813-Y1021 WeakPolarHBondContact CD-OH 3.42Å; R813-Y1021 VanDerWaalsContact CZ-CZ 3.4Å; R813-Y1021 PolarHBondContact NE-OH 3.41Å; R813-Y1021 PolarHBondContact NH1-OH 3.17Å
814	P	95.3	Very high	95.1	Very high	53 Å²	53	15.1 Å²	15.1	34%	0.344	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-58	-27.1	176.8	-25.8	36.2	0	0	0	113.6	I756 F760 L811 L812 N816	I756-P814 HydrophobicContact CG2-CG 3.58Å; F760-P814 HydrophobicContact CB-CB 4.16Å; F760-P814 HydrophobicContact CD2-CB 3.37Å; F760-P814 HydrophobicContact CE2-CB 3.82Å; F760-P814 VanDerWaalsContact CE2-O 3.3Å; F760-P814 WeakPolarHBondContact CE2-O 3.43Å; F760-P814 HydrophobicContact CG-CB 3.81Å; L811-P814 WeakPolarHBondContact O-CD 3.37Å; L812-P814 VanDerWaalsContact C-CD 3.45Å; P814-N816 VanDerWaalsContact C-N 3.29Å
815	F	95.3	Very high	95.1	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-85.8	1.4	174.8	-55.1	-78.1	0	0	0	113.4	F760 V763 T764 L812 R813 I817 P847 I851 M930 L933	F760-F815 HydrophobicContact CB-CZ 4.3Å; F760-F815 AromaticContact CD2-CD1 3.81Å; F760-F815 HydrophobicContact CD2-CD1 3.81Å; F760-F815 HydrophobicContact CD2-CD2 4.44Å; F760-F815 AromaticContact CD2-CE1 3.53Å; F760-F815 HydrophobicContact CD2-CE1 3.53Å; F760-F815 HydrophobicContact CD2-CE2 4.21Å; F760-F815 HydrophobicContact CD2-CG 4.27Å; F760-F815 AromaticContact CD2-CZ 3.78Å; F760-F815 HydrophobicContact CD2-CZ 3.78Å; F760-F815 AromaticContact CE2-CD1 3.95Å; F760-F815 HydrophobicContact CE2-CD1 3.95Å; F760-F815 HydrophobicContact CE2-CE1 4.02Å; F760-F815 HydrophobicContact CG-CZ 4.49Å; V763-F815 HydrophobicContact CB-CE1 3.78Å; V763-F815 HydrophobicContact CB-CZ 3.81Å; V763-F815 HydrophobicContact CG1-CE1 3.67Å; V763-F815 HydrophobicContact CG1-CZ 4.12Å; V763-F815 HydrophobicContact CG2-CE1 4.26Å; V763-F815 HydrophobicContact CG2-CZ 3.84Å; T764-F815 HydrophobicContact CG2-CE1 4.49Å; L812-F815 HydrophobicContact CD2-CD2 4.43Å; L812-F815 WeakPolarHBondContact O-CB 3.11Å; L812-F815 PolarHBondContact O-N 3.35Å; R813-F815 PolarHBondContact O-N 3.04Å; R813-F815 VanDerWaalsContact O-N 3.16Å; F815-I817 VanDerWaalsContact C-N 3.34Å; F815-I817 HydrophobicContact CB-CD1 3.86Å; F815-I817 HydrophobicContact CB-CG1 4.13Å; F815-P847 WeakPolarHBondContact O-CD 3.47Å; F815-P847 WeakPolarHBondContact O-CG 3.36Å; F815-I851 HydrophobicContact CB-CD1 4.43Å; F815-I851 HydrophobicContact CD1-CD1 4.43Å; F815-I851 HydrophobicContact CD1-CG2 4.06Å; F815-M930 HydrophobicContact CD1-CE 4.46Å; F815-L933 HydrophobicContact CB-CD1 3.94Å; F815-L933 HydrophobicContact CD1-CD1 3.74Å; F815-L933 HydrophobicContact CD1-CD2 4.31Å; F815-L933 HydrophobicContact CE1-CD1 4.48Å; F815-L933 HydrophobicContact CE1-CD2 4.3Å; F815-L933 HydrophobicContact CG-CD1 3.97Å
816	N	93.7	Very high	94.8	Very high	51 Å²	51	15.3 Å²	15.3	27%	0.273	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	34.6	-175.9	-160.3	54	0	0	0	113.6	R813 P814 K845 F846 P847	R813-N816 WeakPolarHBondContact O-CA 3.38Å; R813-N816 PolarHBondContact O-N 3.03Å; P814-N816 VanDerWaalsContact C-N 3.29Å; N816-K845 VanDerWaalsContact CG-CE 3.49Å; N816-K845 WeakPolarHBondContact OD1-CE 3.1Å; N816-K845 PolarHBondContact OD1-NZ 3.49Å; N816-F846 CarbonylContact O-C 3.54Å; N816-F846 WeakPolarHBondContact O-CA 3.17Å; N816-P847 HydrophobicContact CB-CB 4.45Å; N816-P847 WeakPolarHBondContact O-CD 3.19Å
817	I	95.2	Very high	94.7	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.015	10%	0.104	C	C	.	.			trans	-111.6	139.9	-179.7	-61.8	169.7	0	0	0	109.5	L812 F815 L843 K845 F846 P847 L933 I935	L812-I817 HydrophobicContact CB-CB 4.04Å; L812-I817 HydrophobicContact CB-CG2 4.22Å; L812-I817 HydrophobicContact CD1-CG2 3.99Å; L812-I817 PolarHBondContact O-N 3.42Å; F815-I817 VanDerWaalsContact C-N 3.34Å; F815-I817 HydrophobicContact CB-CD1 3.86Å; F815-I817 HydrophobicContact CB-CG1 4.13Å; I817-L843 HydrophobicContact CG2-CD2 4.13Å; I817-K845 WeakPolarHBondContact CA-O 3.37Å; I817-F846 HydrophobicContact CB-CD2 4.41Å; I817-F846 HydrophobicContact CD1-CD2 4.08Å; I817-F846 HydrophobicContact CD1-CE2 3.7Å; I817-F846 HydrophobicContact CD1-CZ 4.19Å; I817-F846 HydrophobicContact CG1-CD2 3.75Å; I817-F846 HydrophobicContact CG1-CE2 3.92Å; I817-F846 HydrophobicContact CG1-CG 4.31Å; I817-F846 HydrophobicContact CG2-CD2 3.98Å; I817-F846 HydrophobicContact CG2-CE2 4.29Å; I817-P847 HydrophobicContact CG1-CG 4.25Å; I817-L933 HydrophobicContact CD1-CD1 3.79Å; I817-I935 HydrophobicContact CD1-CG1 3.97Å; I817-I935 HydrophobicContact CG2-CG1 4.29Å; I817-I935 HydrophobicContact CG2-CG2 4.39Å
818	E	95.2	Very high	94.5	Very high	36 Å²	36	20.5 Å²	20.5	17%	0.168	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	133.3	-179.8	-162.6	-174.6	150.5	0	0	111	N809 R844 K845 A992	N809-E818 HydrophobicContact CB-CG 4.45Å; N809-E818 WeakPolarHBondContact OD1-CA 3.39Å; E818-R844 PolarHBondContact O-N 3.08Å; E818-R844 IonicContact OE1-CZ 2.64Å; E818-R844 IonicContact OE1-NH1 3.56Å; E818-R844 PolarHBondContact OE1-NH1 3.01Å; E818-R844 IonicContact OE2-NH1 2.74Å; E818-K845 HydrophobicContact CB-CB 3.64Å; E818-K845 PolarHBondContact N-O 3.01Å; E818-K845 PolarHBondContact O-N 3.22Å; E818-A992 VanDerWaalsContact OE1-CB 3.31Å; E818-A992 WeakPolarHBondContact OE1-CB 3.05Å
819	F	96.4	Very high	94	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	147.7	167.5	-70.2	-81.7	0	0	0	111.8	A774 L805 L808 N809 L812 S841 S842 L843 I935 P993	A774-F819 HydrophobicContact CB-CE1 3.99Å; A774-F819 HydrophobicContact CB-CE2 3.83Å; A774-F819 HydrophobicContact CB-CZ 3.49Å; A774-F819 VanDerWaalsContact CB-CZ 3.49Å; L805-F819 HydrophobicContact CD1-CB 4.15Å; L805-F819 HydrophobicContact CD2-CB 4.32Å; L805-F819 HydrophobicContact CD2-CD2 4.15Å; L805-F819 HydrophobicContact CD2-CG 4.18Å; L808-F819 HydrophobicContact CD2-CD2 4.17Å; L808-F819 HydrophobicContact CD2-CE2 3.69Å; L808-F819 HydrophobicContact CG-CD2 4.5Å; L808-F819 HydrophobicContact CG-CE2 4.22Å; N809-F819 PolarHBondContact ND2-O 2.87Å; N809-F819 PolarHBondContact OD1-N 2.99Å; L812-F819 HydrophobicContact CD1-CD2 4.41Å; L812-F819 HydrophobicContact CD1-CE2 3.88Å; F819-S841 WeakPolarHBondContact CD1-OG 3.23Å; F819-S842 CarbonylContact C-O 3.57Å; F819-S842 VanDerWaalsContact CA-O 3.3Å; F819-S842 WeakPolarHBondContact CA-O 3.47Å; F819-L843 HydrophobicContact CD1-CD2 3.87Å; F819-L843 HydrophobicContact CE1-CD2 3.72Å; F819-L843 HydrophobicContact CE1-CG 4.33Å; F819-L843 HydrophobicContact CG-CD2 4.36Å; F819-L843 HydrophobicContact CZ-CD2 4.1Å; F819-I935 HydrophobicContact CE1-CG2 4.06Å; F819-I935 HydrophobicContact CE2-CG2 3.65Å; F819-I935 HydrophobicContact CZ-CG2 3.21Å; F819-P993 VanDerWaalsContact O-CD 3.22Å; F819-P993 WeakPolarHBondContact O-CD 3.45Å
820	G	95.2	Very high	93.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	169.8	166	0	0	0	0	0	112.3	S842 T991	G820-S842 PolarHBondContact N-O 3.17Å; G820-T991 CarbonylContact C-O 3.4Å; G820-T991 VanDerWaalsContact CA-O 3.24Å; G820-T991 WeakPolarHBondContact CA-O 3.47Å
821	D	93.5	Very high	92.7	Very high	28 Å²	28	24.4 Å²	24.4	15%	0.15	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-1	-178.8	67.1	-8	0	0	0	114.5	Y777 N778 T991 P993	Y777-D821 WeakPolarHBondContact O-CA 3.48Å; N778-D821 VanDerWaalsContact CB-O 3.3Å; N778-D821 WeakPolarHBondContact CB-O 3.46Å; N778-D821 PolarHBondContact ND2-O 3.02Å; D821-T991 PolarHBondContact N-O 2.98Å; D821-T991 PolarHBondContact OD1-OG1 3.23Å; D821-T991 WeakPolarHBondContact OD2-CB 3.42Å; D821-T991 PolarHBondContact OD2-OG1 2.83Å; D821-P993 HydrophobicContact CB-CB 3.99Å
822	S	94.7	Very high	92	Very high	22 Å²	22	33.7 Å²	33.7	15%	0.154	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141	179.6	-57.5	0	0	0	0	110.7	F824 L990	S822-F824 VanDerWaalsContact CB-CZ 3.48Å; S822-L990 VanDerWaalsContact OG-CD2 3.31Å; S822-L990 WeakPolarHBondContact OG-CD2 3.23Å
823	V	95	Very high	91.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.8	-173.2	-174.6	0	0	0	0	110.1	L692 W776 N778 V781 D867 I868 G869	L692-V823 HydrophobicContact CD1-CG1 3.96Å; W776-V823 HydrophobicContact CB-CB 4.29Å; W776-V823 HydrophobicContact CB-CG1 3.66Å; W776-V823 HydrophobicContact CB-CG2 3.78Å; W776-V823 HydrophobicContact CE3-CG2 4.35Å; W776-V823 HydrophobicContact CG-CG1 4.19Å; N778-V823 HydrophobicContact CB-CG2 3.7Å; V781-V823 HydrophobicContact CG2-CG2 4.35Å; V823-D867 CarbonylContact O-C 3.42Å; V823-D867 WeakPolarHBondContact O-CA 3.47Å; V823-I868 HydrophobicContact CG1-CD1 4.12Å; V823-I868 HydrophobicContact CG1-CG1 3.93Å; V823-I868 WeakPolarHBondContact O-CG1 3.41Å; V823-I868 PolarHBondContact O-N 2.83Å; V823-G869 PolarHBondContact O-N 3.48Å; V823-G869 VanDerWaalsContact O-N 3.1Å
824	F	95.2	Very high	91.1	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.3	-172.2	-61.8	-72.8	0	0	0	112.3	S822 Y837 S839 G840 S842 L865 V866 D867 P911 P913 L990	S822-F824 VanDerWaalsContact CB-CZ 3.48Å; F824-Y837 HydrophobicContact CB-CD1 4.32Å; F824-Y837 HydrophobicContact CB-CE1 4.18Å; F824-Y837 WeakPolarHBondContact O-CD1 3.36Å; F824-S839 CarbonylContact O-C 3.57Å; F824-S839 WeakPolarHBondContact O-CA 3.4Å; F824-S839 PolarHBondContact O-N 3.29Å; F824-G840 PolarHBondContact N-O 3.02Å; F824-G840 PolarHBondContact O-N 3.26Å; F824-S842 VanDerWaalsContact CE2-OG 3.3Å; F824-S842 WeakPolarHBondContact CE2-OG 3.25Å; F824-L865 HydrophobicContact CB-CB 4.02Å; F824-L865 HydrophobicContact CB-CD1 3.94Å; F824-L865 HydrophobicContact CD1-CB 4.43Å; F824-V866 CarbonylContact C-O 3.55Å; F824-V866 VanDerWaalsContact CA-O 3.25Å; F824-V866 WeakPolarHBondContact CA-O 3.27Å; F824-D867 HydrophobicContact CD1-CB 4.17Å; F824-D867 HydrophobicContact CE1-CB 3.91Å; F824-P911 HydrophobicContact CD1-CG 4.2Å; F824-P911 HydrophobicContact CE1-CB 4.35Å; F824-P911 HydrophobicContact CE1-CG 3.51Å; F824-P911 HydrophobicContact CZ-CG 4.4Å; F824-P913 HydrophobicContact CD1-CG 3.91Å; F824-P913 HydrophobicContact CD2-CB 4.01Å; F824-P913 HydrophobicContact CD2-CG 3.88Å; F824-P913 HydrophobicContact CE1-CB 4.4Å; F824-P913 HydrophobicContact CE1-CG 4.06Å; F824-P913 HydrophobicContact CE2-CB 3.74Å; F824-P913 HydrophobicContact CE2-CG 4Å; F824-P913 HydrophobicContact CG-CB 4.45Å; F824-P913 HydrophobicContact CG-CG 3.82Å; F824-P913 HydrophobicContact CZ-CB 3.95Å; F824-P913 HydrophobicContact CZ-CG 4.09Å; F824-L990 HydrophobicContact CE2-CD2 4.48Å; F824-L990 HydrophobicContact CZ-CD2 4.26Å
825	S	93.4	Very high	90.8	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.6	168.7	-176.1	0	0	0	0	111.9	Y837 V866	S825-Y837 WeakPolarHBondContact CA-O 3.09Å; S825-Y837 WeakPolarHBondContact CB-O 3.36Å; S825-Y837 PolarHBondContact OG-O 3.45Å; S825-V866 PolarHBondContact N-O 2.66Å; S825-V866 PolarHBondContact O-N 2.87Å
826	G	91	Very high	90.5	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152	-177.7	176.1	0	0	0	0	0	111.6	Y837 L903	G826-Y837 PolarHBondContact N-O 2.75Å; G826-Y837 WeakPolarHBondContact O-CA 3.43Å; G826-Y837 VanDerWaalsContact O-CB 3.26Å; G826-Y837 WeakPolarHBondContact O-CB 3.37Å; G826-Y837 PolarHBondContact O-N 3.32Å; G826-L903 WeakPolarHBondContact CA-O 3.4Å
827	N	90.1	Very high	90.3	Very high	103 Å²	103	34.7 Å²	34.7	55%	0.551	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	133	177.1	-66.6	-22.1	0	0	0	109.7	T834 V835 A836	N827-T834 HydrophobicContact CB-CG2 3.78Å; N827-V835 WeakPolarHBondContact CA-O 3.33Å; N827-A836 VanDerWaalsContact OD1-CA 3.3Å; N827-A836 WeakPolarHBondContact OD1-CA 3.12Å; N827-A836 WeakPolarHBondContact OD1-CB 3.41Å
828	Y	89.7	Confident	90	Very high	15 Å²	15	36.4 Å²	36.4	6%	0.059	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.5	172.8	71.3	-82.3	0	0	0	110.2	I830 T834 V835 Y837 L861 A863 I915 Y936	Y828-I830 HydrophobicContact CD2-CD1 4.34Å; Y828-I830 HydrophobicContact CD2-CG1 3.98Å; Y828-I830 HydrophobicContact CE2-CD1 3.54Å; Y828-I830 HydrophobicContact CE2-CG1 3.67Å; Y828-T834 CarbonylContact O-C 3.6Å; Y828-T834 WeakPolarHBondContact O-CA 3.46Å; Y828-V835 HydrophobicContact CD1-CB 4.13Å; Y828-V835 HydrophobicContact CE1-CB 3.56Å; Y828-V835 HydrophobicContact CE1-CG1 3.63Å; Y828-V835 HydrophobicContact CE2-CB 4.08Å; Y828-V835 HydrophobicContact CE2-CG2 4.25Å; Y828-V835 PolarHBondContact N-O 3Å; Y828-V835 PolarHBondContact O-N 2.99Å; Y828-V835 WeakPolarHBondContact OH-CG1 3.44Å; Y828-Y837 HydrophobicContact CD1-CD2 4.45Å; Y828-Y837 AromaticContact CE1-CD2 3.84Å; Y828-Y837 HydrophobicContact CE1-CD2 3.84Å; Y828-Y837 HydrophobicContact CE1-CG 4.46Å; Y828-L861 HydrophobicContact CD2-CD2 4.5Å; Y828-L861 HydrophobicContact CE2-CD2 4.04Å; Y828-A863 HydrophobicContact CD1-CB 4.48Å; Y828-A863 HydrophobicContact CD2-CB 4.42Å; Y828-A863 HydrophobicContact CG-CB 3.98Å; Y828-I915 HydrophobicContact CD1-CD1 3.92Å; Y828-I915 HydrophobicContact CD2-CD1 3.94Å; Y828-I915 HydrophobicContact CE1-CD1 3.68Å; Y828-I915 HydrophobicContact CE2-CD1 3.68Å; Y828-I915 HydrophobicContact CG-CD1 4.05Å; Y828-Y936 VanDerWaalsContact OH-CE2 3.29Å; Y828-Y936 WeakPolarHBondContact OH-CE2 3.29Å; Y828-Y936 VanDerWaalsContact OH-CZ 3.31Å; Y828-Y936 PolarHBondContact OH-OH 2.78Å
829	V	86.7	Confident	89.8	Confident	70 Å²	70	34.7 Å²	34.7	42%	0.424	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.3	-174.3	179.9	0	0	0	0	109.2	R833 T834 Q976	V829-R833 CarbonylContact C-O 3.42Å; V829-R833 VanDerWaalsContact CA-O 3.26Å; V829-R833 WeakPolarHBondContact CA-O 3.17Å; V829-R833 WeakPolarHBondContact CG1-O 3.34Å; V829-T834 HydrophobicContact CG2-CG2 4.45Å; V829-Q976 VanDerWaalsContact O-CD 3.26Å; V829-Q976 PolarHBondContact O-NE2 2.65Å; V829-Q976 PolarHBondContact O-OE1 2.98Å
830	I	84	Confident	89.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.4	166.5	-58.9	175.7	0	0	0	110.8	Y828 H832 R833 L861 W953 L954 I972 L973	Y828-I830 HydrophobicContact CD2-CD1 4.34Å; Y828-I830 HydrophobicContact CD2-CG1 3.98Å; Y828-I830 HydrophobicContact CE2-CD1 3.54Å; Y828-I830 HydrophobicContact CE2-CG1 3.67Å; I830-H832 PolarHBondContact O-N 2.84Å; I830-R833 PolarHBondContact N-O 3.39Å; I830-R833 PolarHBondContact O-N 2.88Å; I830-L861 HydrophobicContact CD1-CD2 3.71Å; I830-L861 HydrophobicContact CG1-CD2 4.17Å; I830-W953 HydrophobicContact CB-CH2 3.51Å; I830-W953 HydrophobicContact CB-CZ2 4.13Å; I830-W953 HydrophobicContact CB-CZ3 4.43Å; I830-W953 HydrophobicContact CD1-CH2 3.56Å; I830-W953 HydrophobicContact CD1-CZ2 4.3Å; I830-W953 HydrophobicContact CG1-CH2 4.05Å; I830-W953 HydrophobicContact CG2-CH2 3.68Å; I830-W953 HydrophobicContact CG2-CZ3 4.14Å; I830-L954 HydrophobicContact CD1-CD1 4.28Å; I830-I972 HydrophobicContact CG2-CG1 4.1Å; I830-I972 WeakPolarHBondContact CG2-O 3.4Å; I830-L973 HydrophobicContact CD1-CD2 3.91Å; I830-L973 HydrophobicContact CG2-CD2 4Å
831	G	78.9	Confident	89.7	Confident	30 Å²	30	34.8 Å²	34.8	31%	0.309	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-102.7	-173.8	0	0	0	0	0	111.3
832	H	81.8	Confident	89.8	Confident	194 Å²	194	33.4 Å²	33.4	90%	0.898	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.5	11.1	175.8	-61.4	-22.1	0	0	0	113	I830	I830-H832 PolarHBondContact O-N 2.84Å
833	R	85.4	Confident	89.8	Confident	124 Å²	124	32.4 Å²	32.4	47%	0.468	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.1	-177.4	-61.9	-178.3	178.4	-128	-2.5	109.4	V829 I830 W953	V829-R833 CarbonylContact C-O 3.42Å; V829-R833 VanDerWaalsContact CA-O 3.26Å; V829-R833 WeakPolarHBondContact CA-O 3.17Å; V829-R833 WeakPolarHBondContact CG1-O 3.34Å; I830-R833 PolarHBondContact N-O 3.39Å; I830-R833 PolarHBondContact O-N 2.88Å; R833-W953 HydrophobicContact CB-CZ2 4Å; R833-W953 VanDerWaalsContact CD-CD2 3.49Å
834	T	86.6	Confident	89.7	Confident	83 Å²	83	34.4 Å²	34.4	51%	0.509	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.5	171.3	-53.4	0	0	0	0	108.4	N827 Y828 V829	N827-T834 HydrophobicContact CB-CG2 3.78Å; Y828-T834 CarbonylContact O-C 3.6Å; Y828-T834 WeakPolarHBondContact O-CA 3.46Å; V829-T834 HydrophobicContact CG2-CG2 4.45Å
835	V	89.1	Confident	89.6	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.9	173.5	-174.2	0	0	0	0	107.2	N827 Y828 C951 W953	N827-V835 WeakPolarHBondContact CA-O 3.33Å; Y828-V835 HydrophobicContact CD1-CB 4.13Å; Y828-V835 HydrophobicContact CE1-CB 3.56Å; Y828-V835 HydrophobicContact CE1-CG1 3.63Å; Y828-V835 HydrophobicContact CE2-CB 4.08Å; Y828-V835 HydrophobicContact CE2-CG2 4.25Å; Y828-V835 PolarHBondContact N-O 3Å; Y828-V835 PolarHBondContact O-N 2.99Å; Y828-V835 WeakPolarHBondContact OH-CG1 3.44Å; V835-C951 HydrophobicContact CG1-CB 4.06Å; V835-W953 HydrophobicContact CG2-CH2 4.39Å; V835-W953 HydrophobicContact CG2-CZ2 3.39Å
836	A	89.1	Confident	89.6	Confident	6 Å²	6	36.8 Å²	36.8	5%	0.05	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.5	170	0	0	0	0	0	108.9	N827 H838 S949	N827-A836 VanDerWaalsContact OD1-CA 3.3Å; N827-A836 WeakPolarHBondContact OD1-CA 3.12Å; N827-A836 WeakPolarHBondContact OD1-CB 3.41Å; A836-H838 WeakPolarHBondContact CB-NE2 3.49Å; A836-S949 WeakPolarHBondContact CB-OG 3.42Å
837	Y	91.1	Very high	89.6	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.7	177.1	-158.6	-97.1	0	0	0	106.5	F824 S825 G826 Y828 S841 L865 I915 Y936 G937 D938	F824-Y837 HydrophobicContact CB-CD1 4.32Å; F824-Y837 HydrophobicContact CB-CE1 4.18Å; F824-Y837 WeakPolarHBondContact O-CD1 3.36Å; S825-Y837 WeakPolarHBondContact CA-O 3.09Å; S825-Y837 WeakPolarHBondContact CB-O 3.36Å; S825-Y837 PolarHBondContact OG-O 3.45Å; G826-Y837 PolarHBondContact N-O 2.75Å; G826-Y837 WeakPolarHBondContact O-CA 3.43Å; G826-Y837 VanDerWaalsContact O-CB 3.26Å; G826-Y837 WeakPolarHBondContact O-CB 3.37Å; G826-Y837 PolarHBondContact O-N 3.32Å; Y828-Y837 HydrophobicContact CD1-CD2 4.45Å; Y828-Y837 AromaticContact CE1-CD2 3.84Å; Y828-Y837 HydrophobicContact CE1-CD2 3.84Å; Y828-Y837 HydrophobicContact CE1-CG 4.46Å; Y837-S841 PolarHBondContact OH-O 3.24Å; Y837-L865 HydrophobicContact CD1-CD1 3.55Å; Y837-L865 HydrophobicContact CE1-CD1 3.95Å; Y837-L865 HydrophobicContact CG-CD1 3.88Å; Y837-I915 HydrophobicContact CD2-CD1 4.38Å; Y837-I915 HydrophobicContact CE1-CG2 4.32Å; Y837-I915 HydrophobicContact CE2-CB 3.95Å; Y837-I915 HydrophobicContact CE2-CD1 4.35Å; Y837-I915 HydrophobicContact CE2-CG2 4.03Å; Y837-Y936 HydrophobicContact CD2-CE2 4.41Å; Y837-Y936 AromaticContact CD2-CZ 3.93Å; Y837-Y936 VanDerWaalsContact CD2-OH 3.26Å; Y837-Y936 WeakPolarHBondContact CD2-OH 3.32Å; Y837-Y936 HydrophobicContact CE2-CE1 4.31Å; Y837-Y936 AromaticContact CE2-CE2 3.94Å; Y837-Y936 HydrophobicContact CE2-CE2 3.94Å; Y837-Y936 AromaticContact CE2-CZ 3.68Å; Y837-G937 WeakPolarHBondContact OH-CA 3.44Å; Y837-G937 PolarHBondContact OH-O 3.24Å; Y837-D938 HydrophobicContact CD2-CB 3.64Å; Y837-D938 HydrophobicContact CE1-CB 4.18Å; Y837-D938 HydrophobicContact CE2-CB 3.21Å; Y837-D938 HydrophobicContact CG-CB 4.26Å; Y837-D938 VanDerWaalsContact CZ-CB 3.49Å
838	H	87.8	Confident	89.2	Confident	39 Å²	39	32.7 Å²	32.7	18%	0.181	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	96.3	-168.6	-74.8	-79.5	0	0	0	108.4	D691 A836 G840 D938 D940	D691-H838 HydrophobicContact CB-CB 4.25Å; D691-H838 IonicContact OD1-ND1 3.55Å; D691-H838 IonicContact OD2-ND1 3.33Å; D691-H838 PolarHBondContact OD2-ND1 3.36Å; A836-H838 WeakPolarHBondContact CB-NE2 3.49Å; H838-G840 VanDerWaalsContact C-N 3.27Å; H838-G840 PolarHBondContact O-N 3.01Å; H838-D938 PolarHBondContact N-OD1 2.84Å; H838-D938 VanDerWaalsContact O-OD1 3.13Å; H838-D940 HydrophobicContact CB-CB 3.84Å; H838-D940 WeakPolarHBondContact CB-OD2 3.11Å
839	S	90.7	Very high	88.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.1	38.7	176.5	-42.1	0	0	0	0	113.7	D690 L692 W776 F824 I868	D690-S839 VanDerWaalsContact O-CB 3.28Å; D690-S839 WeakPolarHBondContact O-CB 3.4Å; L692-S839 WeakPolarHBondContact CB-OG 3.42Å; L692-S839 PolarHBondContact N-OG 3.48Å; W776-S839 WeakPolarHBondContact CB-O 3.03Å; W776-S839 PolarHBondContact N-O 3.13Å; F824-S839 CarbonylContact O-C 3.57Å; F824-S839 WeakPolarHBondContact O-CA 3.4Å; F824-S839 PolarHBondContact O-N 3.29Å; S839-I868 VanDerWaalsContact OG-CD1 3.29Å; S839-I868 WeakPolarHBondContact OG-CD1 3.31Å
840	G	93.5	Very high	88.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	172.2	176.6	0	0	0	0	0	113.9	F824 H838 G937	F824-G840 PolarHBondContact N-O 3.02Å; F824-G840 PolarHBondContact O-N 3.26Å; H838-G840 VanDerWaalsContact C-N 3.27Å; H838-G840 PolarHBondContact O-N 3.01Å; G840-G937 CarbonylContact C-O 3.58Å; G840-G937 WeakPolarHBondContact CA-O 3.43Å
841	S	95.8	Very high	88.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-169.8	175	60.6	0	0	0	0	112.9	D775 L805 F819 Y837 G937	D775-S841 VanDerWaalsContact O-CB 3.26Å; D775-S841 WeakPolarHBondContact O-CB 3.21Å; D775-S841 PolarHBondContact O-OG 2.71Å; D775-S841 VanDerWaalsContact O-OG 3.05Å; L805-S841 VanDerWaalsContact CD1-CB 3.46Å; F819-S841 WeakPolarHBondContact CD1-OG 3.23Å; Y837-S841 PolarHBondContact OH-O 3.24Å; S841-G937 PolarHBondContact N-O 2.99Å; S841-G937 PolarHBondContact OG-O 2.02Å
842	S	95.3	Very high	89.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	155.9	175.5	65.8	0	0	0	0	112.5	F819 G820 F824 R844 T914 L990	F819-S842 CarbonylContact C-O 3.57Å; F819-S842 VanDerWaalsContact CA-O 3.3Å; F819-S842 WeakPolarHBondContact CA-O 3.47Å; G820-S842 PolarHBondContact N-O 3.17Å; F824-S842 VanDerWaalsContact CE2-OG 3.3Å; F824-S842 WeakPolarHBondContact CE2-OG 3.25Å; S842-R844 PolarHBondContact O-N 2.83Å; S842-T914 CarbonylContact C-O 3.57Å; S842-T914 WeakPolarHBondContact CA-O 3.41Å; S842-T914 WeakPolarHBondContact CB-O 3.42Å; S842-L990 WeakPolarHBondContact OG-CD1 3.49Å
843	L	95	Very high	89.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.6	179.8	-67	173.6	0	0	0	111	I817 F819 F846 T914 I935 I986	I817-L843 HydrophobicContact CG2-CD2 4.13Å; F819-L843 HydrophobicContact CD1-CD2 3.87Å; F819-L843 HydrophobicContact CE1-CD2 3.72Å; F819-L843 HydrophobicContact CE1-CG 4.33Å; F819-L843 HydrophobicContact CG-CD2 4.36Å; F819-L843 HydrophobicContact CZ-CD2 4.1Å; L843-F846 HydrophobicContact CD1-CD2 3.88Å; L843-F846 HydrophobicContact CD1-CE2 4.22Å; L843-F846 HydrophobicContact CD2-CD2 4.44Å; L843-T914 HydrophobicContact CB-CG2 4.16Å; L843-T914 HydrophobicContact CD1-CG2 4.25Å; L843-T914 PolarHBondContact N-O 3.07Å; L843-I935 HydrophobicContact CD2-CB 4.47Å; L843-I935 HydrophobicContact CD2-CG2 3.85Å; L843-I986 HydrophobicContact CB-CD1 4.34Å
844	R	93.1	Very high	89.3	Confident	43 Å²	43	36.1 Å²	36.1	16%	0.162	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-37.3	173.7	-175.8	-175.4	-174.4	-134.2	-2	111.1	E818 S842 W985 I986 L990	E818-R844 PolarHBondContact O-N 3.08Å; E818-R844 IonicContact OE1-CZ 2.64Å; E818-R844 IonicContact OE1-NH1 3.56Å; E818-R844 PolarHBondContact OE1-NH1 3.01Å; E818-R844 IonicContact OE2-NH1 2.74Å; S842-R844 PolarHBondContact O-N 2.83Å; R844-W985 HydrophobicContact CG-CE3 3.69Å; R844-W985 HydrophobicContact CG-CZ3 3.55Å; R844-W985 VanDerWaalsContact NH1-CZ3 3.31Å; R844-I986 PolarHBondContact O-N 2.96Å; R844-L990 HydrophobicContact CB-CB 4.36Å; R844-L990 HydrophobicContact CB-CD1 4.33Å; R844-L990 HydrophobicContact CG-CB 4.07Å; R844-L990 PolarHBondContact NE-O 3.04Å
845	K	92.6	Very high	89.4	Confident	50 Å²	50	36.3 Å²	36.3	22%	0.217	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.9	-178	-161.3	-179.1	-176.6	-171.2	0	111.5	N816 I817 E818	N816-K845 VanDerWaalsContact CG-CE 3.49Å; N816-K845 WeakPolarHBondContact OD1-CE 3.1Å; N816-K845 PolarHBondContact OD1-NZ 3.49Å; I817-K845 WeakPolarHBondContact CA-O 3.37Å; E818-K845 HydrophobicContact CB-CB 3.64Å; E818-K845 PolarHBondContact N-O 3.01Å; E818-K845 PolarHBondContact O-N 3.22Å
846	F	93.4	Very high	89.3	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.026	19%	0.193	C	C	.	.			trans	-154.7	145.8	173.8	-153	-96.2	0	0	0	108.6	N816 I817 L843 T858 L860 G917 W919 I935 I986	N816-F846 CarbonylContact O-C 3.54Å; N816-F846 WeakPolarHBondContact O-CA 3.17Å; I817-F846 HydrophobicContact CB-CD2 4.41Å; I817-F846 HydrophobicContact CD1-CD2 4.08Å; I817-F846 HydrophobicContact CD1-CE2 3.7Å; I817-F846 HydrophobicContact CD1-CZ 4.19Å; I817-F846 HydrophobicContact CG1-CD2 3.75Å; I817-F846 HydrophobicContact CG1-CE2 3.92Å; I817-F846 HydrophobicContact CG1-CG 4.31Å; I817-F846 HydrophobicContact CG2-CD2 3.98Å; I817-F846 HydrophobicContact CG2-CE2 4.29Å; L843-F846 HydrophobicContact CD1-CD2 3.88Å; L843-F846 HydrophobicContact CD1-CE2 4.22Å; L843-F846 HydrophobicContact CD2-CD2 4.44Å; F846-T858 HydrophobicContact CD1-CG2 3.4Å; F846-T858 VanDerWaalsContact CD1-CG2 3.4Å; F846-T858 HydrophobicContact CE1-CG2 3.76Å; F846-L860 HydrophobicContact CB-CD2 4.15Å; F846-L860 HydrophobicContact CD1-CD2 3.86Å; F846-L860 HydrophobicContact CE1-CD2 4.36Å; F846-L860 HydrophobicContact CG-CD2 3.95Å; F846-G917 WeakPolarHBondContact CZ-O 3.27Å; F846-W919 HydrophobicContact CE1-CB 3.82Å; F846-W919 HydrophobicContact CZ-CB 4.13Å; F846-I935 HydrophobicContact CE2-CB 4.13Å; F846-I935 HydrophobicContact CE2-CG1 3.89Å; F846-I986 HydrophobicContact CB-CD1 3.4Å; F846-I986 VanDerWaalsContact CB-CD1 3.4Å; F846-I986 HydrophobicContact CB-CG1 4.48Å
847	P	91.7	Very high	89.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.			trans	-59.3	157.3	175	25.8	-35.2	0	0	0	110.4	F815 N816 I817 I851 T858 W919	F815-P847 WeakPolarHBondContact O-CD 3.47Å; F815-P847 WeakPolarHBondContact O-CG 3.36Å; N816-P847 HydrophobicContact CB-CB 4.45Å; N816-P847 WeakPolarHBondContact O-CD 3.19Å; I817-P847 HydrophobicContact CG1-CG 4.25Å; P847-I851 HydrophobicContact CB-CD1 4.26Å; P847-I851 HydrophobicContact CB-CG1 3.88Å; P847-I851 HydrophobicContact CG-CD1 3.81Å; P847-I851 HydrophobicContact CG-CG1 4.01Å; P847-T858 WeakPolarHBondContact O-CB 3.43Å; P847-T858 VanDerWaalsContact O-CG2 3.22Å; P847-T858 WeakPolarHBondContact O-CG2 3.3Å; P847-T858 PolarHBondContact O-OG1 3.14Å; P847-W919 HydrophobicContact CG-CG 4.24Å
848	N	81.7	Confident	89.2	Confident	20 Å²	20	43.4 Å²	43.4	11%	0.107	22%	0.218	C	C	.	.	S	Bend	trans	-121.4	-47.5	173.8	169.8	9.5	0	0	0	111.3	T858 P980 T982 E983	N848-T858 WeakPolarHBondContact CA-OG1 3.32Å; N848-T858 PolarHBondContact O-OG1 3.28Å; N848-P980 HydrophobicContact CB-CG 4.14Å; N848-P980 PolarHBondContact ND2-O 2.86Å; N848-P980 PolarHBondContact OD1-O 2.98Å; N848-T982 PolarHBondContact ND2-N 2.88Å; N848-E983 HydrophobicContact CB-CG 3.42Å; N848-E983 VanDerWaalsContact CB-CG 3.42Å; N848-E983 PolarHBondContact N-OE1 2.84Å
849	R	79	Confident	89.4	Confident	178 Å²	178	42.4 Å²	42.4	67%	0.672	22%	0.215	S	C	*	.	S	Bend	trans	-110.5	-39.2	-173.4	-69.5	-172.9	179.4	-177.1	0.8	115.1	T855 G856 E983	R849-T855 CarbonylContact O-C 3.47Å; R849-T855 WeakPolarHBondContact O-CA 3.44Å; R849-G856 PolarHBondContact O-N 2.94Å; R849-E983 PolarHBondContact N-OE1 2.85Å
850	A	86.7	Confident	89.5	Confident	42 Å²	42	42.4 Å²	42.4	35%	0.347	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	147.7	-174.7	0	0	0	0	0	113.4	H854 E983	A850-H854 VanDerWaalsContact CA-O 3.23Å; A850-H854 WeakPolarHBondContact CA-O 3.45Å; A850-E983 PolarHBondContact N-OE1 3.11Å
851	I	88.8	Confident	89.4	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.5	166	-59.7	175.6	0	0	0	106.4	F760 T764 F815 P847 N853 H854 W919 M930 L933	F760-I851 HydrophobicContact CE2-CG2 3.87Å; F760-I851 HydrophobicContact CZ-CG2 4.3Å; T764-I851 HydrophobicContact CG2-CG2 4.49Å; F815-I851 HydrophobicContact CB-CD1 4.43Å; F815-I851 HydrophobicContact CD1-CD1 4.43Å; F815-I851 HydrophobicContact CD1-CG2 4.06Å; P847-I851 HydrophobicContact CB-CD1 4.26Å; P847-I851 HydrophobicContact CB-CG1 3.88Å; P847-I851 HydrophobicContact CG-CD1 3.81Å; P847-I851 HydrophobicContact CG-CG1 4.01Å; I851-N853 PolarHBondContact O-N 3.27Å; I851-H854 PolarHBondContact N-O 3.01Å; I851-H854 WeakPolarHBondContact O-CB 3.29Å; I851-H854 PolarHBondContact O-N 3.3Å; I851-W919 HydrophobicContact CB-CH2 4.27Å; I851-W919 HydrophobicContact CB-CZ2 3.98Å; I851-W919 HydrophobicContact CD1-CD2 3.44Å; I851-W919 VanDerWaalsContact CD1-CD2 3.44Å; I851-W919 VanDerWaalsContact CD1-CE2 3.45Å; I851-W919 HydrophobicContact CD1-CE3 3.8Å; I851-W919 HydrophobicContact CD1-CG 3.83Å; I851-W919 HydrophobicContact CD1-CH2 4.17Å; I851-W919 HydrophobicContact CD1-CZ2 3.83Å; I851-W919 HydrophobicContact CD1-CZ3 4.16Å; I851-W919 HydrophobicContact CG1-CD2 4.2Å; I851-W919 HydrophobicContact CG1-CH2 4.35Å; I851-W919 HydrophobicContact CG1-CZ2 3.74Å; I851-M930 HydrophobicContact CB-CE 3.96Å; I851-M930 HydrophobicContact CB-SD 4.48Å; I851-M930 HydrophobicContact CD1-CE 3.86Å; I851-M930 HydrophobicContact CG2-CE 3.84Å; I851-L933 HydrophobicContact CD1-CD1 3.55Å
852	A	84.6	Confident	89.3	Confident	67 Å²	67	46.6 Å²	46.6	55%	0.554	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	-122.5	-166.8	0	0	0	0	0	111.7	F760	F760-A852 HydrophobicContact CE1-CB 4.47Å; F760-A852 HydrophobicContact CZ-CB 3.96Å
853	N	83.7	Confident	89.1	Confident	162 Å²	162	46.9 Å²	46.9	87%	0.866	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.1	-179.1	-63.5	-28.5	0	0	0	113.2	I851	I851-N853 PolarHBondContact O-N 3.27Å
854	H	86.5	Confident	89	Confident	52 Å²	52	49.1 Å²	49.1	24%	0.241	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.8	-178.2	-58.8	-73.2	0	0	0	110.5	T764 A850 I851 W919 M930	T764-H854 PolarHBondContact O-NE2 3.23Å; A850-H854 VanDerWaalsContact CA-O 3.23Å; A850-H854 WeakPolarHBondContact CA-O 3.45Å; I851-H854 PolarHBondContact N-O 3.01Å; I851-H854 WeakPolarHBondContact O-CB 3.29Å; I851-H854 PolarHBondContact O-N 3.3Å; H854-W919 HydrophobicContact CB-CH2 4.04Å; H854-M930 HydrophobicContact CB-SD 3.73Å; H854-M930 VanDerWaalsContact CD2-SD 3.53Å
855	T	87.2	Confident	89	Confident	87 Å²	87	47 Å²	47	53%	0.534	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.9	167.5	55.5	0	0	0	0	109.6	R849 P921 I922	R849-T855 CarbonylContact O-C 3.47Å; R849-T855 WeakPolarHBondContact O-CA 3.44Å; T855-P921 CarbonylContact O-C 3.51Å; T855-P921 WeakPolarHBondContact O-CA 3.34Å; T855-I922 PolarHBondContact O-N 3.31Å
856	G	88	Confident	89.1	Confident	5 Å²	5	44.7 Å²	44.7	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	178.3	-171.2	0	0	0	0	0	113.1	R849 T920	R849-G856 PolarHBondContact O-N 2.94Å; G856-T920 CarbonylContact C-O 3.53Å; G856-T920 WeakPolarHBondContact CA-O 3.45Å
857	R	87.4	Confident	89.1	Confident	151 Å²	151	46.2 Å²	46.2	57%	0.57	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.8	174.8	-66	177.8	-172.8	173.9	3.3	109.2	T920 I922	R857-T920 HydrophobicContact CB-CG2 4.34Å; R857-T920 PolarHBondContact N-O 3.1Å; R857-T920 PolarHBondContact O-N 3.08Å; R857-I922 HydrophobicContact CG-CD1 3.87Å; R857-I922 HydrophobicContact CG-CG1 3.7Å
858	T	91.1	Very high	89.1	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.2	179.7	-64.9	0	0	0	0	110.5	F846 P847 N848 L860 L918 W919 T979 P980	F846-T858 HydrophobicContact CD1-CG2 3.4Å; F846-T858 VanDerWaalsContact CD1-CG2 3.4Å; F846-T858 HydrophobicContact CE1-CG2 3.76Å; P847-T858 WeakPolarHBondContact O-CB 3.43Å; P847-T858 VanDerWaalsContact O-CG2 3.22Å; P847-T858 WeakPolarHBondContact O-CG2 3.3Å; P847-T858 PolarHBondContact O-OG1 3.14Å; N848-T858 WeakPolarHBondContact CA-OG1 3.32Å; N848-T858 PolarHBondContact O-OG1 3.28Å; T858-L860 HydrophobicContact CG2-CD2 3.86Å; T858-L860 HydrophobicContact CG2-CG 3.96Å; T858-L918 WeakPolarHBondContact CA-O 3.19Å; T858-W919 VanDerWaalsContact OG1-CD1 3.22Å; T858-T979 WeakPolarHBondContact O-CG2 3.23Å; T858-P980 HydrophobicContact CG2-CG 3.78Å
859	V	90.9	Very high	89.5	Confident	18 Å²	18	45.3 Å²	45.3	11%	0.109	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.3	178.4	-177.9	0	0	0	0	108.2	L918 I969 M977 T979	V859-L918 PolarHBondContact N-O 3.22Å; V859-L918 PolarHBondContact O-N 3.32Å; V859-I969 HydrophobicContact CB-CD1 3.58Å; V859-I969 HydrophobicContact CG1-CD1 3.77Å; V859-I969 HydrophobicContact CG2-CD1 3.35Å; V859-M977 HydrophobicContact CB-CE 4.15Å; V859-M977 HydrophobicContact CG1-CB 3.17Å; V859-M977 HydrophobicContact CG1-CE 3.66Å; V859-M977 HydrophobicContact CG1-CG 3.99Å; V859-M977 HydrophobicContact CG1-SD 3.66Å; V859-M977 WeakPolarHBondContact O-CE 3.3Å; V859-T979 HydrophobicContact CG2-CG2 4.09Å
860	L	93.3	Very high	90	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.9	-171.2	-60.6	179	0	0	0	110.6	F846 T858 T914 L916 M977 F978 P980 I986	F846-L860 HydrophobicContact CB-CD2 4.15Å; F846-L860 HydrophobicContact CD1-CD2 3.86Å; F846-L860 HydrophobicContact CE1-CD2 4.36Å; F846-L860 HydrophobicContact CG-CD2 3.95Å; T858-L860 HydrophobicContact CG2-CD2 3.86Å; T858-L860 HydrophobicContact CG2-CG 3.96Å; L860-T914 HydrophobicContact CB-CG2 3.93Å; L860-T914 HydrophobicContact CD1-CG2 4.33Å; L860-T914 HydrophobicContact CD2-CG2 4.14Å; L860-T914 HydrophobicContact CG-CG2 4.35Å; L860-L916 WeakPolarHBondContact CA-O 3.36Å; L860-M977 CarbonylContact O-C 3.36Å; L860-M977 WeakPolarHBondContact O-CA 3.4Å; L860-M977 WeakPolarHBondContact O-CB 3.44Å; L860-F978 HydrophobicContact CB-CD1 4.43Å; L860-F978 HydrophobicContact CB-CE1 3.8Å; L860-F978 HydrophobicContact CB-CE2 4.14Å; L860-F978 HydrophobicContact CB-CZ 3.63Å; L860-F978 HydrophobicContact CD1-CE2 4.1Å; L860-F978 HydrophobicContact CD1-CZ 3.99Å; L860-F978 HydrophobicContact CG-CZ 4.44Å; L860-F978 PolarHBondContact N-O 3.11Å; L860-F978 VanDerWaalsContact O-CD1 3.25Å; L860-F978 WeakPolarHBondContact O-CD1 3.06Å; L860-F978 WeakPolarHBondContact O-CE1 3.44Å; L860-F978 PolarHBondContact O-N 3.46Å; L860-P980 HydrophobicContact CD1-CB 4.06Å; L860-P980 HydrophobicContact CD1-CG 3.84Å; L860-P980 HydrophobicContact CG-CG 4.32Å; L860-I986 HydrophobicContact CD1-CD1 3.56Å; L860-I986 HydrophobicContact CD1-CG1 3.88Å; L860-I986 HydrophobicContact CD1-CG2 4.37Å; L860-I986 HydrophobicContact CD2-CD1 4.12Å
861	L	92.9	Very high	90.1	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.9	170.9	-172.9	67.9	0	0	0	109.8	Y828 I830 T914 I915 L916 Q976 M977	Y828-L861 HydrophobicContact CD2-CD2 4.5Å; Y828-L861 HydrophobicContact CE2-CD2 4.04Å; I830-L861 HydrophobicContact CD1-CD2 3.71Å; I830-L861 HydrophobicContact CG1-CD2 4.17Å; L861-T914 CarbonylContact O-C 3.55Å; L861-T914 WeakPolarHBondContact O-CA 3.5Å; L861-T914 WeakPolarHBondContact O-CG2 3.35Å; L861-I915 HydrophobicContact CD2-CD1 4.17Å; L861-I915 HydrophobicContact CD2-CG1 4.26Å; L861-I915 HydrophobicContact CG-CG1 4.41Å; L861-I915 PolarHBondContact O-N 2.8Å; L861-L916 HydrophobicContact CB-CB 3.84Å; L861-L916 HydrophobicContact CD2-CB 4.33Å; L861-L916 HydrophobicContact CD2-CD2 4.44Å; L861-L916 PolarHBondContact N-O 3.27Å; L861-Q976 HydrophobicContact CD1-CB 3.75Å; L861-M977 HydrophobicContact CB-CE 4.46Å; L861-M977 HydrophobicContact CB-CG 4.14Å; L861-M977 HydrophobicContact CD1-CG 4.12Å
862	K	92.1	Very high	89.8	Confident	85 Å²	85	40.8 Å²	40.8	37%	0.37	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	142.6	169.2	-80.9	175.5	174.5	-167.4	0	110	P913 T914 F978	K862-P913 VanDerWaalsContact CA-O 3.26Å; K862-P913 WeakPolarHBondContact CA-O 3.43Å; K862-T914 WeakPolarHBondContact CE-OG1 3.31Å; K862-T914 VanDerWaalsContact CG-OG1 3.3Å; K862-T914 WeakPolarHBondContact CG-OG1 3.46Å; K862-F978 HydrophobicContact CB-CE1 4.1Å; K862-F978 HydrophobicContact CD-CE1 3.68Å; K862-F978 HydrophobicContact CD-CZ 3.72Å; K862-F978 HydrophobicContact CG-CE1 3.64Å; K862-F978 HydrophobicContact CG-CZ 3.99Å
863	A	91.5	Very high	89.8	Confident	6 Å²	6	39 Å²	39	5%	0.05	20%	0.195	C	C	.	.			trans	-128.3	140.8	176.5	0	0	0	0	0	109.8	Y828 L865 T912 P913 I915	Y828-A863 HydrophobicContact CD1-CB 4.48Å; Y828-A863 HydrophobicContact CD2-CB 4.42Å; Y828-A863 HydrophobicContact CG-CB 3.98Å; A863-L865 HydrophobicContact CB-CD1 4.13Å; A863-L865 HydrophobicContact CB-CD2 4.39Å; A863-L865 HydrophobicContact CB-CG 3.93Å; A863-L865 PolarHBondContact O-N 3.43Å; A863-T912 CarbonylContact O-C 3.59Å; A863-T912 VanDerWaalsContact O-CA 3.24Å; A863-T912 WeakPolarHBondContact O-CA 3.37Å; A863-P913 PolarHBondContact N-O 2.86Å; A863-P913 WeakPolarHBondContact O-CD 3.23Å; A863-I915 HydrophobicContact CB-CD1 3.53Å; A863-I915 HydrophobicContact CB-CG1 4.08Å; A863-I915 HydrophobicContact CB-CG2 4.4Å
864	N	92.3	Very high	89.8	Confident	46 Å²	46	36 Å²	36	25%	0.246	18%	0.176	C	C	.	.			trans	-76.6	112.3	171.2	-172.7	5.2	0	0	0	108.3	P905 P911 T912	N864-P905 WeakPolarHBondContact O-CG 3.46Å; N864-P905 WeakPolarHBondContact OD1-CB 3.15Å; N864-P911 PolarHBondContact OD1-O 2.94Å; N864-T912 HydrophobicContact CB-CG2 4.05Å
865	L	94.2	Very high	89.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.			trans	-136.9	160.7	-172.1	-65.9	177	0	0	0	110.2	F824 Y837 A863 D910 P911 P913 I915	F824-L865 HydrophobicContact CB-CB 4.02Å; F824-L865 HydrophobicContact CB-CD1 3.94Å; F824-L865 HydrophobicContact CD1-CB 4.43Å; Y837-L865 HydrophobicContact CD1-CD1 3.55Å; Y837-L865 HydrophobicContact CE1-CD1 3.95Å; Y837-L865 HydrophobicContact CG-CD1 3.88Å; A863-L865 HydrophobicContact CB-CD1 4.13Å; A863-L865 HydrophobicContact CB-CD2 4.39Å; A863-L865 HydrophobicContact CB-CG 3.93Å; A863-L865 PolarHBondContact O-N 3.43Å; L865-D910 WeakPolarHBondContact O-CB 3.39Å; L865-P911 PolarHBondContact N-O 2.72Å; L865-P913 HydrophobicContact CB-CG 4.21Å; L865-P913 HydrophobicContact CD1-CG 4.12Å; L865-I915 HydrophobicContact CD1-CG2 3.69Å
866	V	94	Very high	88.5	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.4	178.1	-165.9	0	0	0	0	109.8	F824 S825 I868 R902 P905	F824-V866 CarbonylContact C-O 3.55Å; F824-V866 VanDerWaalsContact CA-O 3.25Å; F824-V866 WeakPolarHBondContact CA-O 3.27Å; S825-V866 PolarHBondContact N-O 2.66Å; S825-V866 PolarHBondContact O-N 2.87Å; V866-I868 HydrophobicContact CB-CG2 4.45Å; V866-I868 PolarHBondContact O-N 3.42Å; V866-R902 WeakPolarHBondContact CG1-O 3.37Å; V866-P905 HydrophobicContact CG2-CB 3.99Å
867	D	93.3	Very high	87.6	Confident	38 Å²	38	40.1 Å²	40.1	20%	0.203	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	93.1	167.5	-175.9	-12.4	0	0	0	108.9	V823 F824 G869 N870 Q871	V823-D867 CarbonylContact O-C 3.42Å; V823-D867 WeakPolarHBondContact O-CA 3.47Å; F824-D867 HydrophobicContact CD1-CB 4.17Å; F824-D867 HydrophobicContact CE1-CB 3.91Å; D867-G869 PolarHBondContact OD1-N 2.62Å; D867-N870 HydrophobicContact CB-CB 4.45Å; D867-N870 WeakPolarHBondContact OD1-CB 3.47Å; D867-N870 PolarHBondContact OD1-N 2.81Å; D867-N870 WeakPolarHBondContact OD2-CB 3.44Å; D867-Q871 PolarHBondContact O-NE2 2.99Å
868	I	91.8	Very high	86.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-79.9	-25.6	177.6	59.4	157.9	0	0	0	111.2	L692 V823 S839 V866 N870 Q871 F872 L903	L692-I868 HydrophobicContact CB-CD1 4.35Å; L692-I868 HydrophobicContact CD1-CD1 4.48Å; V823-I868 HydrophobicContact CG1-CD1 4.12Å; V823-I868 HydrophobicContact CG1-CG1 3.93Å; V823-I868 WeakPolarHBondContact O-CG1 3.41Å; V823-I868 PolarHBondContact O-N 2.83Å; S839-I868 VanDerWaalsContact OG-CD1 3.29Å; S839-I868 WeakPolarHBondContact OG-CD1 3.31Å; V866-I868 HydrophobicContact CB-CG2 4.45Å; V866-I868 PolarHBondContact O-N 3.42Å; I868-N870 VanDerWaalsContact C-N 3.33Å; I868-N870 PolarHBondContact O-N 2.87Å; I868-Q871 WeakPolarHBondContact O-CB 3.37Å; I868-Q871 PolarHBondContact O-N 3.03Å; I868-Q871 VanDerWaalsContact O-N 3.11Å; I868-F872 HydrophobicContact CD1-CE2 4.42Å; I868-F872 VanDerWaalsContact O-CD2 3.32Å; I868-F872 WeakPolarHBondContact O-CD2 3.39Å; I868-F872 PolarHBondContact O-N 2.96Å; I868-L903 HydrophobicContact CG2-CD2 4.08Å
869	G	90.3	Very high	84.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-47.1	176.2	0	0	0	0	0	111.2	V823 D867 Q871 F872 I873	V823-G869 PolarHBondContact O-N 3.48Å; V823-G869 VanDerWaalsContact O-N 3.1Å; D867-G869 PolarHBondContact OD1-N 2.62Å; G869-Q871 VanDerWaalsContact C-N 3.33Å; G869-Q871 PolarHBondContact O-N 2.71Å; G869-F872 WeakPolarHBondContact O-CB 3.42Å; G869-F872 PolarHBondContact O-N 2.86Å; G869-I873 WeakPolarHBondContact O-CD1 3.48Å; G869-I873 VanDerWaalsContact O-CG1 3.23Å; G869-I873 WeakPolarHBondContact O-CG1 3.37Å; G869-I873 PolarHBondContact O-N 3.5Å
870	N	89.2	Confident	83	Confident	74 Å²	74	46 Å²	46	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-34.7	175.6	-166	4	0	0	0	112.5	D867 I868 I873 Q874	D867-N870 HydrophobicContact CB-CB 4.45Å; D867-N870 WeakPolarHBondContact OD1-CB 3.47Å; D867-N870 PolarHBondContact OD1-N 2.81Å; D867-N870 WeakPolarHBondContact OD2-CB 3.44Å; I868-N870 VanDerWaalsContact C-N 3.33Å; I868-N870 PolarHBondContact O-N 2.87Å; N870-I873 PolarHBondContact O-N 2.87Å; N870-Q874 WeakPolarHBondContact O-CB 3.19Å; N870-Q874 WeakPolarHBondContact O-CG 3.02Å; N870-Q874 PolarHBondContact O-N 2.99Å; N870-Q874 PolarHBondContact OD1-NE2 3.38Å
871	Q	88.9	Confident	81	Confident	37 Å²	37	53.2 Å²	53.2	17%	0.173	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-44.2	173.4	-73.4	179.9	72.3	0	0	112.3	D867 I868 G869 Q874 H875 L901 R902	D867-Q871 PolarHBondContact O-NE2 2.99Å; I868-Q871 WeakPolarHBondContact O-CB 3.37Å; I868-Q871 PolarHBondContact O-N 3.03Å; I868-Q871 VanDerWaalsContact O-N 3.11Å; G869-Q871 VanDerWaalsContact C-N 3.33Å; G869-Q871 PolarHBondContact O-N 2.71Å; Q871-Q874 PolarHBondContact O-N 3.07Å; Q871-H875 WeakPolarHBondContact O-CB 3.35Å; Q871-H875 PolarHBondContact O-N 3.19Å; Q871-L901 HydrophobicContact CB-CD2 3.84Å; Q871-R902 PolarHBondContact NE2-O 3.17Å
872	F	82.7	Confident	78.8	Confident	19 Å²	19	56.1 Å²	56.1	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-49	175.5	-94	-76.6	0	0	0	111.5	L692 I868 G869 Q874 H875 D876 P899 L901	L692-F872 HydrophobicContact CB-CE2 3.7Å; L692-F872 HydrophobicContact CB-CZ 3.95Å; L692-F872 HydrophobicContact CD1-CD2 4.47Å; L692-F872 HydrophobicContact CD1-CE2 4.37Å; L692-F872 VanDerWaalsContact O-CZ 3.24Å; L692-F872 WeakPolarHBondContact O-CZ 3.42Å; I868-F872 HydrophobicContact CD1-CE2 4.42Å; I868-F872 VanDerWaalsContact O-CD2 3.32Å; I868-F872 WeakPolarHBondContact O-CD2 3.39Å; I868-F872 PolarHBondContact O-N 2.96Å; G869-F872 WeakPolarHBondContact O-CB 3.42Å; G869-F872 PolarHBondContact O-N 2.86Å; F872-Q874 PolarHBondContact O-N 3.34Å; F872-H875 PolarHBondContact O-N 3.02Å; F872-D876 PolarHBondContact O-N 2.92Å; F872-P899 HydrophobicContact CD1-CG 4.2Å; F872-P899 HydrophobicContact CE1-CG 3.62Å; F872-P899 HydrophobicContact CZ-CG 4.07Å; F872-L901 HydrophobicContact CD2-CD1 4.25Å; F872-L901 HydrophobicContact CD2-CD2 4.02Å; F872-L901 HydrophobicContact CE1-CD1 4.49Å; F872-L901 HydrophobicContact CE2-CD1 3.35Å; F872-L901 HydrophobicContact CE2-CD2 3.95Å; F872-L901 HydrophobicContact CE2-CG 4.27Å; F872-L901 HydrophobicContact CG-CD2 4.5Å; F872-L901 HydrophobicContact CZ-CD1 3.49Å; F872-L901 VanDerWaalsContact CZ-CD1 3.49Å; F872-L901 HydrophobicContact CZ-CD2 4.37Å; F872-L901 HydrophobicContact CZ-CG 4.44Å
873	I	83.9	Confident	76.2	Confident	29 Å²	29	57 Å²	57	15%	0.149	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-47.2	178.9	-66.5	162.9	0	0	0	110.3	V781 G869 N870 H875 D876 F877	V781-I873 HydrophobicContact CG2-CD1 4.04Å; V781-I873 HydrophobicContact CG2-CG1 4.13Å; G869-I873 WeakPolarHBondContact O-CD1 3.48Å; G869-I873 VanDerWaalsContact O-CG1 3.23Å; G869-I873 WeakPolarHBondContact O-CG1 3.37Å; G869-I873 PolarHBondContact O-N 3.5Å; N870-I873 PolarHBondContact O-N 2.87Å; I873-H875 PolarHBondContact O-N 2.88Å; I873-D876 PolarHBondContact O-N 3.48Å; I873-F877 HydrophobicContact CG2-CD2 3.58Å; I873-F877 HydrophobicContact CG2-CE2 3.47Å; I873-F877 VanDerWaalsContact CG2-CE2 3.47Å; I873-F877 WeakPolarHBondContact O-CD2 3.28Å; I873-F877 PolarHBondContact O-N 2.95Å
874	Q	83.8	Confident	73.8	Confident	101 Å²	101	61.3 Å²	61.3	47%	0.472	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-39.6	178.8	-74.7	174.3	23.6	0	0	113	N870 Q871 F872 F877 M878	N870-Q874 WeakPolarHBondContact O-CB 3.19Å; N870-Q874 WeakPolarHBondContact O-CG 3.02Å; N870-Q874 PolarHBondContact O-N 2.99Å; N870-Q874 PolarHBondContact OD1-NE2 3.38Å; Q871-Q874 PolarHBondContact O-N 3.07Å; F872-Q874 PolarHBondContact O-N 3.34Å; Q874-F877 PolarHBondContact O-N 3.47Å; Q874-M878 WeakPolarHBondContact O-CG 3.41Å; Q874-M878 PolarHBondContact O-N 3.04Å
875	H	78	Confident	71.1	Confident	61 Å²	61	64.4 Å²	64.4	28%	0.282	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-48.8	176.6	179.7	-89	0	0	0	111.3	Q871 F872 I873 F877 M878 F879 P899	Q871-H875 WeakPolarHBondContact O-CB 3.35Å; Q871-H875 PolarHBondContact O-N 3.19Å; F872-H875 PolarHBondContact O-N 3.02Å; I873-H875 PolarHBondContact O-N 2.88Å; H875-F877 VanDerWaalsContact C-N 3.34Å; H875-F877 PolarHBondContact O-N 2.76Å; H875-M878 PolarHBondContact O-N 3.2Å; H875-M878 VanDerWaalsContact O-N 3.16Å; H875-F879 PolarHBondContact O-N 3.29Å; H875-P899 HydrophobicContact CB-CB 4.3Å
876	D	70.1	Confident	68	Low	40 Å²	40	70.3 Å²	70.3	21%	0.214	37%	0.366	C	S	.	.	H	α-helix	trans	-61.3	-41.5	177.9	-169.5	34	0	0	0	111.7	S784 F872 I873 M878 F879 L880	S784-D876 WeakPolarHBondContact CA-OD2 3.44Å; S784-D876 WeakPolarHBondContact CB-OD2 3.33Å; S784-D876 WeakPolarHBondContact OG-CB 3.39Å; S784-D876 PolarHBondContact OG-OD2 2.85Å; F872-D876 PolarHBondContact O-N 2.92Å; I873-D876 PolarHBondContact O-N 3.48Å; D876-M878 PolarHBondContact O-N 3.31Å; D876-F879 PolarHBondContact O-N 2.85Å; D876-L880 WeakPolarHBondContact O-CG 3.5Å; D876-L880 PolarHBondContact O-N 2.89Å
877	F	67.3	Low	65	Low	128 Å²	128	75.4 Å²	75.4	56%	0.561	40%	0.402	S	S	*	.	H	α-helix	trans	-62.1	-36.9	173.6	-88.2	-67.3	0	0	0	114	I873 Q874 H875 K881	I873-F877 HydrophobicContact CG2-CD2 3.58Å; I873-F877 HydrophobicContact CG2-CE2 3.47Å; I873-F877 VanDerWaalsContact CG2-CE2 3.47Å; I873-F877 WeakPolarHBondContact O-CD2 3.28Å; I873-F877 PolarHBondContact O-N 2.95Å; Q874-F877 PolarHBondContact O-N 3.47Å; H875-F877 VanDerWaalsContact C-N 3.34Å; H875-F877 PolarHBondContact O-N 2.76Å; F877-K881 PolarHBondContact O-N 2.94Å; F877-K881 VanDerWaalsContact O-N 3.16Å
878	M	59.2	Low	61.8	Low	138 Å²	138	82.3 Å²	82.3	68%	0.68	44%	0.438	S	S	*	.	H	α-helix	trans	-67.6	-39.5	174.6	-73.6	-154.7	-143.4	0	0	111.5	Q874 H875 D876 K881 S882	Q874-M878 WeakPolarHBondContact O-CG 3.41Å; Q874-M878 PolarHBondContact O-N 3.04Å; H875-M878 PolarHBondContact O-N 3.2Å; H875-M878 VanDerWaalsContact O-N 3.16Å; D876-M878 PolarHBondContact O-N 3.31Å; M878-K881 PolarHBondContact O-N 2.9Å; M878-S882 PolarHBondContact O-N 3.42Å; M878-S882 VanDerWaalsContact O-N 3.1Å
879	F	58.7	Low	58.8	Low	83 Å²	83	90.8 Å²	90.8	36%	0.364	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-47.1	178.1	-136.3	-89.7	0	0	0	111.1	H875 D876 K881 S882 E883 S897	H875-F879 PolarHBondContact O-N 3.29Å; D876-F879 PolarHBondContact O-N 2.85Å; F879-K881 VanDerWaalsContact C-N 3.3Å; F879-K881 PolarHBondContact O-N 3.06Å; F879-S882 PolarHBondContact O-N 3.06Å; F879-S882 VanDerWaalsContact O-N 3.08Å; F879-S882 PolarHBondContact O-OG 2.91Å; F879-E883 PolarHBondContact O-N 3.41Å; F879-S897 WeakPolarHBondContact CE2-OG 3.42Å
880	L	56	Low	55.7	Low	75 Å²	75	95.1 Å²	95.1	39%	0.393	51%	0.508	S	S	.	.	H	α-helix	trans	-61.5	-33.6	175.8	-71.1	166.3	0	0	0	113.2	D876	D876-L880 WeakPolarHBondContact O-CG 3.5Å; D876-L880 PolarHBondContact O-N 2.89Å
881	K	51	Low	52.7	Low	152 Å²	152	100.1 Å²	100.1	66%	0.661	54%	0.535	S	S	*	.	H	α-helix	trans	-68.6	-37.3	173.7	-83.7	-176.6	178.1	177.3	0	112.4	F877 M878 F879 E883 S884	F877-K881 PolarHBondContact O-N 2.94Å; F877-K881 VanDerWaalsContact O-N 3.16Å; M878-K881 PolarHBondContact O-N 2.9Å; F879-K881 VanDerWaalsContact C-N 3.3Å; F879-K881 PolarHBondContact O-N 3.06Å; K881-E883 VanDerWaalsContact C-N 3.31Å; K881-E883 PolarHBondContact O-N 2.75Å; K881-S884 PolarHBondContact O-N 2.78Å; K881-S884 PolarHBondContact O-OG 2.91Å
882	S	45.8	Very low	49.6	Very low	66 Å²	66	107.4 Å²	107.4	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-35.3	-179	75.4	0	0	0	0	112.5	M878 F879 S884 V885	M878-S882 PolarHBondContact O-N 3.42Å; M878-S882 VanDerWaalsContact O-N 3.1Å; F879-S882 PolarHBondContact O-N 3.06Å; F879-S882 VanDerWaalsContact O-N 3.08Å; F879-S882 PolarHBondContact O-OG 2.91Å; S882-S884 VanDerWaalsContact C-N 3.35Å; S882-S884 PolarHBondContact O-N 3.45Å; S882-V885 PolarHBondContact O-N 2.93Å
883	E	38.5	Very low	47.2	Very low	104 Å²	104	112.1 Å²	112.1	49%	0.486	59%	0.59	S	S	.	*	H	α-helix	trans	-65.9	-34.6	175.3	-74	-172.2	157.6	0	0	113.1	F879 K881 V885	F879-E883 PolarHBondContact O-N 3.41Å; K881-E883 VanDerWaalsContact C-N 3.31Å; K881-E883 PolarHBondContact O-N 2.75Å; E883-V885 PolarHBondContact O-N 2.83Å; E883-V885 VanDerWaalsContact O-N 3.14Å
884	S	40.1	Very low	44.8	Very low	96 Å²	96	117 Å²	117	67%	0.671	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-11.4	-178.7	69.8	0	0	0	0	114	K881 S882	K881-S884 PolarHBondContact O-N 2.78Å; K881-S884 PolarHBondContact O-OG 2.91Å; S882-S884 VanDerWaalsContact C-N 3.35Å; S882-S884 PolarHBondContact O-N 3.45Å
885	V	37.3	Very low	42.4	Very low	111 Å²	111	114.8 Å²	114.8	67%	0.673	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	54.1	-176.2	-163.9	0	0	0	0	111.2	S882 E883	S882-V885 PolarHBondContact O-N 2.93Å; E883-V885 PolarHBondContact O-N 2.83Å; E883-V885 VanDerWaalsContact O-N 3.14Å
886	T	28.7	Very low	40.7	Very low	123 Å²	123	118.7 Å²	118.7	76%	0.755	64%	0.644	S	S	*	*	S	Bend	trans	-162.3	143.6	151.1	26.5	0	0	0	0	113.6
887	S	30.2	Very low	39.7	Very low	109 Å²	109	120 Å²	120	76%	0.762	66%	0.655	S	S	*	*			trans	-54.2	149.8	175	44.2	0	0	0	0	114.8	E889	S887-E889 PolarHBondContact O-N 3.33Å
888	L	27.7	Very low	39.3	Very low	183 Å²	183	118.6 Å²	118.6	96%	0.958	65%	0.651	S	S	*	*	S	Bend	trans	-51.7	22.1	-171	-123.9	92.8	0	0	0	120
889	E	27.4	Very low	39.5	Very low	177 Å²	177	113.1 Å²	113.1	83%	0.827	63%	0.626	S	S	*	*			trans	-127.3	85.7	-177.3	-73.8	-174.2	165.5	0	0	111.8	S887	S887-E889 PolarHBondContact O-N 3.33Å
890	S	25	Very low	40.1	Very low	92 Å²	92	117.1 Å²	117.1	64%	0.643	65%	0.651	S	S	*	*			trans	173.2	118.5	138.3	36.7	0	0	0	0	110.8	K892	S890-K892 PolarHBondContact O-N 2.97Å
891	D	26.3	Very low	41.3	Very low	179 Å²	179	115.3 Å²	115.3	96%	0.957	64%	0.641	S	S	*	*			trans	-65.4	50.7	167.7	-71.3	-45.4	0	0	0	112.6
892	K	25	Very low	43	Very low	190 Å²	190	112.2 Å²	112.2	83%	0.826	63%	0.625	S	S	*	*			trans	-119.3	50.6	172.2	-75.7	-170.1	176.2	-178.9	0	110.6	S890	S890-K892 PolarHBondContact O-N 2.97Å
893	I	31.2	Very low	44.8	Very low	117 Å²	117	112.4 Å²	112.4	60%	0.6	62%	0.621	S	S	*	*			trans	-112.5	77.4	176.8	-51.7	177	0	0	0	109
894	L	34.5	Very low	47.1	Very low	132 Å²	132	115.7 Å²	115.7	69%	0.691	63%	0.633	S	S	*	*			trans	-176.2	50.6	141.5	-129.6	83.6	0	0	0	107.9	N896	L894-N896 PolarHBondContact O-N 3.25Å
895	G	33.8	Very low	49.3	Very low	55 Å²	55	112.6 Å²	112.6	57%	0.567	61%	0.611	S	S	*	*			trans	-70.7	102.7	171.1	0	0	0	0	0	108.2	S897	G895-S897 PolarHBondContact O-N 3.5Å
896	N	42.3	Very low	51.8	Low	143 Å²	143	110.8 Å²	110.8	77%	0.765	60%	0.597	S	S	*	*			trans	-55.2	66.8	169.1	-70.6	-18.5	0	0	0	112	L894 E898	L894-N896 PolarHBondContact O-N 3.25Å; N896-E898 VanDerWaalsContact C-N 3.33Å; N896-E898 PolarHBondContact O-N 2.77Å; N896-E898 VanDerWaalsContact O-N 3.1Å
897	S	48.4	Very low	54.2	Low	66 Å²	66	111 Å²	111	46%	0.462	59%	0.592	S	S	.	*			trans	-75.4	97.8	160.5	61.2	0	0	0	0	106.5	F879 G895	F879-S897 WeakPolarHBondContact CE2-OG 3.42Å; G895-S897 PolarHBondContact O-N 3.5Å
898	E	58.7	Low	56.7	Low	100 Å²	100	113.5 Å²	113.5	47%	0.467	60%	0.597	S	S	.	*			trans	-51.1	134.8	169.4	-65.2	179	165.3	0	0	108.4	T695 N896 N900	T695-E898 HydrophobicContact CG2-CB 4.29Å; T695-E898 HydrophobicContact CG2-CG 4.01Å; T695-E898 WeakPolarHBondContact OG1-CG 3.25Å; T695-E898 PolarHBondContact OG1-OE1 3.42Å; N896-E898 VanDerWaalsContact C-N 3.33Å; N896-E898 PolarHBondContact O-N 2.77Å; N896-E898 VanDerWaalsContact O-N 3.1Å; E898-N900 PolarHBondContact O-N 2.71Å; E898-N900 VanDerWaalsContact O-N 3.12Å
899	P	63.9	Low	59.4	Low	23 Å²	23	112.7 Å²	112.7	15%	0.149	59%	0.586	C	S	.	*			trans	-58.4	124.8	177.1	23.5	-30.9	0	0	0	108.3	F872 H875 L901	F872-P899 HydrophobicContact CD1-CG 4.2Å; F872-P899 HydrophobicContact CE1-CG 3.62Å; F872-P899 HydrophobicContact CZ-CG 4.07Å; H875-P899 HydrophobicContact CB-CB 4.3Å; P899-L901 HydrophobicContact CB-CD2 3.96Å; P899-L901 HydrophobicContact CB-CG 4.05Å; P899-L901 HydrophobicContact CG-CD1 4.32Å; P899-L901 HydrophobicContact CG-CD2 4.3Å; P899-L901 HydrophobicContact CG-CG 4.12Å; P899-L901 PolarHBondContact O-N 2.86Å
900	N	71.3	Confident	62.3	Low	167 Å²	167	105.5 Å²	105.5	89%	0.893	55%	0.553	S	S	*	*			trans	-72.4	79.5	172.6	-85.7	-38.8	0	0	0	108.9	E898	E898-N900 PolarHBondContact O-N 2.71Å; E898-N900 VanDerWaalsContact O-N 3.12Å
901	L	80.2	Confident	65.4	Low	36 Å²	36	103.4 Å²	103.4	19%	0.188	54%	0.537	C	S	.	.			trans	-76	131	-177.7	-61.2	170.9	0	0	0	110.7	T693 Q871 F872 P899 L903	T693-L901 HydrophobicContact CG2-CD1 4.37Å; Q871-L901 HydrophobicContact CB-CD2 3.84Å; F872-L901 HydrophobicContact CD2-CD1 4.25Å; F872-L901 HydrophobicContact CD2-CD2 4.02Å; F872-L901 HydrophobicContact CE1-CD1 4.49Å; F872-L901 HydrophobicContact CE2-CD1 3.35Å; F872-L901 HydrophobicContact CE2-CD2 3.95Å; F872-L901 HydrophobicContact CE2-CG 4.27Å; F872-L901 HydrophobicContact CG-CD2 4.5Å; F872-L901 HydrophobicContact CZ-CD1 3.49Å; F872-L901 VanDerWaalsContact CZ-CD1 3.49Å; F872-L901 HydrophobicContact CZ-CD2 4.37Å; F872-L901 HydrophobicContact CZ-CG 4.44Å; P899-L901 HydrophobicContact CB-CD2 3.96Å; P899-L901 HydrophobicContact CB-CG 4.05Å; P899-L901 HydrophobicContact CG-CD1 4.32Å; P899-L901 HydrophobicContact CG-CD2 4.3Å; P899-L901 HydrophobicContact CG-CG 4.12Å; P899-L901 PolarHBondContact O-N 2.86Å; L901-L903 HydrophobicContact CB-CD2 4.3Å; L901-L903 PolarHBondContact O-N 2.86Å
902	R	86.3	Confident	68.4	Low	87 Å²	87	98.5 Å²	98.5	33%	0.328	51%	0.514	S	S	.	.			trans	-83.8	114.6	168.4	179.9	177.6	59	81.6	-1.5	108.9	V866 Q871 K904 D910	V866-R902 WeakPolarHBondContact CG1-O 3.37Å; Q871-R902 PolarHBondContact NE2-O 3.17Å; R902-K904 WeakPolarHBondContact CG-O 3.39Å; R902-K904 PolarHBondContact NH1-O 2.7Å; R902-D910 IonicContact CZ-OD1 3.62Å; R902-D910 IonicContact CZ-OD2 3.66Å; R902-D910 IonicContact NH1-OD1 3.05Å; R902-D910 PolarHBondContact NH1-OD1 2.86Å; R902-D910 IonicContact NH1-OD2 3.62Å; R902-D910 PolarHBondContact NH1-OD2 2.85Å; R902-D910 IonicContact NH2-OD1 2.84Å; R902-D910 PolarHBondContact NH2-OD1 3.43Å; R902-D910 IonicContact NH2-OD2 2.94Å; R902-D910 PolarHBondContact NH2-OD2 2.92Å
903	L	83.6	Confident	71.6	Confident	71 Å²	71	89.4 Å²	89.4	37%	0.372	47%	0.474	S	S	.	.			trans	-98	-10.6	177	-56.2	179.7	0	0	0	113.5	T693 G826 I868 L901	T693-L903 HydrophobicContact CG2-CD1 4.2Å; T693-L903 HydrophobicContact CG2-CD2 3.66Å; G826-L903 WeakPolarHBondContact CA-O 3.4Å; I868-L903 HydrophobicContact CG2-CD2 4.08Å; L901-L903 HydrophobicContact CB-CD2 4.3Å; L901-L903 PolarHBondContact O-N 2.86Å
904	K	87.7	Confident	74.6	Confident	172 Å²	172	84 Å²	84	75%	0.748	45%	0.446	S	S	*	.	S	Bend	trans	-94.6	119.1	178	-167.3	174.9	-178.7	178.8	0	110.4	R902	R902-K904 WeakPolarHBondContact CG-O 3.39Å; R902-K904 PolarHBondContact NH1-O 2.7Å
905	P	87.1	Confident	77.5	Confident	32 Å²	32	77.7 Å²	77.7	21%	0.208	41%	0.414	C	S	.	.			trans	-70.1	146.9	178.4	28.8	-34.9	0	0	0	112	N864 V866 D910	N864-P905 WeakPolarHBondContact O-CG 3.46Å; N864-P905 WeakPolarHBondContact OD1-CB 3.15Å; V866-P905 HydrophobicContact CG2-CB 3.99Å; P905-D910 WeakPolarHBondContact CA-OD2 3.22Å; P905-D910 HydrophobicContact CB-CB 4.27Å
906	I	87.8	Confident	80.4	Confident	73 Å²	73	75 Å²	75	37%	0.374	39%	0.387	S	S	.	.			trans	-106.6	121.6	174.9	-57.9	170.5	0	0	0	107.1	D908 K909 D910	I906-D908 PolarHBondContact O-N 2.96Å; I906-K909 HydrophobicContact CB-CB 4.2Å; I906-K909 HydrophobicContact CG2-CB 4.15Å; I906-K909 HydrophobicContact CG2-CD 3.96Å; I906-K909 HydrophobicContact CG2-CG 4.07Å; I906-K909 PolarHBondContact O-N 3.12Å; I906-D910 PolarHBondContact N-OD2 2.72Å; I906-D910 PolarHBondContact O-N 2.78Å; I906-D910 VanDerWaalsContact O-N 3.12Å
907	I	81	Confident	82.9	Confident	126 Å²	126	68.2 Å²	68.2	65%	0.646	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	138.1	176.5	-57.9	172	0	0	0	109.4	K909	I907-K909 PolarHBondContact O-N 3.39Å; I907-K909 VanDerWaalsContact O-N 3.12Å
908	D	81.1	Confident	85.1	Confident	163 Å²	163	65.1 Å²	65.1	87%	0.872	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	-0.7	-179.1	-50.2	-38.5	0	0	0	116.8	I906	I906-D908 PolarHBondContact O-N 2.96Å
909	K	84.8	Confident	86.8	Confident	166 Å²	166	60.4 Å²	60.4	72%	0.722	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-39	174.6	-67.4	-167.6	-178.1	-177.6	0	113.2	I906 I907	I906-K909 HydrophobicContact CB-CB 4.2Å; I906-K909 HydrophobicContact CG2-CB 4.15Å; I906-K909 HydrophobicContact CG2-CD 3.96Å; I906-K909 HydrophobicContact CG2-CG 4.07Å; I906-K909 PolarHBondContact O-N 3.12Å; I907-K909 PolarHBondContact O-N 3.39Å; I907-K909 VanDerWaalsContact O-N 3.12Å
910	D	88.7	Confident	88.1	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.134	30%	0.302	C	S	.	.	S	Bend	trans	-91.3	153.2	-179.6	-71.9	-61.5	0	0	0	111.9	L865 R902 P905 I906	L865-D910 WeakPolarHBondContact O-CB 3.39Å; R902-D910 IonicContact CZ-OD1 3.62Å; R902-D910 IonicContact CZ-OD2 3.66Å; R902-D910 IonicContact NH1-OD1 3.05Å; R902-D910 PolarHBondContact NH1-OD1 2.86Å; R902-D910 IonicContact NH1-OD2 3.62Å; R902-D910 PolarHBondContact NH1-OD2 2.85Å; R902-D910 IonicContact NH2-OD1 2.84Å; R902-D910 PolarHBondContact NH2-OD1 3.43Å; R902-D910 IonicContact NH2-OD2 2.94Å; R902-D910 PolarHBondContact NH2-OD2 2.92Å; P905-D910 WeakPolarHBondContact CA-OD2 3.22Å; P905-D910 HydrophobicContact CB-CB 4.27Å; I906-D910 PolarHBondContact N-OD2 2.72Å; I906-D910 PolarHBondContact O-N 2.78Å; I906-D910 VanDerWaalsContact O-N 3.12Å
911	P	89.1	Confident	88.9	Confident	49 Å²	49	52.1 Å²	52.1	32%	0.318	26%	0.261	S	S	.	.			trans	-71.9	157.1	-179.4	29.1	-33.6	0	0	0	112.2	F824 N864 L865 P913	F824-P911 HydrophobicContact CD1-CG 4.2Å; F824-P911 HydrophobicContact CE1-CB 4.35Å; F824-P911 HydrophobicContact CE1-CG 3.51Å; F824-P911 HydrophobicContact CZ-CG 4.4Å; N864-P911 PolarHBondContact OD1-O 2.94Å; L865-P911 PolarHBondContact N-O 2.72Å; P911-P913 WeakPolarHBondContact O-CD 3.47Å
912	T	90.4	Very high	89	Confident	75 Å²	75	52.4 Å²	52.4	46%	0.46	26%	0.263	S	S	.	.			trans	-112.3	69.8	170.9	58.6	0	0	0	0	110.5	A863 N864	A863-T912 CarbonylContact O-C 3.59Å; A863-T912 VanDerWaalsContact O-CA 3.24Å; A863-T912 WeakPolarHBondContact O-CA 3.37Å; N864-T912 HydrophobicContact CB-CG2 4.05Å
913	P	92.4	Very high	88.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.			trans	-63.8	157.3	-177.2	28.1	-38.4	0	0	0	112.3	F824 K862 A863 L865 P911 I915	F824-P913 HydrophobicContact CD1-CG 3.91Å; F824-P913 HydrophobicContact CD2-CB 4.01Å; F824-P913 HydrophobicContact CD2-CG 3.88Å; F824-P913 HydrophobicContact CE1-CB 4.4Å; F824-P913 HydrophobicContact CE1-CG 4.06Å; F824-P913 HydrophobicContact CE2-CB 3.74Å; F824-P913 HydrophobicContact CE2-CG 4Å; F824-P913 HydrophobicContact CG-CB 4.45Å; F824-P913 HydrophobicContact CG-CG 3.82Å; F824-P913 HydrophobicContact CZ-CB 3.95Å; F824-P913 HydrophobicContact CZ-CG 4.09Å; K862-P913 VanDerWaalsContact CA-O 3.26Å; K862-P913 WeakPolarHBondContact CA-O 3.43Å; A863-P913 PolarHBondContact N-O 2.86Å; A863-P913 WeakPolarHBondContact O-CD 3.23Å; L865-P913 HydrophobicContact CB-CG 4.21Å; L865-P913 HydrophobicContact CD1-CG 4.12Å; P911-P913 WeakPolarHBondContact O-CD 3.47Å; P913-I915 HydrophobicContact CG-CG2 4.43Å
914	T	94.1	Very high	87	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.7	173.7	-55.4	0	0	0	0	109.3	S842 L843 L860 L861 K862 I986	S842-T914 CarbonylContact C-O 3.57Å; S842-T914 WeakPolarHBondContact CA-O 3.41Å; S842-T914 WeakPolarHBondContact CB-O 3.42Å; L843-T914 HydrophobicContact CB-CG2 4.16Å; L843-T914 HydrophobicContact CD1-CG2 4.25Å; L843-T914 PolarHBondContact N-O 3.07Å; L860-T914 HydrophobicContact CB-CG2 3.93Å; L860-T914 HydrophobicContact CD1-CG2 4.33Å; L860-T914 HydrophobicContact CD2-CG2 4.14Å; L860-T914 HydrophobicContact CG-CG2 4.35Å; L861-T914 CarbonylContact O-C 3.55Å; L861-T914 WeakPolarHBondContact O-CA 3.5Å; L861-T914 WeakPolarHBondContact O-CG2 3.35Å; K862-T914 WeakPolarHBondContact CE-OG1 3.31Å; K862-T914 VanDerWaalsContact CG-OG1 3.3Å; K862-T914 WeakPolarHBondContact CG-OG1 3.46Å; T914-I986 HydrophobicContact CG2-CG2 4.35Å; T914-I986 WeakPolarHBondContact OG1-CG2 3.36Å
915	I	94.6	Very high	85.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-20.7	-171.3	59	165.3	0	0	0	113.6	Y828 Y837 L861 A863 L865 P913 Y936 G937	Y828-I915 HydrophobicContact CD1-CD1 3.92Å; Y828-I915 HydrophobicContact CD2-CD1 3.94Å; Y828-I915 HydrophobicContact CE1-CD1 3.68Å; Y828-I915 HydrophobicContact CE2-CD1 3.68Å; Y828-I915 HydrophobicContact CG-CD1 4.05Å; Y837-I915 HydrophobicContact CD2-CD1 4.38Å; Y837-I915 HydrophobicContact CE1-CG2 4.32Å; Y837-I915 HydrophobicContact CE2-CB 3.95Å; Y837-I915 HydrophobicContact CE2-CD1 4.35Å; Y837-I915 HydrophobicContact CE2-CG2 4.03Å; L861-I915 HydrophobicContact CD2-CD1 4.17Å; L861-I915 HydrophobicContact CD2-CG1 4.26Å; L861-I915 HydrophobicContact CG-CG1 4.41Å; L861-I915 PolarHBondContact O-N 2.8Å; A863-I915 HydrophobicContact CB-CD1 3.53Å; A863-I915 HydrophobicContact CB-CG1 4.08Å; A863-I915 HydrophobicContact CB-CG2 4.4Å; L865-I915 HydrophobicContact CD1-CG2 3.69Å; P913-I915 HydrophobicContact CG-CG2 4.43Å; I915-Y936 HydrophobicContact CD1-CE2 4.24Å; I915-Y936 WeakPolarHBondContact O-CA 3.22Å; I915-Y936 VanDerWaalsContact O-CD2 3.26Å; I915-Y936 WeakPolarHBondContact O-CD2 3.45Å; I915-G937 PolarHBondContact O-N 3.19Å
916	L	95.2	Very high	84	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.6	178.3	179.5	67.8	0	0	0	109.8	L860 L861 L918 I935 Y936 L954 L958 L973 M977	L860-L916 WeakPolarHBondContact CA-O 3.36Å; L861-L916 HydrophobicContact CB-CB 3.84Å; L861-L916 HydrophobicContact CD2-CB 4.33Å; L861-L916 HydrophobicContact CD2-CD2 4.44Å; L861-L916 PolarHBondContact N-O 3.27Å; L916-L918 HydrophobicContact CD1-CD2 4.13Å; L916-L918 HydrophobicContact CG-CD2 4.28Å; L916-L918 HydrophobicContact CG-CG 4.47Å; L916-I935 CarbonylContact C-O 3.56Å; L916-I935 WeakPolarHBondContact CA-O 3.18Å; L916-Y936 HydrophobicContact CB-CD2 4.01Å; L916-Y936 HydrophobicContact CD1-CD2 4.04Å; L916-Y936 HydrophobicContact CD1-CG 4.39Å; L916-L954 HydrophobicContact CD2-CD1 4.27Å; L916-L958 HydrophobicContact CD1-CD1 4.3Å; L916-L958 HydrophobicContact CD1-CD2 4.09Å; L916-L958 HydrophobicContact CD2-CD2 4.32Å; L916-L973 HydrophobicContact CD2-CD2 4.49Å; L916-M977 HydrophobicContact CD2-CE 4.16Å; L916-M977 HydrophobicContact CG-CE 4.37Å
917	G	94.7	Very high	82.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.9	171.6	0	0	0	0	0	111.5	F846 S934 I935	F846-G917 WeakPolarHBondContact CZ-O 3.27Å; G917-S934 WeakPolarHBondContact O-CA 3.41Å; G917-I935 PolarHBondContact N-O 3.5Å; G917-I935 PolarHBondContact O-N 3.28Å
918	L	94.6	Very high	81.9	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.9	175.3	-56.5	-176.9	0	0	0	110.1	T858 V859 L916 L933 S934 L958 F961 I969 L973 M977	T858-L918 WeakPolarHBondContact CA-O 3.19Å; V859-L918 PolarHBondContact N-O 3.22Å; V859-L918 PolarHBondContact O-N 3.32Å; L916-L918 HydrophobicContact CD1-CD2 4.13Å; L916-L918 HydrophobicContact CG-CD2 4.28Å; L916-L918 HydrophobicContact CG-CG 4.47Å; L918-L933 WeakPolarHBondContact CA-O 3.2Å; L918-S934 WeakPolarHBondContact CD2-OG 3.42Å; L918-L958 HydrophobicContact CD2-CD2 3.6Å; L918-F961 HydrophobicContact CB-CE1 3.96Å; L918-F961 HydrophobicContact CB-CZ 3.89Å; L918-F961 HydrophobicContact CD2-CD1 4.14Å; L918-F961 HydrophobicContact CD2-CE1 4.13Å; L918-F961 HydrophobicContact CG-CE1 4.44Å; L918-I969 HydrophobicContact CD1-CG1 4.47Å; L918-I969 HydrophobicContact CD1-CG2 4.16Å; L918-L973 HydrophobicContact CD1-CD1 4.18Å; L918-M977 HydrophobicContact CB-CE 4.17Å; L918-M977 HydrophobicContact CD1-CE 3.54Å; L918-M977 HydrophobicContact CD1-SD 3.76Å; L918-M977 HydrophobicContact CG-CE 3.53Å; L918-M977 HydrophobicContact CG-SD 4.43Å
919	W	93.7	Very high	81.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.3	173.4	-169.9	95.7	0	0	0	111.1	F846 P847 I851 H854 T858 P921 M930 L933 F961	F846-W919 HydrophobicContact CE1-CB 3.82Å; F846-W919 HydrophobicContact CZ-CB 4.13Å; P847-W919 HydrophobicContact CG-CG 4.24Å; I851-W919 HydrophobicContact CB-CH2 4.27Å; I851-W919 HydrophobicContact CB-CZ2 3.98Å; I851-W919 HydrophobicContact CD1-CD2 3.44Å; I851-W919 VanDerWaalsContact CD1-CD2 3.44Å; I851-W919 VanDerWaalsContact CD1-CE2 3.45Å; I851-W919 HydrophobicContact CD1-CE3 3.8Å; I851-W919 HydrophobicContact CD1-CG 3.83Å; I851-W919 HydrophobicContact CD1-CH2 4.17Å; I851-W919 HydrophobicContact CD1-CZ2 3.83Å; I851-W919 HydrophobicContact CD1-CZ3 4.16Å; I851-W919 HydrophobicContact CG1-CD2 4.2Å; I851-W919 HydrophobicContact CG1-CH2 4.35Å; I851-W919 HydrophobicContact CG1-CZ2 3.74Å; H854-W919 HydrophobicContact CB-CH2 4.04Å; T858-W919 VanDerWaalsContact OG1-CD1 3.22Å; W919-P921 HydrophobicContact CH2-CB 3.98Å; W919-P921 HydrophobicContact CZ3-CB 4.13Å; W919-P921 HydrophobicContact CZ3-CG 4.35Å; W919-M930 HydrophobicContact CE3-CE 3.99Å; W919-M930 HydrophobicContact CH2-CE 3.72Å; W919-M930 HydrophobicContact CH2-CG 4.35Å; W919-M930 HydrophobicContact CH2-SD 3.34Å; W919-M930 WeakPolarHBondContact CH2-SD 3.5Å; W919-M930 HydrophobicContact CZ2-SD 4.49Å; W919-M930 HydrophobicContact CZ3-CE 3.33Å; W919-M930 HydrophobicContact CZ3-CG 3.9Å; W919-M930 HydrophobicContact CZ3-SD 3.35Å; W919-M930 WeakPolarHBondContact CZ3-SD 3.48Å; W919-L933 HydrophobicContact CB-CB 4.1Å; W919-L933 HydrophobicContact CB-CD1 4.35Å; W919-L933 HydrophobicContact CB-CG 4.48Å; W919-L933 PolarHBondContact N-O 3.3Å; W919-L933 PolarHBondContact O-N 2.9Å; W919-F961 WeakPolarHBondContact O-CZ 3.33Å
920	T	91.1	Very high	82	Confident	11 Å²	11	47.2 Å²	47.2	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.1	174.9	-180	0	0	0	0	111.1	G856 R857 F961 G967	G856-T920 CarbonylContact C-O 3.53Å; G856-T920 WeakPolarHBondContact CA-O 3.45Å; R857-T920 HydrophobicContact CB-CG2 4.34Å; R857-T920 PolarHBondContact N-O 3.1Å; R857-T920 PolarHBondContact O-N 3.08Å; T920-F961 HydrophobicContact CG2-CE2 4.19Å; T920-F961 HydrophobicContact CG2-CZ 4.38Å; T920-G967 WeakPolarHBondContact OG1-CA 3.43Å
921	P	89.6	Confident	82.1	Confident	5 Å²	5	46 Å²	46	3%	0.032	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	151.4	172.9	29.3	-34.7	0	0	0	111.7	T855 W919 S928 M930	T855-P921 CarbonylContact O-C 3.51Å; T855-P921 WeakPolarHBondContact O-CA 3.34Å; W919-P921 HydrophobicContact CH2-CB 3.98Å; W919-P921 HydrophobicContact CZ3-CB 4.13Å; W919-P921 HydrophobicContact CZ3-CG 4.35Å; P921-S928 VanDerWaalsContact CB-OG 3.26Å; P921-S928 WeakPolarHBondContact CB-OG 3.34Å; P921-S928 WeakPolarHBondContact CG-OG 3.44Å; P921-M930 HydrophobicContact CG-CB 4.42Å
922	I	82.1	Confident	82.4	Confident	43 Å²	43	44.7 Å²	44.7	22%	0.221	24%	0.237	C	C	.	.			trans	-83.2	126.4	173	-66.5	169.7	0	0	0	108.8	T855 R857 E924	T855-I922 PolarHBondContact O-N 3.31Å; R857-I922 HydrophobicContact CG-CD1 3.87Å; R857-I922 HydrophobicContact CG-CG1 3.7Å; I922-E924 HydrophobicContact CG2-CB 4.22Å; I922-E924 HydrophobicContact CG2-CG 3.68Å
923	V	67.1	Low	82.7	Confident	52 Å²	52	41.1 Å²	41.1	32%	0.315	22%	0.215	S	C	.	.			trans	-103.5	79.3	-179.9	-173.7	0	0	0	0	108	V926	V923-V926 WeakPolarHBondContact CG1-O 3.27Å
924	E	59.9	Low	82.9	Confident	149 Å²	149	41.1 Å²	41.1	70%	0.696	22%	0.215	S	C	*	.	S	Bend	trans	-87.6	-10.8	-176.2	-98.8	175.5	-154.9	0	0	114.6	I922	I922-E924 HydrophobicContact CG2-CB 4.22Å; I922-E924 HydrophobicContact CG2-CG 3.68Å
925	N	54.4	Low	83.1	Confident	170 Å²	170	41 Å²	41	91%	0.909	21%	0.214	S	C	*	.	S	Bend	trans	-177.1	-12.9	166	-91.9	-33.6	0	0	0	113
926	V	57.4	Low	83.2	Confident	117 Å²	117	41 Å²	41	71%	0.709	21%	0.214	S	C	*	.	S	Bend	trans	-115.3	132.1	174.9	-177	0	0	0	0	107.9	V923 S928	V923-V926 WeakPolarHBondContact CG1-O 3.27Å; V926-S928 PolarHBondContact O-N 2.99Å
927	I	58	Low	83.2	Confident	131 Å²	131	41 Å²	41	67%	0.672	21%	0.214	S	C	*	.			trans	-59.2	106.1	169.7	-59.3	171.9	0	0	0	106.2	E929	I927-E929 PolarHBondContact O-N 3.06Å
928	S	66.5	Low	83.2	Confident	16 Å²	16	41 Å²	41	11%	0.112	21%	0.214	C	C	.	.			trans	-63.4	122	171.5	177	0	0	0	0	107.8	P921 V926 M930	P921-S928 VanDerWaalsContact CB-OG 3.26Å; P921-S928 WeakPolarHBondContact CB-OG 3.34Å; P921-S928 WeakPolarHBondContact CG-OG 3.44Å; V926-S928 PolarHBondContact O-N 2.99Å; S928-M930 PolarHBondContact O-N 3.46Å; S928-M930 PolarHBondContact OG-N 2.94Å
929	E	77.9	Confident	83.2	Confident	146 Å²	146	41 Å²	41	68%	0.682	21%	0.214	S	C	*	.			trans	-72	-14.2	177.3	-65	-172.6	164.2	0	0	111.7	G767 I927	G767-E929 WeakPolarHBondContact CA-O 3.5Å; G767-E929 PolarHBondContact N-O 2.83Å; I927-E929 PolarHBondContact O-N 3.06Å
930	M	89.9	Confident	83	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-62.4	138.3	-179.7	176.5	166.6	-176.5	0	0	112.4	V763 T764 F815 I851 H854 W919 P921 S928 R932	V763-M930 HydrophobicContact CG1-CE 4.05Å; V763-M930 CarbonylContact O-C 3.53Å; V763-M930 WeakPolarHBondContact O-CA 3.4Å; T764-M930 HydrophobicContact CG2-CE 3.77Å; T764-M930 HydrophobicContact CG2-SD 3.91Å; T764-M930 WeakPolarHBondContact O-CA 3.09Å; F815-M930 HydrophobicContact CD1-CE 4.46Å; I851-M930 HydrophobicContact CB-CE 3.96Å; I851-M930 HydrophobicContact CB-SD 4.48Å; I851-M930 HydrophobicContact CD1-CE 3.86Å; I851-M930 HydrophobicContact CG2-CE 3.84Å; H854-M930 HydrophobicContact CB-SD 3.73Å; H854-M930 VanDerWaalsContact CD2-SD 3.53Å; W919-M930 HydrophobicContact CE3-CE 3.99Å; W919-M930 HydrophobicContact CH2-CE 3.72Å; W919-M930 HydrophobicContact CH2-CG 4.35Å; W919-M930 HydrophobicContact CH2-SD 3.34Å; W919-M930 WeakPolarHBondContact CH2-SD 3.5Å; W919-M930 HydrophobicContact CZ2-SD 4.49Å; W919-M930 HydrophobicContact CZ3-CE 3.33Å; W919-M930 HydrophobicContact CZ3-CG 3.9Å; W919-M930 HydrophobicContact CZ3-SD 3.35Å; W919-M930 WeakPolarHBondContact CZ3-SD 3.48Å; P921-M930 HydrophobicContact CG-CB 4.42Å; S928-M930 PolarHBondContact O-N 3.46Å; S928-M930 PolarHBondContact OG-N 2.94Å; M930-R932 PolarHBondContact O-NH1 3.44Å
931	G	92.4	Very high	82.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-68.2	165.7	174.8	0	0	0	0	0	113	V763 L768	V763-G931 PolarHBondContact O-N 3.1Å; L768-G931 WeakPolarHBondContact O-CA 3.47Å
932	R	93.9	Very high	83.1	Confident	20 Å²	20	40.3 Å²	40.3	8%	0.075	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-97.6	151.5	177.1	-65.2	86.5	-178.8	123	0.3	109.9	S769 L770 M930 F961 S964 S965	S769-R932 CarbonylContact C-O 3.48Å; S769-R932 VanDerWaalsContact CA-O 3.29Å; S769-R932 WeakPolarHBondContact CA-O 3.28Å; S769-R932 WeakPolarHBondContact CB-O 3.35Å; S769-R932 PolarHBondContact OG-N 3.01Å; L770-R932 PolarHBondContact N-O 3.19Å; M930-R932 PolarHBondContact O-NH1 3.44Å; R932-F961 HydrophobicContact CB-CD1 4.18Å; R932-F961 HydrophobicContact CB-CE1 3.66Å; R932-F961 HydrophobicContact CB-CZ 4.06Å; R932-F961 HydrophobicContact CG-CE1 4.26Å; R932-F961 HydrophobicContact CG-CZ 4.2Å; R932-S964 PolarHBondContact NE-O 2.78Å; R932-S964 VanDerWaalsContact NE-O 3.11Å; R932-S964 PolarHBondContact NH2-O 3.45Å; R932-S965 PolarHBondContact NH2-O 2.98Å
933	L	96.4	Very high	83.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.7	-179.9	-54	176.4	0	0	0	109.5	V763 L770 F815 I817 I851 L918 W919	V763-L933 HydrophobicContact CG1-CD2 3.84Å; L770-L933 HydrophobicContact CB-CD2 3.81Å; L770-L933 HydrophobicContact CD2-CD2 4.22Å; L770-L933 WeakPolarHBondContact O-CA 3.35Å; F815-L933 HydrophobicContact CB-CD1 3.94Å; F815-L933 HydrophobicContact CD1-CD1 3.74Å; F815-L933 HydrophobicContact CD1-CD2 4.31Å; F815-L933 HydrophobicContact CE1-CD1 4.48Å; F815-L933 HydrophobicContact CE1-CD2 4.3Å; F815-L933 HydrophobicContact CG-CD1 3.97Å; I817-L933 HydrophobicContact CD1-CD1 3.79Å; I851-L933 HydrophobicContact CD1-CD1 3.55Å; L918-L933 WeakPolarHBondContact CA-O 3.2Å; W919-L933 HydrophobicContact CB-CB 4.1Å; W919-L933 HydrophobicContact CB-CD1 4.35Å; W919-L933 HydrophobicContact CB-CG 4.48Å; W919-L933 PolarHBondContact N-O 3.3Å; W919-L933 PolarHBondContact O-N 2.9Å
934	S	97.2	Very high	84.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.9	170.9	-50.9	0	0	0	0	109.3	L770 I771 V772 G917 L918 F961	L770-S934 PolarHBondContact O-N 3.13Å; I771-S934 CarbonylContact C-O 3.45Å; I771-S934 VanDerWaalsContact CA-O 3.32Å; I771-S934 WeakPolarHBondContact CA-O 3.3Å; V772-S934 PolarHBondContact N-O 3.48Å; G917-S934 WeakPolarHBondContact O-CA 3.41Å; L918-S934 WeakPolarHBondContact CD2-OG 3.42Å; S934-F961 WeakPolarHBondContact OG-CD1 3.3Å
935	I	97.8	Very high	85.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.9	-174.2	-49.5	-62.6	0	0	0	108.8	V772 L812 I817 F819 L843 F846 L916 G917	V772-I935 HydrophobicContact CB-CD1 3.67Å; V772-I935 HydrophobicContact CB-CG2 4.43Å; V772-I935 HydrophobicContact CG2-CD1 3.55Å; L812-I935 HydrophobicContact CD1-CD1 4.19Å; L812-I935 HydrophobicContact CD1-CG2 4.26Å; L812-I935 HydrophobicContact CD2-CD1 4Å; I817-I935 HydrophobicContact CD1-CG1 3.97Å; I817-I935 HydrophobicContact CG2-CG1 4.29Å; I817-I935 HydrophobicContact CG2-CG2 4.39Å; F819-I935 HydrophobicContact CE1-CG2 4.06Å; F819-I935 HydrophobicContact CE2-CG2 3.65Å; F819-I935 HydrophobicContact CZ-CG2 3.21Å; L843-I935 HydrophobicContact CD2-CB 4.47Å; L843-I935 HydrophobicContact CD2-CG2 3.85Å; F846-I935 HydrophobicContact CE2-CB 4.13Å; F846-I935 HydrophobicContact CE2-CG1 3.89Å; L916-I935 CarbonylContact C-O 3.56Å; L916-I935 WeakPolarHBondContact CA-O 3.18Å; G917-I935 PolarHBondContact N-O 3.5Å; G917-I935 PolarHBondContact O-N 3.28Å
936	Y	97.5	Very high	85.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.6	-178	-174.6	-112.3	0	0	0	109.8	V772 F773 A774 Y828 Y837 I915 L916 D938 L954	V772-Y936 PolarHBondContact O-N 3.42Å; F773-Y936 WeakPolarHBondContact CA-O 3.06Å; F773-Y936 AromaticContact CD1-CD1 3.44Å; F773-Y936 HydrophobicContact CD1-CD1 3.44Å; F773-Y936 VanDerWaalsContact CD1-CD1 3.44Å; F773-Y936 HydrophobicContact CD1-CE1 4.14Å; F773-Y936 HydrophobicContact CD1-CG 4.35Å; F773-Y936 AromaticContact CE1-CD1 3.42Å; F773-Y936 HydrophobicContact CE1-CD1 3.42Å; F773-Y936 VanDerWaalsContact CE1-CD1 3.42Å; F773-Y936 AromaticContact CE1-CE1 3.99Å; F773-Y936 HydrophobicContact CE1-CE1 3.99Å; F773-Y936 HydrophobicContact CE1-CG 4.2Å; F773-Y936 HydrophobicContact CG-CD1 4.28Å; F773-Y936 HydrophobicContact CZ-CD1 4.3Å; A774-Y936 PolarHBondContact N-O 3.48Å; Y828-Y936 VanDerWaalsContact OH-CE2 3.29Å; Y828-Y936 WeakPolarHBondContact OH-CE2 3.29Å; Y828-Y936 VanDerWaalsContact OH-CZ 3.31Å; Y828-Y936 PolarHBondContact OH-OH 2.78Å; Y837-Y936 HydrophobicContact CD2-CE2 4.41Å; Y837-Y936 AromaticContact CD2-CZ 3.93Å; Y837-Y936 VanDerWaalsContact CD2-OH 3.26Å; Y837-Y936 WeakPolarHBondContact CD2-OH 3.32Å; Y837-Y936 HydrophobicContact CE2-CE1 4.31Å; Y837-Y936 AromaticContact CE2-CE2 3.94Å; Y837-Y936 HydrophobicContact CE2-CE2 3.94Å; Y837-Y936 AromaticContact CE2-CZ 3.68Å; I915-Y936 HydrophobicContact CD1-CE2 4.24Å; I915-Y936 WeakPolarHBondContact O-CA 3.22Å; I915-Y936 VanDerWaalsContact O-CD2 3.26Å; I915-Y936 WeakPolarHBondContact O-CD2 3.45Å; L916-Y936 HydrophobicContact CB-CD2 4.01Å; L916-Y936 HydrophobicContact CD1-CD2 4.04Å; L916-Y936 HydrophobicContact CD1-CG 4.39Å; Y936-D938 HydrophobicContact CD1-CB 4.31Å; Y936-D938 WeakPolarHBondContact CD1-O 3.13Å; Y936-D938 HydrophobicContact CE1-CB 3.67Å; Y936-D938 WeakPolarHBondContact CE1-O 3.39Å; Y936-D938 PolarHBondContact OH-OD2 3.12Å; Y936-L954 HydrophobicContact CD2-CD2 4.24Å; Y936-L954 HydrophobicContact CE1-CD2 4.28Å; Y936-L954 HydrophobicContact CE2-CD2 3.92Å
937	G	95.7	Very high	85.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-91.8	6.7	-168.5	0	0	0	0	0	117.1	A774 Y837 G840 S841 I915	A774-G937 CarbonylContact O-C 3.5Å; A774-G937 VanDerWaalsContact O-C 3.25Å; Y837-G937 WeakPolarHBondContact OH-CA 3.44Å; Y837-G937 PolarHBondContact OH-O 3.24Å; G840-G937 CarbonylContact C-O 3.58Å; G840-G937 WeakPolarHBondContact CA-O 3.43Å; S841-G937 PolarHBondContact N-O 2.99Å; S841-G937 PolarHBondContact OG-O 2.02Å; I915-G937 PolarHBondContact O-N 3.19Å
938	D	94.7	Very high	85.8	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.			trans	-141.1	128.9	-172.3	165.8	83.3	0	0	0	110.1	F773 A774 Y837 H838 Y936	F773-D938 VanDerWaalsContact CD1-O 3.24Å; F773-D938 WeakPolarHBondContact CD1-O 3.38Å; A774-D938 CarbonylContact O-C 2.77Å; A774-D938 WeakPolarHBondContact O-CA 3.43Å; A774-D938 PolarHBondContact O-N 3.38Å; A774-D938 VanDerWaalsContact O-N 3.08Å; Y837-D938 HydrophobicContact CD2-CB 3.64Å; Y837-D938 HydrophobicContact CE1-CB 4.18Å; Y837-D938 HydrophobicContact CE2-CB 3.21Å; Y837-D938 HydrophobicContact CG-CB 4.26Å; Y837-D938 VanDerWaalsContact CZ-CB 3.49Å; H838-D938 PolarHBondContact N-OD1 2.84Å; H838-D938 VanDerWaalsContact O-OD1 3.13Å; Y936-D938 HydrophobicContact CD1-CB 4.31Å; Y936-D938 WeakPolarHBondContact CD1-O 3.13Å; Y936-D938 HydrophobicContact CE1-CB 3.67Å; Y936-D938 WeakPolarHBondContact CE1-O 3.39Å; Y936-D938 PolarHBondContact OH-OD2 3.12Å
939	S	93.1	Very high	85.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.			trans	-102.5	-31.6	-174.6	160.6	0	0	0	0	111.5	I745 D746 A774 D775 C941 L942	I745-S939 WeakPolarHBondContact CG2-OG 3.15Å; D746-S939 VanDerWaalsContact CG-OG 3.31Å; D746-S939 WeakPolarHBondContact OD2-CB 3.35Å; D746-S939 PolarHBondContact OD2-OG 3.49Å; A774-S939 WeakPolarHBondContact O-CB 3.27Å; A774-S939 PolarHBondContact O-N 3Å; D775-S939 WeakPolarHBondContact OD2-CB 3.02Å; D775-S939 PolarHBondContact OD2-N 3.38Å; D775-S939 VanDerWaalsContact OD2-N 3.1Å; S939-C941 VanDerWaalsContact C-N 3.26Å; S939-C941 PolarHBondContact O-N 3.41Å; S939-L942 WeakPolarHBondContact O-CB 3.43Å; S939-L942 PolarHBondContact O-N 3.01Å
940	D	90.3	Very high	86.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-42.5	-43.2	-176.3	-100.3	-32.8	0	0	0	115.4	D690 D691 H838 L942 S943 H946	D690-D940 VanDerWaalsContact CB-OD1 3.29Å; D690-D940 WeakPolarHBondContact CB-OD1 3.37Å; D691-D940 VanDerWaalsContact CA-OD2 3.28Å; D691-D940 WeakPolarHBondContact CA-OD2 3.22Å; D691-D940 VanDerWaalsContact CB-OD2 3.28Å; D691-D940 WeakPolarHBondContact CB-OD2 3.28Å; D691-D940 PolarHBondContact N-OD2 3.32Å; H838-D940 HydrophobicContact CB-CB 3.84Å; H838-D940 WeakPolarHBondContact CB-OD2 3.11Å; D940-L942 PolarHBondContact O-N 3.44Å; D940-L942 VanDerWaalsContact O-N 3.08Å; D940-S943 WeakPolarHBondContact O-CB 3.34Å; D940-S943 PolarHBondContact O-N 2.88Å; D940-H946 WeakPolarHBondContact O-CB 3.43Å; D940-H946 IonicContact OD1-CD2 2.82Å; D940-H946 PolarHBondContact OD1-CD2 2.96Å; D940-H946 IonicContact OD1-CE1 3.35Å; D940-H946 IonicContact OD1-CG 2.77Å; D940-H946 IonicContact OD1-NE2 3.44Å; D940-H946 PolarHBondContact OD1-NE2 2.91Å
941	C	89.8	Confident	86.2	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.014	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-68.8	-8.7	-177.1	70.3	0	0	0	0	114.6	S939 N950 C951	S939-C941 VanDerWaalsContact C-N 3.26Å; S939-C941 PolarHBondContact O-N 3.41Å; C941-N950 WeakPolarHBondContact O-CA 3.07Å; C941-C951 HydrophobicContact CB-CB 3.57Å; C941-C951 WeakPolarHBondContact CB-SG 3.42Å; C941-C951 PolarHBondContact O-N 3.3Å; C941-C951 PolarHBondContact O-SG 3.02Å; C941-C951 VanDerWaalsContact O-SG 3.37Å; C941-C951 WeakPolarHBondContact SG-CB 3.25Å; C941-C951 CovalentContact SG-SG 2.02Å; C941-C951 PolarHBondContact SG-SG 2.76Å
942	L	92.4	Very high	86.2	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-95.5	-17.3	170.6	-60.7	-176.3	0	0	0	113.1	F710 L713 I745 F773 S939 D940 C951 F952 L955	F710-L942 HydrophobicContact CD1-CB 4.29Å; F710-L942 HydrophobicContact CE1-CB 4.26Å; L713-L942 HydrophobicContact CD1-CD2 4.43Å; L713-L942 HydrophobicContact CD2-CB 4.33Å; L713-L942 HydrophobicContact CD2-CD1 4.26Å; I745-L942 HydrophobicContact CD1-CD1 3.63Å; I745-L942 HydrophobicContact CG1-CD1 4.21Å; I745-L942 HydrophobicContact CG2-CD1 4.33Å; F773-L942 HydrophobicContact CB-CD1 4.34Å; F773-L942 HydrophobicContact CD1-CD1 3.35Å; F773-L942 HydrophobicContact CD1-CG 3.88Å; F773-L942 HydrophobicContact CD2-CD1 3.94Å; F773-L942 HydrophobicContact CE1-CD1 3.55Å; F773-L942 HydrophobicContact CE1-CD2 4.19Å; F773-L942 HydrophobicContact CE1-CG 3.86Å; F773-L942 HydrophobicContact CE2-CD1 4.08Å; F773-L942 HydrophobicContact CG-CD1 3.61Å; F773-L942 HydrophobicContact CZ-CD1 3.92Å; S939-L942 WeakPolarHBondContact O-CB 3.43Å; S939-L942 PolarHBondContact O-N 3.01Å; D940-L942 PolarHBondContact O-N 3.44Å; D940-L942 VanDerWaalsContact O-N 3.08Å; L942-C951 VanDerWaalsContact CD2-SG 3.51Å; L942-F952 HydrophobicContact CD2-CD1 3.99Å; L942-F952 HydrophobicContact CD2-CE1 4.39Å; L942-L955 HydrophobicContact CD2-CB 4.27Å; L942-L955 HydrophobicContact CD2-CD2 4.33Å
943	S	89.1	Confident	86.1	Confident	3 Å²	3	22.9 Å²	22.9	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	-75.4	142.8	-176.8	-169.2	0	0	0	0	112.2	D940 T945 H946	D940-S943 WeakPolarHBondContact O-CB 3.34Å; D940-S943 PolarHBondContact O-N 2.88Å; S943-T945 PolarHBondContact O-N 3.45Å; S943-T945 PolarHBondContact OG-OG1 3.03Å; S943-H946 PolarHBondContact O-N 3.39Å
944	S	85.4	Confident	85.9	Confident	6 Å²	6	23 Å²	23	4%	0.042	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-73.3	-14	178.1	-45.7	0	0	0	0	111.3	N709 L711 D712 H946	N709-S944 WeakPolarHBondContact O-CA 3.48Å; N709-S944 WeakPolarHBondContact O-CB 3.4Å; N709-S944 PolarHBondContact O-N 3.44Å; N709-S944 PolarHBondContact O-OG 2.91Å; L711-S944 PolarHBondContact N-OG 3.42Å; D712-S944 PolarHBondContact N-OG 3.35Å; D712-S944 VanDerWaalsContact N-OG 3.11Å; D712-S944 VanDerWaalsContact OD2-CB 3.29Å; D712-S944 WeakPolarHBondContact OD2-CB 3.44Å; D712-S944 PolarHBondContact OD2-OG 2.86Å; S944-H946 VanDerWaalsContact C-N 3.32Å
945	T	76.7	Confident	85.8	Confident	35 Å²	35	23 Å²	23	22%	0.215	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-74.6	-21.6	173	53.6	0	0	0	0	112.2	L348 L702 S943	L348-T945 HydrophobicContact CD1-CG2 3.7Å; L702-T945 HydrophobicContact CD1-CG2 3.6Å; S943-T945 PolarHBondContact O-N 3.45Å; S943-T945 PolarHBondContact OG-OG1 3.03Å
946	H	67.7	Low	85.7	Confident	18 Å²	18	23.8 Å²	23.8	8%	0.083	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-115.4	34.7	-171.9	-67.9	-80.8	0	0	0	114.6	D691 D940 S943 S944 N948	D691-H946 WeakPolarHBondContact CB-CE1 3.35Å; D691-H946 IonicContact OD2-CE1 2.67Å; D691-H946 PolarHBondContact OD2-CE1 2.83Å; D691-H946 IonicContact OD2-ND1 3.66Å; D940-H946 WeakPolarHBondContact O-CB 3.43Å; D940-H946 IonicContact OD1-CD2 2.82Å; D940-H946 PolarHBondContact OD1-CD2 2.96Å; D940-H946 IonicContact OD1-CE1 3.35Å; D940-H946 IonicContact OD1-CG 2.77Å; D940-H946 IonicContact OD1-NE2 3.44Å; D940-H946 PolarHBondContact OD1-NE2 2.91Å; S943-H946 PolarHBondContact O-N 3.39Å; S944-H946 VanDerWaalsContact C-N 3.32Å; H946-N948 PolarHBondContact O-N 2.88Å
947	L	57.1	Low	85.4	Confident	83 Å²	83	24 Å²	24	44%	0.435	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-63	-8.5	-172.3	-79.7	173.8	0	0	0	117.9	D712 S949	D712-L947 HydrophobicContact CB-CD2 4.17Å; D712-L947 WeakPolarHBondContact OD2-CD1 3.47Å; D712-L947 WeakPolarHBondContact OD2-CD2 3.43Å; L947-S949 PolarHBondContact O-N 3.49Å; L947-S949 VanDerWaalsContact O-N 3.11Å
948	N	61.5	Low	85.4	Confident	175 Å²	175	24 Å²	24	94%	0.936	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-58	-28.2	180	-78.4	-18.2	0	0	0	112.2	H946	H946-N948 PolarHBondContact O-N 2.88Å
949	S	66.6	Low	85.5	Confident	44 Å²	44	24 Å²	24	31%	0.308	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-154.6	85.3	174.1	53.6	0	0	0	0	112.4	A836 L947	A836-S949 WeakPolarHBondContact CB-OG 3.42Å; L947-S949 PolarHBondContact O-N 3.49Å; L947-S949 VanDerWaalsContact O-N 3.11Å
950	N	84.1	Confident	85.4	Confident	70 Å²	70	29 Å²	29	37%	0.374	15%	0.154	S	C	.	.			trans	-70.7	153	175.9	66.4	73.2	0	0	0	113.2	C941 F952	C941-N950 WeakPolarHBondContact O-CA 3.07Å; N950-F952 HydrophobicContact CB-CD1 4.3Å; N950-F952 HydrophobicContact CB-CD2 3.94Å; N950-F952 HydrophobicContact CB-CE1 4.21Å; N950-F952 HydrophobicContact CB-CE2 3.84Å; N950-F952 HydrophobicContact CB-CG 4.15Å; N950-F952 HydrophobicContact CB-CZ 3.97Å; N950-F952 WeakPolarHBondContact OD1-CD2 3.44Å
951	C	90.3	Very high	85.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.			trans	-109.2	24.9	175.5	67.6	0	0	0	0	112.9	V835 C941 L942 W953 L954 L955	V835-C951 HydrophobicContact CG1-CB 4.06Å; C941-C951 HydrophobicContact CB-CB 3.57Å; C941-C951 WeakPolarHBondContact CB-SG 3.42Å; C941-C951 PolarHBondContact O-N 3.3Å; C941-C951 PolarHBondContact O-SG 3.02Å; C941-C951 VanDerWaalsContact O-SG 3.37Å; C941-C951 WeakPolarHBondContact SG-CB 3.25Å; C941-C951 CovalentContact SG-SG 2.02Å; C941-C951 PolarHBondContact SG-SG 2.76Å; L942-C951 VanDerWaalsContact CD2-SG 3.51Å; C951-W953 PolarHBondContact O-N 3.47Å; C951-L954 HydrophobicContact CB-CB 4.2Å; C951-L954 WeakPolarHBondContact O-CA 3.49Å; C951-L954 VanDerWaalsContact O-CB 3.22Å; C951-L954 WeakPolarHBondContact O-CB 3.45Å; C951-L954 PolarHBondContact O-N 3.36Å; C951-L955 PolarHBondContact O-N 2.97Å
952	F	93.2	Very high	85.7	Confident	17 Å²	17	29.3 Å²	29.3	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-56.4	-28.4	-179	-59.4	-29.5	0	0	0	113.9	D712 L713 H716 L942 N950 L954 L955 D956	D712-F952 HydrophobicContact CB-CE2 4.08Å; D712-F952 HydrophobicContact CB-CZ 3.65Å; L713-F952 HydrophobicContact CB-CE1 3.96Å; L713-F952 HydrophobicContact CD1-CD1 4.43Å; H716-F952 HydrophobicContact CB-CD2 3.95Å; H716-F952 HydrophobicContact CB-CE2 4.35Å; H716-F952 HydrophobicContact CB-CG 4.19Å; H716-F952 AromaticContact CG-CD2 3.97Å; H716-F952 AromaticContact CG-CG 3.96Å; L942-F952 HydrophobicContact CD2-CD1 3.99Å; L942-F952 HydrophobicContact CD2-CE1 4.39Å; N950-F952 HydrophobicContact CB-CD1 4.3Å; N950-F952 HydrophobicContact CB-CD2 3.94Å; N950-F952 HydrophobicContact CB-CE1 4.21Å; N950-F952 HydrophobicContact CB-CE2 3.84Å; N950-F952 HydrophobicContact CB-CG 4.15Å; N950-F952 HydrophobicContact CB-CZ 3.97Å; N950-F952 WeakPolarHBondContact OD1-CD2 3.44Å; F952-L954 VanDerWaalsContact C-N 3.31Å; F952-L955 PolarHBondContact O-N 3.23Å; F952-D956 PolarHBondContact O-N 2.84Å
953	W	91.2	Very high	85.5	Confident	28 Å²	28	31.7 Å²	31.7	11%	0.106	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-30.8	174.5	71.9	-94	0	0	0	112.9	I830 R833 V835 C951 D956 A957 I972	I830-W953 HydrophobicContact CB-CH2 3.51Å; I830-W953 HydrophobicContact CB-CZ2 4.13Å; I830-W953 HydrophobicContact CB-CZ3 4.43Å; I830-W953 HydrophobicContact CD1-CH2 3.56Å; I830-W953 HydrophobicContact CD1-CZ2 4.3Å; I830-W953 HydrophobicContact CG1-CH2 4.05Å; I830-W953 HydrophobicContact CG2-CH2 3.68Å; I830-W953 HydrophobicContact CG2-CZ3 4.14Å; R833-W953 HydrophobicContact CB-CZ2 4Å; R833-W953 VanDerWaalsContact CD-CD2 3.49Å; V835-W953 HydrophobicContact CG2-CH2 4.39Å; V835-W953 HydrophobicContact CG2-CZ2 3.39Å; C951-W953 PolarHBondContact O-N 3.47Å; W953-D956 WeakPolarHBondContact O-CB 3.45Å; W953-A957 PolarHBondContact O-N 3.02Å; W953-A957 VanDerWaalsContact O-N 3.11Å; W953-I972 HydrophobicContact CE3-CD1 4.1Å; W953-I972 HydrophobicContact CZ3-CD1 4.05Å; W953-I972 HydrophobicContact CZ3-CG1 4.35Å; W953-I972 HydrophobicContact CZ3-CG2 4.31Å
954	L	93.4	Very high	85.3	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67.6	-49.4	174.1	175.5	60.8	0	0	0	108.1	I830 L916 Y936 C951 F952 D956 A957 L958 L973	I830-L954 HydrophobicContact CD1-CD1 4.28Å; L916-L954 HydrophobicContact CD2-CD1 4.27Å; Y936-L954 HydrophobicContact CD2-CD2 4.24Å; Y936-L954 HydrophobicContact CE1-CD2 4.28Å; Y936-L954 HydrophobicContact CE2-CD2 3.92Å; C951-L954 HydrophobicContact CB-CB 4.2Å; C951-L954 WeakPolarHBondContact O-CA 3.49Å; C951-L954 VanDerWaalsContact O-CB 3.22Å; C951-L954 WeakPolarHBondContact O-CB 3.45Å; C951-L954 PolarHBondContact O-N 3.36Å; F952-L954 VanDerWaalsContact C-N 3.31Å; L954-D956 VanDerWaalsContact C-N 3.31Å; L954-D956 PolarHBondContact O-N 2.84Å; L954-A957 WeakPolarHBondContact O-CA 3.47Å; L954-A957 VanDerWaalsContact O-CB 3.3Å; L954-A957 WeakPolarHBondContact O-CB 3.01Å; L954-A957 PolarHBondContact O-N 2.97Å; L954-L958 WeakPolarHBondContact O-CG 3.45Å; L954-L958 PolarHBondContact O-N 3.04Å; L954-L973 HydrophobicContact CD1-CD2 3.95Å
955	L	95.1	Very high	84.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-41.7	174.2	-178.8	64.8	0	0	0	112.4	L713 L717 L743 I771 F773 L942 C951 F952 A957 L958 L959	L713-L955 HydrophobicContact CD1-CD2 3.17Å; L717-L955 HydrophobicContact CD2-CD2 4.01Å; L743-L955 HydrophobicContact CD1-CD1 4.3Å; I771-L955 HydrophobicContact CD1-CD1 4.36Å; I771-L955 HydrophobicContact CG2-CD1 4.2Å; F773-L955 HydrophobicContact CE2-CD1 3.83Å; F773-L955 HydrophobicContact CZ-CB 4.41Å; F773-L955 HydrophobicContact CZ-CD1 4.19Å; L942-L955 HydrophobicContact CD2-CB 4.27Å; L942-L955 HydrophobicContact CD2-CD2 4.33Å; C951-L955 PolarHBondContact O-N 2.97Å; F952-L955 PolarHBondContact O-N 3.23Å; L955-A957 PolarHBondContact O-N 2.95Å; L955-L958 PolarHBondContact O-N 3.35Å; L955-L958 VanDerWaalsContact O-N 3.13Å; L955-L959 HydrophobicContact CD1-CD1 4.37Å; L955-L959 HydrophobicContact CD1-CG 4.24Å; L955-L959 HydrophobicContact CG-CD1 3.97Å; L955-L959 HydrophobicContact CG-CG 4.3Å; L955-L959 WeakPolarHBondContact O-CB 3.36Å; L955-L959 WeakPolarHBondContact O-CG 3.29Å; L955-L959 PolarHBondContact O-N 2.73Å
956	D	94.3	Very high	84.9	Confident	17 Å²	17	40 Å²	40	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-41.2	173	-84	-9.8	0	0	0	111.6	H716 K720 F952 W953 L954 Q960	H716-D956 IonicContact CD2-OD1 2.7Å; H716-D956 IonicContact CE1-OD1 3.36Å; H716-D956 IonicContact CE1-OD2 3.27Å; H716-D956 PolarHBondContact CE1-OD2 3.26Å; H716-D956 VanDerWaalsContact NE2-CG 3.27Å; H716-D956 IonicContact NE2-OD1 2.87Å; H716-D956 PolarHBondContact NE2-OD1 3.11Å; H716-D956 IonicContact NE2-OD2 3.89Å; H716-D956 PolarHBondContact NE2-OD2 3.32Å; K720-D956 WeakPolarHBondContact CE-OD2 3.34Å; K720-D956 IonicContact NZ-OD2 2.82Å; K720-D956 PolarHBondContact NZ-OD2 3.31Å; F952-D956 PolarHBondContact O-N 2.84Å; W953-D956 WeakPolarHBondContact O-CB 3.45Å; L954-D956 VanDerWaalsContact C-N 3.31Å; L954-D956 PolarHBondContact O-N 2.84Å; D956-Q960 VanDerWaalsContact O-CG 3.26Å; D956-Q960 WeakPolarHBondContact O-CG 3.38Å; D956-Q960 PolarHBondContact O-N 3Å
957	A	92.9	Very high	85.3	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-42.6	177.1	0	0	0	0	0	111.2	W953 L954 L955 L959 Q960 F961 P970 I972 L973	W953-A957 PolarHBondContact O-N 3.02Å; W953-A957 VanDerWaalsContact O-N 3.11Å; L954-A957 WeakPolarHBondContact O-CA 3.47Å; L954-A957 VanDerWaalsContact O-CB 3.3Å; L954-A957 WeakPolarHBondContact O-CB 3.01Å; L954-A957 PolarHBondContact O-N 2.97Å; L955-A957 PolarHBondContact O-N 2.95Å; A957-L959 VanDerWaalsContact C-N 3.35Å; A957-L959 PolarHBondContact O-N 3.49Å; A957-Q960 PolarHBondContact O-N 2.69Å; A957-F961 WeakPolarHBondContact O-CB 3.33Å; A957-F961 PolarHBondContact O-N 3.38Å; A957-P970 HydrophobicContact CB-CB 4.16Å; A957-P970 HydrophobicContact CB-CG 3.93Å; A957-P970 VanDerWaalsContact O-CG 3.28Å; A957-P970 WeakPolarHBondContact O-CG 3.22Å; A957-I972 HydrophobicContact CB-CG2 4.35Å; A957-L973 HydrophobicContact CB-CD1 4.01Å; A957-L973 HydrophobicContact CB-CG 4.43Å
958	L	95.4	Very high	86.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-39.3	176.2	-59.4	-173.6	0	0	0	112	I771 F773 L916 L918 L954 L955 F961 S962 L973	I771-L958 HydrophobicContact CD1-CB 3.95Å; I771-L958 HydrophobicContact CG2-CD1 4.18Å; F773-L958 HydrophobicContact CE2-CD1 3.84Å; F773-L958 HydrophobicContact CZ-CD1 3.79Å; L916-L958 HydrophobicContact CD1-CD1 4.3Å; L916-L958 HydrophobicContact CD1-CD2 4.09Å; L916-L958 HydrophobicContact CD2-CD2 4.32Å; L918-L958 HydrophobicContact CD2-CD2 3.6Å; L954-L958 WeakPolarHBondContact O-CG 3.45Å; L954-L958 PolarHBondContact O-N 3.04Å; L955-L958 PolarHBondContact O-N 3.35Å; L955-L958 VanDerWaalsContact O-N 3.13Å; L958-F961 WeakPolarHBondContact O-CB 3.07Å; L958-F961 PolarHBondContact O-N 3.33Å; L958-S962 WeakPolarHBondContact O-CB 3.46Å; L958-S962 PolarHBondContact O-N 3.26Å; L958-L973 HydrophobicContact CD2-CD1 4.33Å
959	L	95.5	Very high	87.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-35.5	174.5	-73.6	169.4	0	0	0	112.4	I672 L717 Y722 T741 I771 L955 A957 S962 T963	I672-L959 HydrophobicContact CD1-CD1 3.99Å; I672-L959 HydrophobicContact CD1-CD2 3.73Å; I672-L959 HydrophobicContact CG1-CD2 4.28Å; L717-L959 HydrophobicContact CD2-CD1 3.48Å; L717-L959 VanDerWaalsContact CD2-CD1 3.48Å; Y722-L959 HydrophobicContact CD2-CD1 4.39Å; Y722-L959 HydrophobicContact CE2-CD1 3.97Å; T741-L959 HydrophobicContact CG2-CD2 3.96Å; I771-L959 HydrophobicContact CD1-CD2 3.79Å; I771-L959 HydrophobicContact CD1-CG 4.11Å; L955-L959 HydrophobicContact CD1-CD1 4.37Å; L955-L959 HydrophobicContact CD1-CG 4.24Å; L955-L959 HydrophobicContact CG-CD1 3.97Å; L955-L959 HydrophobicContact CG-CG 4.3Å; L955-L959 WeakPolarHBondContact O-CB 3.36Å; L955-L959 WeakPolarHBondContact O-CG 3.29Å; L955-L959 PolarHBondContact O-N 2.73Å; A957-L959 VanDerWaalsContact C-N 3.35Å; A957-L959 PolarHBondContact O-N 3.49Å; L959-S962 WeakPolarHBondContact CA-OG 3.49Å; L959-S962 PolarHBondContact O-OG 2.66Å; L959-T963 WeakPolarHBondContact O-CB 3.3Å; L959-T963 VanDerWaalsContact O-CG2 3.27Å; L959-T963 WeakPolarHBondContact O-CG2 3.47Å; L959-T963 PolarHBondContact O-N 2.82Å; L959-T963 PolarHBondContact O-OG1 3Å
960	Q	92.6	Very high	88.5	Confident	107 Å²	107	35.3 Å²	35.3	50%	0.5	18%	0.181	S	C	.	.	H	α-helix	trans	-66.5	-40.4	172.2	-75.6	170.3	36.9	0	0	111.6	D956 A957 T963 S964 P970	D956-Q960 VanDerWaalsContact O-CG 3.26Å; D956-Q960 WeakPolarHBondContact O-CG 3.38Å; D956-Q960 PolarHBondContact O-N 3Å; A957-Q960 PolarHBondContact O-N 2.69Å; Q960-T963 PolarHBondContact O-OG1 3.43Å; Q960-S964 WeakPolarHBondContact O-CB 3.34Å; Q960-S964 PolarHBondContact O-N 2.94Å; Q960-S964 VanDerWaalsContact O-N 3.07Å; Q960-P970 HydrophobicContact CB-CG 4.2Å
961	F	93.3	Very high	88.5	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-46.6	174.6	171.8	-107.2	0	0	0	111.5	L918 W919 T920 R932 S934 A957 L958 T963 S964 G967 I969	L918-F961 HydrophobicContact CB-CE1 3.96Å; L918-F961 HydrophobicContact CB-CZ 3.89Å; L918-F961 HydrophobicContact CD2-CD1 4.14Å; L918-F961 HydrophobicContact CD2-CE1 4.13Å; L918-F961 HydrophobicContact CG-CE1 4.44Å; W919-F961 WeakPolarHBondContact O-CZ 3.33Å; T920-F961 HydrophobicContact CG2-CE2 4.19Å; T920-F961 HydrophobicContact CG2-CZ 4.38Å; R932-F961 HydrophobicContact CB-CD1 4.18Å; R932-F961 HydrophobicContact CB-CE1 3.66Å; R932-F961 HydrophobicContact CB-CZ 4.06Å; R932-F961 HydrophobicContact CG-CE1 4.26Å; R932-F961 HydrophobicContact CG-CZ 4.2Å; S934-F961 WeakPolarHBondContact OG-CD1 3.3Å; A957-F961 WeakPolarHBondContact O-CB 3.33Å; A957-F961 PolarHBondContact O-N 3.38Å; L958-F961 WeakPolarHBondContact O-CB 3.07Å; L958-F961 PolarHBondContact O-N 3.33Å; F961-T963 VanDerWaalsContact C-N 3.29Å; F961-T963 PolarHBondContact O-N 3.24Å; F961-S964 PolarHBondContact O-N 3.4Å; F961-G967 WeakPolarHBondContact CE2-O 3.47Å; F961-I969 HydrophobicContact CD2-CG1 3.96Å; F961-I969 HydrophobicContact CE2-CG1 3.86Å
962	S	92	Very high	88.1	Confident	6 Å²	6	44.3 Å²	44.3	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-34.4	-179.3	77.9	0	0	0	0	112.8	T741 S769 L958 L959	T741-S962 PolarHBondContact OG1-OG 2.96Å; S769-S962 PolarHBondContact OG-O 2.75Å; L958-S962 WeakPolarHBondContact O-CB 3.46Å; L958-S962 PolarHBondContact O-N 3.26Å; L959-S962 WeakPolarHBondContact CA-OG 3.49Å; L959-S962 PolarHBondContact O-OG 2.66Å
963	T	88.7	Confident	87.8	Confident	50 Å²	50	43.6 Å²	43.6	31%	0.307	21%	0.21	S	C	.	.	H	α-helix	trans	-93	-7.1	-178.3	58.5	0	0	0	0	113.9	S669 L959 Q960 F961 S965	S669-T963 VanDerWaalsContact O-CG2 3.28Å; S669-T963 WeakPolarHBondContact O-CG2 3.49Å; L959-T963 WeakPolarHBondContact O-CB 3.3Å; L959-T963 VanDerWaalsContact O-CG2 3.27Å; L959-T963 WeakPolarHBondContact O-CG2 3.47Å; L959-T963 PolarHBondContact O-N 2.82Å; L959-T963 PolarHBondContact O-OG1 3Å; Q960-T963 PolarHBondContact O-OG1 3.43Å; F961-T963 VanDerWaalsContact C-N 3.29Å; F961-T963 PolarHBondContact O-N 3.24Å; T963-S965 PolarHBondContact O-N 3.39Å
964	S	85.3	Confident	87.3	Confident	25 Å²	25	46.8 Å²	46.8	18%	0.175	23%	0.228	C	C	.	.			trans	-73.3	121.3	179.5	-174.3	0	0	0	0	111.4	R932 Q960 F961 M966 G967 R968	R932-S964 PolarHBondContact NE-O 2.78Å; R932-S964 VanDerWaalsContact NE-O 3.11Å; R932-S964 PolarHBondContact NH2-O 3.45Å; Q960-S964 WeakPolarHBondContact O-CB 3.34Å; Q960-S964 PolarHBondContact O-N 2.94Å; Q960-S964 VanDerWaalsContact O-N 3.07Å; F961-S964 PolarHBondContact O-N 3.4Å; S964-M966 PolarHBondContact O-N 3.46Å; S964-M966 VanDerWaalsContact O-N 3.15Å; S964-G967 PolarHBondContact O-N 3.46Å; S964-G967 PolarHBondContact OG-N 2.88Å; S964-R968 PolarHBondContact OG-N 3Å
965	S	76.1	Confident	86.5	Confident	88 Å²	88	53.4 Å²	53.4	62%	0.615	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.5	176.4	57.5	0	0	0	0	113.5	R932 T963	R932-S965 PolarHBondContact NH2-O 2.98Å; T963-S965 PolarHBondContact O-N 3.39Å
966	M	76.4	Confident	85.9	Confident	106 Å²	106	56.7 Å²	56.7	52%	0.522	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	3.1	176.9	-61.7	-173.8	77.2	0	0	113.3	S964 R968	S964-M966 PolarHBondContact O-N 3.46Å; S964-M966 VanDerWaalsContact O-N 3.15Å; M966-R968 VanDerWaalsContact C-N 3.25Å; M966-R968 HydrophobicContact CB-CG 4.11Å; M966-R968 PolarHBondContact O-N 3.14Å; M966-R968 PolarHBondContact SD-NH2 3.46Å; M966-R968 VanDerWaalsContact SD-NH2 3.39Å
967	G	76.7	Confident	85.5	Confident	5 Å²	5	56.9 Å²	56.9	5%	0.052	28%	0.275	C	S	.	.			trans	59.7	36.2	-174.2	0	0	0	0	0	112.8	T920 F961 S964 I969	T920-G967 WeakPolarHBondContact OG1-CA 3.43Å; F961-G967 WeakPolarHBondContact CE2-O 3.47Å; S964-G967 PolarHBondContact O-N 3.46Å; S964-G967 PolarHBondContact OG-N 2.88Å; G967-I969 PolarHBondContact O-N 2.93Å; G967-I969 VanDerWaalsContact O-N 3.1Å
968	R	83.5	Confident	85.1	Confident	173 Å²	173	60.3 Å²	60.3	65%	0.653	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-65.1	116.2	179.4	-71.3	-177.4	-173.3	179.4	1.9	108.8	S964 M966 P970	S964-R968 PolarHBondContact OG-N 3Å; M966-R968 VanDerWaalsContact C-N 3.25Å; M966-R968 HydrophobicContact CB-CG 4.11Å; M966-R968 PolarHBondContact O-N 3.14Å; M966-R968 PolarHBondContact SD-NH2 3.46Å; M966-R968 VanDerWaalsContact SD-NH2 3.39Å; R968-P970 WeakPolarHBondContact O-CD 3.29Å
969	I	84.3	Confident	84.4	Confident	28 Å²	28	64.7 Å²	64.7	14%	0.144	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-66.3	129.6	172.9	-58.6	176.3	0	0	0	107.6	V859 L918 F961 G967 R971 L973 I974 M977	V859-I969 HydrophobicContact CB-CD1 3.58Å; V859-I969 HydrophobicContact CG1-CD1 3.77Å; V859-I969 HydrophobicContact CG2-CD1 3.35Å; L918-I969 HydrophobicContact CD1-CG1 4.47Å; L918-I969 HydrophobicContact CD1-CG2 4.16Å; F961-I969 HydrophobicContact CD2-CG1 3.96Å; F961-I969 HydrophobicContact CE2-CG1 3.86Å; G967-I969 PolarHBondContact O-N 2.93Å; G967-I969 VanDerWaalsContact O-N 3.1Å; I969-R971 PolarHBondContact O-N 3.13Å; I969-L973 HydrophobicContact CG2-CB 3.89Å; I969-I974 HydrophobicContact CB-CD1 4.29Å; I969-I974 HydrophobicContact CB-CG1 3.81Å; I969-I974 HydrophobicContact CG2-CG1 3.72Å; I969-I974 WeakPolarHBondContact O-CD1 3.29Å; I969-M977 HydrophobicContact CG2-SD 4.29Å
970	P	85.4	Confident	83.5	Confident	16 Å²	16	65.7 Å²	65.7	10%	0.104	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-56.3	139.3	175.8	-28.8	36.7	0	0	0	111.6	A957 Q960 R968 I972 L973 I974	A957-P970 HydrophobicContact CB-CB 4.16Å; A957-P970 HydrophobicContact CB-CG 3.93Å; A957-P970 VanDerWaalsContact O-CG 3.28Å; A957-P970 WeakPolarHBondContact O-CG 3.22Å; Q960-P970 HydrophobicContact CB-CG 4.2Å; R968-P970 WeakPolarHBondContact O-CD 3.29Å; P970-I972 HydrophobicContact CB-CG2 4.18Å; P970-I972 PolarHBondContact O-N 3.11Å; P970-L973 PolarHBondContact O-N 3.1Å; P970-I974 PolarHBondContact O-N 2.82Å
971	R	83.4	Confident	82.3	Confident	200 Å²	200	67.6 Å²	67.6	76%	0.755	34%	0.337	S	S	*	.	H	α-helix	trans	-53.3	-34.2	-176.8	-173.2	176.5	175.9	-179.7	0.4	113.3	I969 L973 I974	I969-R971 PolarHBondContact O-N 3.13Å; R971-L973 PolarHBondContact O-N 3.3Å; R971-I974 PolarHBondContact O-N 3.19Å
972	I	81.7	Confident	80.8	Confident	59 Å²	59	72.5 Å²	72.5	30%	0.303	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-27.8	179.1	-163.1	162	0	0	0	113.2	I830 W953 A957 P970	I830-I972 HydrophobicContact CG2-CG1 4.1Å; I830-I972 WeakPolarHBondContact CG2-O 3.4Å; W953-I972 HydrophobicContact CE3-CD1 4.1Å; W953-I972 HydrophobicContact CZ3-CD1 4.05Å; W953-I972 HydrophobicContact CZ3-CG1 4.35Å; W953-I972 HydrophobicContact CZ3-CG2 4.31Å; A957-I972 HydrophobicContact CB-CG2 4.35Å; P970-I972 HydrophobicContact CB-CG2 4.18Å; P970-I972 PolarHBondContact O-N 3.11Å
973	L	85.7	Confident	79.4	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-92.9	-35.6	178.6	-64.6	178.1	0	0	0	112.1	I830 L916 L918 L954 A957 L958 I969 P970 R971 E975 Q976 M977	I830-L973 HydrophobicContact CD1-CD2 3.91Å; I830-L973 HydrophobicContact CG2-CD2 4Å; L916-L973 HydrophobicContact CD2-CD2 4.49Å; L918-L973 HydrophobicContact CD1-CD1 4.18Å; L954-L973 HydrophobicContact CD1-CD2 3.95Å; A957-L973 HydrophobicContact CB-CD1 4.01Å; A957-L973 HydrophobicContact CB-CG 4.43Å; L958-L973 HydrophobicContact CD2-CD1 4.33Å; I969-L973 HydrophobicContact CG2-CB 3.89Å; P970-L973 PolarHBondContact O-N 3.1Å; R971-L973 PolarHBondContact O-N 3.3Å; L973-E975 VanDerWaalsContact C-N 3.26Å; L973-E975 PolarHBondContact O-N 3.14Å; L973-E975 VanDerWaalsContact O-N 3.14Å; L973-Q976 PolarHBondContact O-N 3.36Å; L973-Q976 VanDerWaalsContact O-N 3.15Å; L973-M977 HydrophobicContact CB-CG 4.43Å; L973-M977 HydrophobicContact CB-SD 3.7Å; L973-M977 VanDerWaalsContact O-CG 3.27Å; L973-M977 WeakPolarHBondContact O-CG 3.29Å; L973-M977 PolarHBondContact O-N 3.23Å
974	I	81.3	Confident	77.8	Confident	95 Å²	95	77.8 Å²	77.8	49%	0.487	39%	0.394	S	S	.	.	H	α-helix	trans	-51.5	-42.9	-174.1	-71.8	172.6	0	0	0	112.9	I969 P970 R971 Q976	I969-I974 HydrophobicContact CB-CD1 4.29Å; I969-I974 HydrophobicContact CB-CG1 3.81Å; I969-I974 HydrophobicContact CG2-CG1 3.72Å; I969-I974 WeakPolarHBondContact O-CD1 3.29Å; P970-I974 PolarHBondContact O-N 2.82Å; R971-I974 PolarHBondContact O-N 3.19Å; I974-Q976 PolarHBondContact O-N 3.45Å; I974-Q976 VanDerWaalsContact O-N 3.16Å
975	E	77.7	Confident	76.9	Confident	140 Å²	140	81.5 Å²	81.5	65%	0.654	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.7	-172	-68.6	179	-175.9	0	0	114	L973	L973-E975 VanDerWaalsContact C-N 3.26Å; L973-E975 PolarHBondContact O-N 3.14Å; L973-E975 VanDerWaalsContact O-N 3.14Å
976	Q	82.2	Confident	77.1	Confident	70 Å²	70	78.9 Å²	78.9	33%	0.327	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-12.4	-174.8	-63.8	-169.4	-18	0	0	114.4	V829 L861 L973 I974	V829-Q976 VanDerWaalsContact O-CD 3.26Å; V829-Q976 PolarHBondContact O-NE2 2.65Å; V829-Q976 PolarHBondContact O-OE1 2.98Å; L861-Q976 HydrophobicContact CD1-CB 3.75Å; L973-Q976 PolarHBondContact O-N 3.36Å; L973-Q976 VanDerWaalsContact O-N 3.15Å; I974-Q976 PolarHBondContact O-N 3.45Å; I974-Q976 VanDerWaalsContact O-N 3.16Å
977	M	85.4	Confident	77.2	Confident	21 Å²	21	75.7 Å²	75.7	10%	0.103	37%	0.368	C	S	.	.			trans	-91.6	151	179.6	-59.4	178.1	85.8	0	0	111.1	V859 L860 L861 L916 L918 I969 L973	V859-M977 HydrophobicContact CB-CE 4.15Å; V859-M977 HydrophobicContact CG1-CB 3.17Å; V859-M977 HydrophobicContact CG1-CE 3.66Å; V859-M977 HydrophobicContact CG1-CG 3.99Å; V859-M977 HydrophobicContact CG1-SD 3.66Å; V859-M977 WeakPolarHBondContact O-CE 3.3Å; L860-M977 CarbonylContact O-C 3.36Å; L860-M977 WeakPolarHBondContact O-CA 3.4Å; L860-M977 WeakPolarHBondContact O-CB 3.44Å; L861-M977 HydrophobicContact CB-CE 4.46Å; L861-M977 HydrophobicContact CB-CG 4.14Å; L861-M977 HydrophobicContact CD1-CG 4.12Å; L916-M977 HydrophobicContact CD2-CE 4.16Å; L916-M977 HydrophobicContact CG-CE 4.37Å; L918-M977 HydrophobicContact CB-CE 4.17Å; L918-M977 HydrophobicContact CD1-CE 3.54Å; L918-M977 HydrophobicContact CD1-SD 3.76Å; L918-M977 HydrophobicContact CG-CE 3.53Å; L918-M977 HydrophobicContact CG-SD 4.43Å; I969-M977 HydrophobicContact CG2-SD 4.29Å; L973-M977 HydrophobicContact CB-CG 4.43Å; L973-M977 HydrophobicContact CB-SD 3.7Å; L973-M977 VanDerWaalsContact O-CG 3.27Å; L973-M977 WeakPolarHBondContact O-CG 3.29Å; L973-M977 PolarHBondContact O-N 3.23Å
978	F	84.1	Confident	77	Confident	75 Å²	75	79.9 Å²	79.9	33%	0.329	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-123.3	157.4	178.4	69	-82.2	0	0	0	111	L860 K862	L860-F978 HydrophobicContact CB-CD1 4.43Å; L860-F978 HydrophobicContact CB-CE1 3.8Å; L860-F978 HydrophobicContact CB-CE2 4.14Å; L860-F978 HydrophobicContact CB-CZ 3.63Å; L860-F978 HydrophobicContact CD1-CE2 4.1Å; L860-F978 HydrophobicContact CD1-CZ 3.99Å; L860-F978 HydrophobicContact CG-CZ 4.44Å; L860-F978 PolarHBondContact N-O 3.11Å; L860-F978 VanDerWaalsContact O-CD1 3.25Å; L860-F978 WeakPolarHBondContact O-CD1 3.06Å; L860-F978 WeakPolarHBondContact O-CE1 3.44Å; L860-F978 PolarHBondContact O-N 3.46Å; K862-F978 HydrophobicContact CB-CE1 4.1Å; K862-F978 HydrophobicContact CD-CE1 3.68Å; K862-F978 HydrophobicContact CD-CZ 3.72Å; K862-F978 HydrophobicContact CG-CE1 3.64Å; K862-F978 HydrophobicContact CG-CZ 3.99Å
979	T	80.8	Confident	76.8	Confident	92 Å²	92	76.1 Å²	76.1	56%	0.564	40%	0.396	S	S	*	.			trans	-96.5	124.3	174.2	50.6	0	0	0	0	109.6	T858 V859	T858-T979 WeakPolarHBondContact O-CG2 3.23Å; V859-T979 HydrophobicContact CG2-CG2 4.09Å
980	P	76.1	Confident	76.8	Confident	22 Å²	22	75.1 Å²	75.1	14%	0.143	39%	0.392	C	S	.	.			trans	-69.8	148.2	178.1	28.2	-33.5	0	0	0	112	N848 T858 L860	N848-P980 HydrophobicContact CB-CG 4.14Å; N848-P980 PolarHBondContact ND2-O 2.86Å; N848-P980 PolarHBondContact OD1-O 2.98Å; T858-P980 HydrophobicContact CG2-CG 3.78Å; L860-P980 HydrophobicContact CD1-CB 4.06Å; L860-P980 HydrophobicContact CD1-CG 3.84Å; L860-P980 HydrophobicContact CG-CG 4.32Å
981	N	68.6	Low	76.9	Confident	147 Å²	147	78.1 Å²	78.1	79%	0.786	41%	0.41	S	S	*	.	S	Bend	trans	-86.9	-22.5	-179.3	-69.7	-19.6	0	0	0	113.8
982	T	62.1	Low	77.1	Confident	104 Å²	104	70.2 Å²	70.2	64%	0.638	39%	0.387	S	S	*	.			trans	-140.5	158	-175.4	52.3	0	0	0	0	112.2	N848	N848-T982 PolarHBondContact ND2-N 2.88Å
983	E	60.8	Low	77.5	Confident	71 Å²	71	67.9 Å²	67.9	33%	0.332	38%	0.375	S	S	.	.	S	Bend	trans	-94.5	-7.2	-169.5	-89.5	-169.4	152.4	0	0	116.9	N848 R849 A850	N848-E983 HydrophobicContact CB-CG 3.42Å; N848-E983 VanDerWaalsContact CB-CG 3.42Å; N848-E983 PolarHBondContact N-OE1 2.84Å; R849-E983 PolarHBondContact N-OE1 2.85Å; A850-E983 PolarHBondContact N-OE1 3.11Å
984	V	56.8	Low	77.5	Confident	96 Å²	96	72.3 Å²	72.3	58%	0.582	40%	0.399	S	S	*	.	S	Bend	trans	-87	-49.3	-157.5	-164.3	0	0	0	0	112.4
985	W	66.3	Low	77.8	Confident	103 Å²	103	68.4 Å²	68.4	39%	0.39	38%	0.378	S	S	.	.			trans	-149.5	129.2	-179.8	-66	101.4	0	0	0	108.7	R844	R844-W985 HydrophobicContact CG-CE3 3.69Å; R844-W985 HydrophobicContact CG-CZ3 3.55Å; R844-W985 VanDerWaalsContact NH1-CZ3 3.31Å
986	I	79.2	Confident	78.1	Confident	33 Å²	33	62.4 Å²	62.4	17%	0.169	35%	0.352	C	S	.	.	S	Bend	trans	-75.1	-42.1	171.2	-68.1	171	0	0	0	109.3	L843 R844 F846 L860 T914	L843-I986 HydrophobicContact CB-CD1 4.34Å; R844-I986 PolarHBondContact O-N 2.96Å; F846-I986 HydrophobicContact CB-CD1 3.4Å; F846-I986 VanDerWaalsContact CB-CD1 3.4Å; F846-I986 HydrophobicContact CB-CG1 4.48Å; L860-I986 HydrophobicContact CD1-CD1 3.56Å; L860-I986 HydrophobicContact CD1-CG1 3.88Å; L860-I986 HydrophobicContact CD1-CG2 4.37Å; L860-I986 HydrophobicContact CD2-CD1 4.12Å; T914-I986 HydrophobicContact CG2-CG2 4.35Å; T914-I986 WeakPolarHBondContact OG1-CG2 3.36Å
987	D	79	Confident	77.7	Confident	39 Å²	39	65 Å²	65	21%	0.209	36%	0.362	C	S	.	.			trans	-143.7	100	175.3	-165.8	-22.2	0	0	0	108.9	S989 L990	D987-S989 PolarHBondContact O-N 2.77Å; D987-S989 VanDerWaalsContact OD1-CB 3.29Å; D987-S989 WeakPolarHBondContact OD1-CB 3.43Å; D987-S989 PolarHBondContact OD1-N 3.1Å; D987-S989 PolarHBondContact OD1-OG 2.71Å; D987-L990 HydrophobicContact CB-CD1 3.89Å; D987-L990 HydrophobicContact CB-CG 4.01Å; D987-L990 PolarHBondContact O-N 3.03Å
988	S	72.8	Confident	77.1	Confident	92 Å²	92	69.4 Å²	69.4	64%	0.643	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.2	179.4	55.4	0	0	0	0	113.1
989	S	79.7	Confident	76.9	Confident	94 Å²	94	65.9 Å²	65.9	66%	0.657	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.3	178.6	74.4	0	0	0	0	112.7	D987	D987-S989 PolarHBondContact O-N 2.77Å; D987-S989 VanDerWaalsContact OD1-CB 3.29Å; D987-S989 WeakPolarHBondContact OD1-CB 3.43Å; D987-S989 PolarHBondContact OD1-N 3.1Å; D987-S989 PolarHBondContact OD1-OG 2.71Å
990	L	82.7	Confident	76.8	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.042	36%	0.362	C	S	.	.	S	Bend	trans	-72.6	139	177.9	-60.6	175.6	0	0	0	111.1	S822 F824 S842 R844 D987	S822-L990 VanDerWaalsContact OG-CD2 3.31Å; S822-L990 WeakPolarHBondContact OG-CD2 3.23Å; F824-L990 HydrophobicContact CE2-CD2 4.48Å; F824-L990 HydrophobicContact CZ-CD2 4.26Å; S842-L990 WeakPolarHBondContact OG-CD1 3.49Å; R844-L990 HydrophobicContact CB-CB 4.36Å; R844-L990 HydrophobicContact CB-CD1 4.33Å; R844-L990 HydrophobicContact CG-CB 4.07Å; R844-L990 PolarHBondContact NE-O 3.04Å; D987-L990 HydrophobicContact CB-CD1 3.89Å; D987-L990 HydrophobicContact CB-CG 4.01Å; D987-L990 PolarHBondContact O-N 3.03Å
991	T	88.3	Confident	77.2	Confident	79 Å²	79	64.9 Å²	64.9	49%	0.485	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-90	149.3	173.3	30.1	0	0	0	0	111	G820 D821	G820-T991 CarbonylContact C-O 3.4Å; G820-T991 VanDerWaalsContact CA-O 3.24Å; G820-T991 WeakPolarHBondContact CA-O 3.47Å; D821-T991 PolarHBondContact N-O 2.98Å; D821-T991 PolarHBondContact OD1-OG1 3.23Å; D821-T991 WeakPolarHBondContact OD2-CB 3.42Å; D821-T991 PolarHBondContact OD2-OG1 2.83Å
992	A	88.3	Confident	78	Confident	33 Å²	33	58.1 Å²	58.1	27%	0.273	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-74.1	138.2	173.3	0	0	0	0	0	109.7	E818 L994	E818-A992 VanDerWaalsContact OE1-CB 3.31Å; E818-A992 WeakPolarHBondContact OE1-CB 3.05Å; A992-L994 PolarHBondContact O-N 2.87Å
993	P	90.4	Very high	78.8	Confident	10 Å²	10	57 Å²	57	7%	0.065	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-65.3	135.3	173.9	28.4	-34	0	0	0	110.2	Y777 L805 P806 N809 F819 D821	Y777-P993 HydrophobicContact CD1-CB 3.62Å; Y777-P993 HydrophobicContact CE1-CB 4.21Å; Y777-P993 HydrophobicContact CG-CB 4.44Å; L805-P993 HydrophobicContact CB-CB 4.23Å; L805-P993 HydrophobicContact CB-CG 3.75Å; P806-P993 HydrophobicContact CG-CB 4.02Å; P806-P993 HydrophobicContact CG-CG 4.41Å; N809-P993 WeakPolarHBondContact ND2-CD 3.47Å; N809-P993 WeakPolarHBondContact ND2-CG 3.41Å; F819-P993 VanDerWaalsContact O-CD 3.22Å; F819-P993 WeakPolarHBondContact O-CD 3.45Å; D821-P993 HydrophobicContact CB-CB 3.99Å
994	L	85.6	Confident	79.7	Confident	95 Å²	95	56.8 Å²	56.8	50%	0.497	31%	0.309	S	S	.	.			trans	-110.9	139.9	176.9	-64.4	177.2	0	0	0	109.8	Y777 T779 A992 A996	Y777-L994 VanDerWaalsContact CE1-O 3.32Å; Y777-L994 WeakPolarHBondContact CE1-O 3.42Å; T779-L994 WeakPolarHBondContact CG2-O 3.46Å; A992-L994 PolarHBondContact O-N 2.87Å; L994-A996 PolarHBondContact O-N 3.3Å
995	R	87.5	Confident	81.1	Confident	13 Å²	13	52.3 Å²	52.3	5%	0.049	28%	0.282	C	S	.	.			trans	-54.7	134.1	176.4	-70.9	179.9	174.4	87.8	0.4	111.5	E750 Y777 P806 D810 K997 L1014 S1020	E750-R995 IonicContact OE1-CZ 3.03Å; E750-R995 IonicContact OE1-NE 3.48Å; E750-R995 PolarHBondContact OE1-NE 3.16Å; E750-R995 IonicContact OE1-NH2 3.62Å; E750-R995 PolarHBondContact OE1-NH2 3.31Å; E750-R995 IonicContact OE2-CZ 2.84Å; E750-R995 IonicContact OE2-NE 3.64Å; E750-R995 IonicContact OE2-NH2 2.83Å; E750-R995 PolarHBondContact OE2-NH2 3.2Å; Y777-R995 WeakPolarHBondContact OH-CA 3.28Å; P806-R995 HydrophobicContact CB-CG 3.67Å; P806-R995 HydrophobicContact CG-CG 4.15Å; D810-R995 IonicContact OD2-CZ 2.81Å; D810-R995 IonicContact OD2-NH1 3.71Å; D810-R995 PolarHBondContact OD2-NH1 2.88Å; D810-R995 VanDerWaalsContact OD2-NH1 3.15Å; D810-R995 IonicContact OD2-NH2 3.6Å; D810-R995 PolarHBondContact OD2-NH2 2.95Å; R995-K997 PolarHBondContact O-N 3.38Å; R995-L1014 HydrophobicContact CB-CD2 4.24Å; R995-L1014 HydrophobicContact CG-CD2 4.4Å; R995-S1020 PolarHBondContact NH1-O 2.93Å
996	A	82.3	Confident	81.9	Confident	14 Å²	14	50.8 Å²	50.8	12%	0.116	28%	0.282	C	S	.	.			trans	-65.6	121.9	-178.6	0	0	0	0	0	112	Y777 T779 M782 L994 N998 S999	Y777-A996 PolarHBondContact OH-N 3.4Å; Y777-A996 VanDerWaalsContact OH-N 3.1Å; T779-A996 HydrophobicContact CG2-CB 4.32Å; M782-A996 HydrophobicContact CE-CB 3.83Å; L994-A996 PolarHBondContact O-N 3.3Å; A996-N998 PolarHBondContact O-N 3.2Å; A996-N998 VanDerWaalsContact O-N 3.08Å; A996-S999 WeakPolarHBondContact O-CB 3.27Å; A996-S999 PolarHBondContact O-N 3.14Å; A996-S999 VanDerWaalsContact O-N 3.17Å
997	K	75.3	Confident	82.4	Confident	123 Å²	123	49.2 Å²	49.2	54%	0.535	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.9	-175.8	-68.6	-178.4	179.9	177	0	115.4	R995 S1015 N1018	R995-K997 PolarHBondContact O-N 3.38Å; K997-S1015 WeakPolarHBondContact O-CA 3.36Å; K997-S1015 WeakPolarHBondContact O-CB 3.32Å; K997-N1018 VanDerWaalsContact CE-CG 3.47Å
998	N	71.5	Confident	82.8	Confident	114 Å²	114	47.5 Å²	47.5	61%	0.61	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	10.1	-177.2	-64.5	-16	0	0	0	112.6	A996 Q1000	A996-N998 PolarHBondContact O-N 3.2Å; A996-N998 VanDerWaalsContact O-N 3.08Å; N998-Q1000 PolarHBondContact O-NE2 3.32Å
999	S	80.7	Confident	83.4	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.014	25%	0.247	C	C	.	.			trans	-57.1	137.9	178.2	175	0	0	0	0	111.1	D799 A996 L1001	D799-S999 VanDerWaalsContact O-CB 3.31Å; D799-S999 WeakPolarHBondContact O-CB 3.34Å; D799-S999 PolarHBondContact O-OG 3.43Å; A996-S999 WeakPolarHBondContact O-CB 3.27Å; A996-S999 PolarHBondContact O-N 3.14Å; A996-S999 VanDerWaalsContact O-N 3.17Å; S999-L1001 VanDerWaalsContact OG-CB 3.27Å; S999-L1001 WeakPolarHBondContact OG-CB 3.27Å; S999-L1001 PolarHBondContact OG-N 2.84Å; S999-L1001 VanDerWaalsContact OG-N 3.12Å
1000	Q	79.6	Confident	83.5	Confident	80 Å²	80	48.2 Å²	48.2	37%	0.374	24%	0.242	S	C	.	.			trans	-103.5	19.9	171.7	-56	-61.8	-65.7	0	0	111.5	D799 N998 N1002 L1003	D799-Q1000 WeakPolarHBondContact OD1-CA 3.27Å; D799-Q1000 VanDerWaalsContact OD1-CB 3.31Å; D799-Q1000 WeakPolarHBondContact OD1-CB 3.46Å; D799-Q1000 PolarHBondContact OD1-N 2.96Å; N998-Q1000 PolarHBondContact O-NE2 3.32Å; Q1000-N1002 PolarHBondContact O-N 3.26Å; Q1000-N1002 VanDerWaalsContact O-N 3.08Å; Q1000-L1003 HydrophobicContact CB-CD1 3.95Å; Q1000-L1003 HydrophobicContact CB-CG 4.25Å; Q1000-L1003 HydrophobicContact CG-CD1 4.47Å; Q1000-L1003 WeakPolarHBondContact O-CB 3.38Å; Q1000-L1003 PolarHBondContact O-N 2.96Å
1001	L	83.3	Confident	83.2	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.063	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-52	-35.2	-179	-176.1	63.2	0	0	0	112.2	D799 S999 L1003 Y1004 S1005 L1014	D799-L1001 HydrophobicContact CB-CB 4.5Å; S999-L1001 VanDerWaalsContact OG-CB 3.27Å; S999-L1001 WeakPolarHBondContact OG-CB 3.27Å; S999-L1001 PolarHBondContact OG-N 2.84Å; S999-L1001 VanDerWaalsContact OG-N 3.12Å; L1001-L1003 PolarHBondContact O-N 3.16Å; L1001-L1003 VanDerWaalsContact O-N 3.1Å; L1001-Y1004 CarbonylContact O-C 3.52Å; L1001-Y1004 PolarHBondContact O-N 3.33Å; L1001-S1005 VanDerWaalsContact O-CB 3.25Å; L1001-S1005 WeakPolarHBondContact O-CB 3.27Å; L1001-S1005 PolarHBondContact O-N 3.29Å; L1001-L1014 HydrophobicContact CB-CD1 4.34Å
1002	N	84.8	Confident	82.5	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.032	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-57.8	-22.6	176	66.2	-63.7	0	0	0	115.1	Q1000 Y1004 I1008 K1010 W1012 L1014	Q1000-N1002 PolarHBondContact O-N 3.26Å; Q1000-N1002 VanDerWaalsContact O-N 3.08Å; N1002-Y1004 VanDerWaalsContact C-N 3.3Å; N1002-I1008 HydrophobicContact CB-CB 4.26Å; N1002-I1008 HydrophobicContact CB-CG2 3.77Å; N1002-K1010 PolarHBondContact ND2-O 3.04Å; N1002-W1012 WeakPolarHBondContact CB-O 3.12Å; N1002-W1012 PolarHBondContact ND2-O 3.4Å; N1002-L1014 HydrophobicContact CB-CD1 4.16Å
1003	L	79.8	Confident	81.4	Confident	81 Å²	81	55.3 Å²	55.3	42%	0.424	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-73.6	-26.9	177.1	-61.5	-176.2	0	0	0	112.3	Q1000 L1001	Q1000-L1003 HydrophobicContact CB-CD1 3.95Å; Q1000-L1003 HydrophobicContact CB-CG 4.25Å; Q1000-L1003 HydrophobicContact CG-CD1 4.47Å; Q1000-L1003 WeakPolarHBondContact O-CB 3.38Å; Q1000-L1003 PolarHBondContact O-N 2.96Å; L1001-L1003 PolarHBondContact O-N 3.16Å; L1001-L1003 VanDerWaalsContact O-N 3.1Å
1004	Y	79.4	Confident	79.9	Confident	65 Å²	65	55.3 Å²	55.3	26%	0.255	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-18.1	-174.6	-52.5	-79.8	0	0	0	112.7	G685 L1001 N1002	G685-Y1004 VanDerWaalsContact CA-CE2 3.43Å; L1001-Y1004 CarbonylContact O-C 3.52Å; L1001-Y1004 PolarHBondContact O-N 3.33Å; N1002-Y1004 VanDerWaalsContact C-N 3.3Å
1005	S	86.9	Confident	78.5	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.021	26%	0.26	C	S	.	.			trans	-70	140.2	-176.1	179.6	0	0	0	0	112.9	E749 L1001 V1007 I1008	E749-S1005 WeakPolarHBondContact OE1-CB 3.33Å; E749-S1005 PolarHBondContact OE1-OG 3.5Å; E749-S1005 WeakPolarHBondContact OE2-CA 3.35Å; E749-S1005 WeakPolarHBondContact OE2-CB 3.43Å; E749-S1005 PolarHBondContact OE2-OG 2.83Å; L1001-S1005 VanDerWaalsContact O-CB 3.25Å; L1001-S1005 WeakPolarHBondContact O-CB 3.27Å; L1001-S1005 PolarHBondContact O-N 3.29Å; S1005-V1007 PolarHBondContact OG-N 3.09Å; S1005-I1008 PolarHBondContact OG-N 3.07Å
1006	N	83.1	Confident	76.8	Confident	71 Å²	71	57.9 Å²	57.9	38%	0.38	29%	0.287	S	S	.	.	S	Bend	trans	-90.1	-8.2	169.5	-76.2	-40.9	0	0	0	112.6	F677 H681 E749 Y1028	F677-N1006 HydrophobicContact CE2-CB 4.39Å; F677-N1006 HydrophobicContact CZ-CB 4.09Å; H681-N1006 PolarHBondContact CD2-ND2 2.94Å; H681-N1006 PolarHBondContact NE2-ND2 3.3Å; E749-N1006 PolarHBondContact OE2-N 3.27Å; N1006-Y1028 WeakPolarHBondContact O-CD2 3.14Å
1007	V	88.5	Confident	75.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-102.2	-44.9	-175.1	177.4	0	0	0	0	110.6	F677 E749 E750 F752 S1005 Y1027 Y1028	F677-V1007 HydrophobicContact CE1-CG2 3.98Å; E749-V1007 HydrophobicContact CG-CB 4.42Å; E749-V1007 HydrophobicContact CG-CG2 3.76Å; E750-V1007 HydrophobicContact CB-CB 4.17Å; E750-V1007 HydrophobicContact CB-CG1 3.81Å; E750-V1007 WeakPolarHBondContact O-CG2 3.38Å; F752-V1007 HydrophobicContact CD1-CG1 3.98Å; F752-V1007 HydrophobicContact CD2-CG1 4.02Å; F752-V1007 HydrophobicContact CD2-CG2 4.11Å; F752-V1007 HydrophobicContact CE1-CG1 3.93Å; F752-V1007 HydrophobicContact CE2-CB 4.14Å; F752-V1007 HydrophobicContact CE2-CG1 4Å; F752-V1007 HydrophobicContact CE2-CG2 3.65Å; F752-V1007 HydrophobicContact CG-CG1 4.03Å; F752-V1007 HydrophobicContact CZ-CB 4.1Å; F752-V1007 HydrophobicContact CZ-CG1 3.96Å; F752-V1007 HydrophobicContact CZ-CG2 4.08Å; S1005-V1007 PolarHBondContact OG-N 3.09Å; V1007-Y1027 HydrophobicContact CG1-CD1 3.58Å; V1007-Y1027 HydrophobicContact CG1-CE1 3.85Å; V1007-Y1027 WeakPolarHBondContact O-CA 3.47Å; V1007-Y1028 PolarHBondContact O-N 3.4Å
1008	I	87.7	Confident	74.3	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-89.1	134.9	179.7	-47.9	174.9	0	0	0	110.3	E750 N1002 S1005 K1010 W1012 L1014 L1022 Y1028	E750-I1008 HydrophobicContact CB-CD1 4.45Å; E750-I1008 HydrophobicContact CB-CG1 4.21Å; E750-I1008 HydrophobicContact CG-CD1 3.55Å; E750-I1008 HydrophobicContact CG-CG1 3.82Å; N1002-I1008 HydrophobicContact CB-CB 4.26Å; N1002-I1008 HydrophobicContact CB-CG2 3.77Å; S1005-I1008 PolarHBondContact OG-N 3.07Å; I1008-K1010 PolarHBondContact O-N 3.46Å; I1008-W1012 HydrophobicContact CG2-CB 4.29Å; I1008-L1014 HydrophobicContact CD1-CD1 3.59Å; I1008-L1014 HydrophobicContact CD1-CG 4.37Å; I1008-L1022 HydrophobicContact CD1-CD1 4.09Å; I1008-L1022 HydrophobicContact CG1-CD1 4.24Å; I1008-Y1028 WeakPolarHBondContact O-CE2 3.18Å
1009	R	85.9	Confident	73.6	Confident	78 Å²	78	54.9 Å²	54.9	29%	0.294	28%	0.277	S	S	.	.			trans	-63.5	134.4	172.7	-67.2	-175.4	-167.9	-173.9	8.8	111.4	E1011 W1012 E1025 A1026 Y1027 Y1028	R1009-E1011 PolarHBondContact O-N 2.67Å; R1009-E1011 VanDerWaalsContact O-N 3.11Å; R1009-W1012 WeakPolarHBondContact O-CB 3.47Å; R1009-W1012 PolarHBondContact O-N 3.31Å; R1009-E1025 WeakPolarHBondContact CD-O 3.36Å; R1009-E1025 PolarHBondContact NE-O 3Å; R1009-A1026 WeakPolarHBondContact CG-O 3.46Å; R1009-A1026 PolarHBondContact N-O 2.89Å; R1009-Y1027 VanDerWaalsContact CZ-O 3.32Å; R1009-Y1027 PolarHBondContact NE-O 3.24Å; R1009-Y1027 PolarHBondContact NH2-O 3.09Å; R1009-Y1028 HydrophobicContact CB-CE1 4.42Å; R1009-Y1028 HydrophobicContact CG-CD1 3.82Å; R1009-Y1028 HydrophobicContact CG-CD2 4.39Å; R1009-Y1028 HydrophobicContact CG-CE1 3.91Å; R1009-Y1028 HydrophobicContact CG-CE2 4.49Å; R1009-Y1028 HydrophobicContact CG-CG 4.06Å
1010	K	81.3	Confident	72.7	Confident	123 Å²	123	57.9 Å²	57.9	54%	0.535	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33	177.4	-68.8	178	-178.7	-178.5	0	113.9	N1002 I1008 W1012 Y1028	N1002-K1010 PolarHBondContact ND2-O 3.04Å; I1008-K1010 PolarHBondContact O-N 3.46Å; K1010-W1012 PolarHBondContact O-N 3.18Å; K1010-Y1028 PolarHBondContact N-OH 3.22Å
1011	E	77.2	Confident	72.1	Confident	159 Å²	159	59.9 Å²	59.9	74%	0.743	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.4	179.2	-52.7	91.3	179.4	0	0	113.7	R1009	R1009-E1011 PolarHBondContact O-N 2.67Å; R1009-E1011 VanDerWaalsContact O-N 3.11Å
1012	W	72.7	Confident	72	Confident	77 Å²	77	59.9 Å²	59.9	29%	0.292	30%	0.303	S	S	.	.			trans	-97.2	109.8	-179.6	-80.4	80.1	0	0	0	110.9	N1002 I1008 R1009 K1010 L1017 P1023 E1025 A1026	N1002-W1012 WeakPolarHBondContact CB-O 3.12Å; N1002-W1012 PolarHBondContact ND2-O 3.4Å; I1008-W1012 HydrophobicContact CG2-CB 4.29Å; R1009-W1012 WeakPolarHBondContact O-CB 3.47Å; R1009-W1012 PolarHBondContact O-N 3.31Å; K1010-W1012 PolarHBondContact O-N 3.18Å; W1012-L1017 HydrophobicContact CE3-CD1 3.81Å; W1012-L1017 HydrophobicContact CZ3-CD1 3.76Å; W1012-L1017 HydrophobicContact CZ3-CG 4.49Å; W1012-P1023 HydrophobicContact CE3-CG 4.3Å; W1012-P1023 HydrophobicContact CH2-CG 3.68Å; W1012-P1023 HydrophobicContact CZ3-CG 3.51Å; W1012-E1025 HydrophobicContact CH2-CB 4.33Å; W1012-E1025 HydrophobicContact CZ2-CB 3.62Å; W1012-E1025 PolarHBondContact NE1-O 2.83Å; W1012-A1026 HydrophobicContact CB-CB 4.39Å; W1012-A1026 HydrophobicContact CD2-CB 3.89Å; W1012-A1026 HydrophobicContact CE3-CB 3.97Å; W1012-A1026 HydrophobicContact CG-CB 4.1Å
1013	S	66.7	Low	71.8	Confident	34 Å²	34	61.4 Å²	61.4	24%	0.238	31%	0.314	C	S	.	.			trans	-78.3	136.5	167.9	177.6	0	0	0	0	110.1	S1015 T1016	S1013-S1015 WeakPolarHBondContact CB-OG 3.47Å; S1013-S1015 PolarHBondContact O-N 3.32Å; S1013-S1015 VanDerWaalsContact O-N 3.12Å; S1013-S1015 VanDerWaalsContact OG-CB 3.29Å; S1013-S1015 WeakPolarHBondContact OG-CB 3.38Å; S1013-S1015 PolarHBondContact OG-N 3.33Å; S1013-S1015 VanDerWaalsContact OG-N 3.14Å; S1013-S1015 PolarHBondContact OG-OG 2.82Å; S1013-T1016 PolarHBondContact O-N 2.71Å; S1013-T1016 PolarHBondContact O-OG1 2.89Å
1014	L	58.3	Low	72	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.052	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-61.7	-18.8	170.8	-80.9	85.4	0	0	0	112.2	R995 L1001 N1002 I1008 T1016 L1017 L1022	R995-L1014 HydrophobicContact CB-CD2 4.24Å; R995-L1014 HydrophobicContact CG-CD2 4.4Å; L1001-L1014 HydrophobicContact CB-CD1 4.34Å; N1002-L1014 HydrophobicContact CB-CD1 4.16Å; I1008-L1014 HydrophobicContact CD1-CD1 3.59Å; I1008-L1014 HydrophobicContact CD1-CG 4.37Å; L1014-T1016 PolarHBondContact O-N 3.44Å; L1014-T1016 VanDerWaalsContact O-N 3.17Å; L1014-L1017 PolarHBondContact O-N 3.03Å; L1014-L1017 VanDerWaalsContact O-N 3.07Å; L1014-L1022 HydrophobicContact CG-CD2 4.49Å
1015	S	55.9	Low	72.2	Confident	60 Å²	60	65.2 Å²	65.2	42%	0.42	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-60.3	-26.8	-179.3	70.8	0	0	0	0	114.8	K997 S1013 L1017	K997-S1015 WeakPolarHBondContact O-CA 3.36Å; K997-S1015 WeakPolarHBondContact O-CB 3.32Å; S1013-S1015 WeakPolarHBondContact CB-OG 3.47Å; S1013-S1015 PolarHBondContact O-N 3.32Å; S1013-S1015 VanDerWaalsContact O-N 3.12Å; S1013-S1015 VanDerWaalsContact OG-CB 3.29Å; S1013-S1015 WeakPolarHBondContact OG-CB 3.38Å; S1013-S1015 PolarHBondContact OG-N 3.33Å; S1013-S1015 VanDerWaalsContact OG-N 3.14Å; S1013-S1015 PolarHBondContact OG-OG 2.82Å; S1015-L1017 PolarHBondContact O-N 2.71Å
1016	T	51.8	Low	72.1	Confident	101 Å²	101	65.1 Å²	65.1	62%	0.62	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-79	-4.8	179.7	44.2	0	0	0	0	113.1	S1013 L1014	S1013-T1016 PolarHBondContact O-N 2.71Å; S1013-T1016 PolarHBondContact O-OG1 2.89Å; L1014-T1016 PolarHBondContact O-N 3.44Å; L1014-T1016 VanDerWaalsContact O-N 3.17Å
1017	L	52.1	Low	72.3	Confident	31 Å²	31	62.4 Å²	62.4	16%	0.162	32%	0.318	C	S	.	.			trans	-137.7	78.3	-167.4	-66.4	163	0	0	0	111	W1012 L1014 S1015 T1019 L1022 P1023	W1012-L1017 HydrophobicContact CE3-CD1 3.81Å; W1012-L1017 HydrophobicContact CZ3-CD1 3.76Å; W1012-L1017 HydrophobicContact CZ3-CG 4.49Å; L1014-L1017 PolarHBondContact O-N 3.03Å; L1014-L1017 VanDerWaalsContact O-N 3.07Å; S1015-L1017 PolarHBondContact O-N 2.71Å; L1017-T1019 PolarHBondContact O-N 3.03Å; L1017-L1022 HydrophobicContact CB-CD2 4.33Å; L1017-L1022 HydrophobicContact CD1-CD2 3.85Å; L1017-P1023 HydrophobicContact CD1-CG 3.75Å; L1017-P1023 HydrophobicContact CD2-CG 4.07Å
1018	N	52.7	Low	72.1	Confident	92 Å²	92	66 Å²	66	49%	0.492	33%	0.332	S	S	.	.			trans	-75.4	50.8	166.1	-170.7	40.9	0	0	0	110.6	K997	K997-N1018 VanDerWaalsContact CE-CG 3.47Å
1019	T	56.9	Low	71.3	Confident	66 Å²	66	71 Å²	71	41%	0.405	37%	0.367	S	S	.	.	S	Bend	trans	-118.3	151.6	-174.8	44.5	0	0	0	0	109.8	L1017 Y1021	L1017-T1019 PolarHBondContact O-N 3.03Å; T1019-Y1021 WeakPolarHBondContact CB-O 3.24Å; T1019-Y1021 PolarHBondContact O-N 3.3Å; T1019-Y1021 PolarHBondContact OG1-O 2.8Å
1020	S	61.2	Low	70.2	Confident	64 Å²	64	72.2 Å²	72.2	45%	0.448	38%	0.383	S	S	.	.	S	Bend	trans	-64.1	-15.9	172.7	57.6	0	0	0	0	112.7	R995	R995-S1020 PolarHBondContact NH1-O 2.93Å
1021	Y	68.7	Low	69.4	Low	122 Å²	122	73 Å²	73	48%	0.478	39%	0.387	S	S	.	.	S	Bend	trans	-131.2	142.3	178.4	-62.7	-84	0	0	0	111.1	R813 T1019	R813-Y1021 VanDerWaalsContact CD-OH 3.26Å; R813-Y1021 WeakPolarHBondContact CD-OH 3.42Å; R813-Y1021 VanDerWaalsContact CZ-CZ 3.4Å; R813-Y1021 PolarHBondContact NE-OH 3.41Å; R813-Y1021 PolarHBondContact NH1-OH 3.17Å; T1019-Y1021 WeakPolarHBondContact CB-O 3.24Å; T1019-Y1021 PolarHBondContact O-N 3.3Å; T1019-Y1021 PolarHBondContact OG1-O 2.8Å
1022	L	79.6	Confident	68.9	Low	12 Å²	12	66.8 Å²	66.8	6%	0.063	36%	0.361	C	S	.	.			trans	-79.4	141.2	163.3	-60.7	172	0	0	0	108.9	E750 I1008 L1014 L1017 A1026 Y1027	E750-L1022 HydrophobicContact CG-CD1 4.07Å; I1008-L1022 HydrophobicContact CD1-CD1 4.09Å; I1008-L1022 HydrophobicContact CG1-CD1 4.24Å; L1014-L1022 HydrophobicContact CG-CD2 4.49Å; L1017-L1022 HydrophobicContact CB-CD2 4.33Å; L1017-L1022 HydrophobicContact CD1-CD2 3.85Å; L1022-A1026 HydrophobicContact CB-CB 4.18Å; L1022-Y1027 HydrophobicContact CB-CE2 3.85Å
1023	P	82.3	Confident	69.2	Low	39 Å²	39	65.3 Å²	65.3	25%	0.253	36%	0.361	S	S	.	.			trans	-67.4	152.4	175.2	32.9	-35.4	0	0	0	109.6	W1012 L1017 E1025 A1026 Y1027	W1012-P1023 HydrophobicContact CE3-CG 4.3Å; W1012-P1023 HydrophobicContact CH2-CG 3.68Å; W1012-P1023 HydrophobicContact CZ3-CG 3.51Å; L1017-P1023 HydrophobicContact CD1-CG 3.75Å; L1017-P1023 HydrophobicContact CD2-CG 4.07Å; P1023-E1025 WeakPolarHBondContact CB-OE2 3.21Å; P1023-E1025 PolarHBondContact O-N 3.26Å; P1023-A1026 HydrophobicContact CG-CB 4.2Å; P1023-A1026 VanDerWaalsContact O-CB 3.25Å; P1023-A1026 WeakPolarHBondContact O-CB 3.2Å; P1023-A1026 PolarHBondContact O-N 3.29Å; P1023-Y1027 WeakPolarHBondContact O-CD2 3.37Å
1024	I	82.3	Confident	69.2	Low	120 Å²	120	66.8 Å²	66.8	62%	0.615	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-61.4	-25.2	-172.2	-158.1	152.7	0	0	0	112.6	A1026 Y1027	I1024-A1026 VanDerWaalsContact C-N 3.26Å; I1024-A1026 PolarHBondContact O-N 3.31Å; I1024-Y1027 PolarHBondContact O-N 3.35Å
1025	E	84.3	Confident	69.6	Low	106 Å²	106	73.3 Å²	73.3	50%	0.495	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-69.7	-19.8	176.7	-59.5	78.5	-170.4	0	0	113.7	R1009 W1012 P1023 Y1027	R1009-E1025 WeakPolarHBondContact CD-O 3.36Å; R1009-E1025 PolarHBondContact NE-O 3Å; W1012-E1025 HydrophobicContact CH2-CB 4.33Å; W1012-E1025 HydrophobicContact CZ2-CB 3.62Å; W1012-E1025 PolarHBondContact NE1-O 2.83Å; P1023-E1025 WeakPolarHBondContact CB-OE2 3.21Å; P1023-E1025 PolarHBondContact O-N 3.26Å; E1025-Y1027 VanDerWaalsContact C-N 3.26Å; E1025-Y1027 PolarHBondContact O-N 3.45Å
1026	A	84.7	Confident	70.1	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.008	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-71.8	-22.6	176.5	0	0	0	0	0	112.3	R1009 W1012 L1022 P1023 I1024	R1009-A1026 WeakPolarHBondContact CG-O 3.46Å; R1009-A1026 PolarHBondContact N-O 2.89Å; W1012-A1026 HydrophobicContact CB-CB 4.39Å; W1012-A1026 HydrophobicContact CD2-CB 3.89Å; W1012-A1026 HydrophobicContact CE3-CB 3.97Å; W1012-A1026 HydrophobicContact CG-CB 4.1Å; L1022-A1026 HydrophobicContact CB-CB 4.18Å; P1023-A1026 HydrophobicContact CG-CB 4.2Å; P1023-A1026 VanDerWaalsContact O-CB 3.25Å; P1023-A1026 WeakPolarHBondContact O-CB 3.2Å; P1023-A1026 PolarHBondContact O-N 3.29Å; I1024-A1026 VanDerWaalsContact C-N 3.26Å; I1024-A1026 PolarHBondContact O-N 3.31Å
1027	Y	87.6	Confident	71.5	Confident	14 Å²	14	69.4 Å²	69.4	6%	0.055	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-87	144.4	-177.6	-61.5	-88.7	0	0	0	111.8	F751 F752 P753 V1007 R1009 L1022 P1023 I1024 E1025	F751-Y1027 WeakPolarHBondContact O-CE1 3.32Å; F752-Y1027 AromaticContact CD1-CD1 3.78Å; F752-Y1027 HydrophobicContact CD1-CD1 3.78Å; F752-Y1027 HydrophobicContact CD1-CG 4.22Å; F752-Y1027 HydrophobicContact CE1-CD1 4.26Å; P753-Y1027 HydrophobicContact CG-CD2 4.26Å; P753-Y1027 HydrophobicContact CG-CE2 3.94Å; V1007-Y1027 HydrophobicContact CG1-CD1 3.58Å; V1007-Y1027 HydrophobicContact CG1-CE1 3.85Å; V1007-Y1027 WeakPolarHBondContact O-CA 3.47Å; R1009-Y1027 VanDerWaalsContact CZ-O 3.32Å; R1009-Y1027 PolarHBondContact NE-O 3.24Å; R1009-Y1027 PolarHBondContact NH2-O 3.09Å; L1022-Y1027 HydrophobicContact CB-CE2 3.85Å; P1023-Y1027 WeakPolarHBondContact O-CD2 3.37Å; I1024-Y1027 PolarHBondContact O-N 3.35Å; E1025-Y1027 VanDerWaalsContact C-N 3.26Å; E1025-Y1027 PolarHBondContact O-N 3.45Å
1028	Y	84.4	Confident	72.8	Confident	74 Å²	74	75.8 Å²	75.8	29%	0.29	40%	0.398	S	S	.	.			trans	-58.5	141.9	166	-79.6	-68	0	0	0	110.3	F752 N1006 V1007 I1008 R1009 K1010 V1030	F752-Y1028 WeakPolarHBondContact CE1-O 3.31Å; N1006-Y1028 WeakPolarHBondContact O-CD2 3.14Å; V1007-Y1028 PolarHBondContact O-N 3.4Å; I1008-Y1028 WeakPolarHBondContact O-CE2 3.18Å; R1009-Y1028 HydrophobicContact CB-CE1 4.42Å; R1009-Y1028 HydrophobicContact CG-CD1 3.82Å; R1009-Y1028 HydrophobicContact CG-CD2 4.39Å; R1009-Y1028 HydrophobicContact CG-CE1 3.91Å; R1009-Y1028 HydrophobicContact CG-CE2 4.49Å; R1009-Y1028 HydrophobicContact CG-CG 4.06Å; K1010-Y1028 PolarHBondContact N-OH 3.22Å; Y1028-V1030 PolarHBondContact O-N 3.48Å
1029	S	71.1	Confident	74.5	Confident	108 Å²	108	72 Å²	72	76%	0.755	38%	0.38	S	S	*	.	S	Bend	trans	-80.8	-5.2	-178.5	-177.7	0	0	0	0	113.1
1030	V	63.3	Low	76.2	Confident	104 Å²	104	71.8 Å²	71.8	63%	0.63	38%	0.38	S	S	*	.			trans	-100.4	131.9	-163.2	-176.5	0	0	0	0	110.3	Y1028 S1032	Y1028-V1030 PolarHBondContact O-N 3.48Å; V1030-S1032 PolarHBondContact O-N 3.38Å
1031	K	63.9	Low	77.8	Confident	139 Å²	139	74.2 Å²	74.2	60%	0.604	39%	0.387	S	S	*	.			trans	-71.4	119.8	168.2	-64	176.4	170.1	-117.8	0	108.9	D732 C1033	D732-K1031 WeakPolarHBondContact OD2-CD 3.33Å; D732-K1031 IonicContact OD2-NZ 3.19Å; D732-K1031 PolarHBondContact OD2-NZ 3.1Å; K1031-C1033 VanDerWaalsContact C-N 3.27Å; K1031-C1033 PolarHBondContact O-N 3.23Å
1032	S	67.2	Low	79	Confident	29 Å²	29	73.3 Å²	73.3	20%	0.203	39%	0.39	C	S	.	.			trans	-92.6	45.1	179.9	57.1	0	0	0	0	111.9	F677 S729 T730 V1030 Y1034	F677-S1032 WeakPolarHBondContact CZ-OG 3.5Å; S729-S1032 WeakPolarHBondContact CB-O 3.46Å; T730-S1032 VanDerWaalsContact CG2-OG 3.23Å; T730-S1032 WeakPolarHBondContact CG2-OG 3.5Å; V1030-S1032 PolarHBondContact O-N 3.38Å; S1032-Y1034 PolarHBondContact O-N 3.41Å; S1032-Y1034 VanDerWaalsContact O-N 3.11Å
1033	C	77.5	Confident	79.5	Confident	45 Å²	45	78 Å²	78	30%	0.304	41%	0.414	S	S	.	.			trans	-72.4	109.1	168.6	-61.5	0	0	0	0	109.5	C733 K1031 I1035	C733-C1033 VanDerWaalsContact CA-SG 3.53Å; C733-C1033 HydrophobicContact CB-CB 3.87Å; C733-C1033 WeakPolarHBondContact CB-SG 3.48Å; C733-C1033 WeakPolarHBondContact SG-CA 3.1Å; C733-C1033 WeakPolarHBondContact SG-CB 3.37Å; C733-C1033 CovalentContact SG-SG 2.04Å; C733-C1033 PolarHBondContact SG-SG 2.86Å; K1031-C1033 VanDerWaalsContact C-N 3.27Å; K1031-C1033 PolarHBondContact O-N 3.23Å; C1033-I1035 VanDerWaalsContact C-N 3.26Å; C1033-I1035 HydrophobicContact CB-CG1 4.42Å; C1033-I1035 PolarHBondContact O-N 3.22Å
1034	Y	68.5	Low	79.7	Confident	66 Å²	66	78.1 Å²	78.1	26%	0.259	41%	0.413	S	S	.	.			trans	-68.9	86.8	171	-72	-85.3	0	0	0	109.7	T728 S1032 A1036	T728-Y1034 VanDerWaalsContact O-CD2 3.29Å; T728-Y1034 WeakPolarHBondContact O-CD2 3.22Å; T728-Y1034 WeakPolarHBondContact O-CE2 3.47Å; S1032-Y1034 PolarHBondContact O-N 3.41Å; S1032-Y1034 VanDerWaalsContact O-N 3.11Å; Y1034-A1036 PolarHBondContact O-N 2.94Å
1035	I	65.7	Low	79.8	Confident	146 Å²	146	78.2 Å²	78.2	75%	0.749	41%	0.414	S	S	*	.			trans	-84.2	102.8	168.5	-55.5	174.8	0	0	0	106.4	C1033	C1033-I1035 VanDerWaalsContact C-N 3.26Å; C1033-I1035 HydrophobicContact CB-CG1 4.42Å; C1033-I1035 PolarHBondContact O-N 3.22Å
1036	A	67.2	Low	79.9	Confident	10 Å²	10	74.5 Å²	74.5	8%	0.083	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-48.7	124.1	173.6	0	0	0	0	0	110.2	Y610 Y1034 K1038	Y610-A1036 HydrophobicContact CD1-CB 3.53Å; Y610-A1036 HydrophobicContact CD2-CB 3.81Å; Y610-A1036 HydrophobicContact CE1-CB 4.26Å; Y610-A1036 HydrophobicContact CE2-CB 4.47Å; Y610-A1036 HydrophobicContact CG-CB 3.29Å; Y1034-A1036 PolarHBondContact O-N 2.94Å; A1036-K1038 PolarHBondContact O-N 3Å; A1036-K1038 VanDerWaalsContact O-N 3.1Å
1037	P	79.9	Confident	80	Confident	69 Å²	69	81.6 Å²	81.6	45%	0.448	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-58.9	121.3	177.7	-20.2	30.1	0	0	0	108.9	G593 I594 A1039	G593-P1037 CarbonylContact C-O 3.46Å; G593-P1037 WeakPolarHBondContact CA-O 3.49Å; I594-P1037 PolarHBondContact N-O 2.99Å; P1037-A1039 PolarHBondContact O-N 3.38Å
1038	K	80.5	Confident	79.8	Confident	166 Å²	166	82 Å²	82	72%	0.722	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-60.3	123.1	-180	-73.4	-168.5	176	-179.4	0	109.4	H591 A1036	H591-K1038 WeakPolarHBondContact NE2-CE 3.49Å; A1036-K1038 PolarHBondContact O-N 3Å; A1036-K1038 VanDerWaalsContact O-N 3.1Å
1039	A	87.9	Confident	79.9	Confident	13 Å²	13	82 Å²	82	11%	0.107	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-64.3	143.9	172.5	0	0	0	0	0	109.8	V592 I594 P1037	V592-A1039 VanDerWaalsContact O-CB 3.23Å; V592-A1039 WeakPolarHBondContact O-CB 3.34Å; V592-A1039 PolarHBondContact O-N 3.13Å; I594-A1039 HydrophobicContact CD1-CB 3.58Å; I594-A1039 HydrophobicContact CG1-CB 3.93Å; P1037-A1039 PolarHBondContact O-N 3.38Å
1040	S	93.4	Very high	80.6	Confident	60 Å²	60	82 Å²	82	42%	0.42	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	137.8	163.9	58.6	0	0	0	0	109.5	I578 Y579	I578-S1040 CarbonylContact C-O 3.59Å; I578-S1040 WeakPolarHBondContact CA-O 3.45Å; I578-S1040 WeakPolarHBondContact CG1-OG 3.06Å; I578-S1040 WeakPolarHBondContact CG2-O 3.43Å; Y579-S1040 PolarHBondContact N-O 2.77Å
1041	I	93.8	Very high	81.7	Confident	116 Å²	116	79.8 Å²	79.8	60%	0.595	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.8	-175	-59.2	177.7	0	0	0	109	Y579 P581	Y579-I1041 HydrophobicContact CD1-CG1 4.49Å; Y579-I1041 WeakPolarHBondContact O-CA 2.85Å; P581-I1041 HydrophobicContact CG-CG2 3.79Å
1042	L	94.9	Very high	82.7	Confident	103 Å²	103	77.6 Å²	77.6	54%	0.539	41%	0.412	S	S	.	.			trans	-125.2	117.2	168.6	-173.2	71	0	0	0	109	I578 Y579 H580 D1044	I578-L1042 HydrophobicContact CG2-CB 3.75Å; Y579-L1042 PolarHBondContact O-N 3.14Å; H580-L1042 VanDerWaalsContact CA-O 3.3Å; H580-L1042 WeakPolarHBondContact CA-O 3.32Å; H580-L1042 PolarHBondContact ND1-O 3.37Å; L1042-D1044 PolarHBondContact O-N 2.83Å
1043	I	89.4	Confident	83.8	Confident	110 Å²	110	76.7 Å²	76.7	56%	0.564	41%	0.405	S	S	*	.			trans	-67.5	130.6	-175.1	-64.9	173.8	0	0	0	110.5	I583	I583-I1043 HydrophobicContact CD1-CG1 4.41Å; I583-I1043 HydrophobicContact CD1-CG2 3.92Å; I583-I1043 HydrophobicContact CG1-CG2 3.44Å; I583-I1043 VanDerWaalsContact CG1-CG2 3.44Å
1044	D	85.6	Confident	84.2	Confident	41 Å²	41	80 Å²	80	22%	0.219	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-115.2	119.3	173.3	-166.1	-18.6	0	0	0	110	H580 P581 Y582 Y634 L1042 G1046	H580-D1044 HydrophobicContact CB-CB 4.24Å; P581-D1044 PolarHBondContact O-N 3.21Å; Y582-D1044 HydrophobicContact CD1-CB 4.28Å; Y582-D1044 HydrophobicContact CE1-CB 4.28Å; Y634-D1044 HydrophobicContact CE1-CB 4.37Å; Y634-D1044 VanDerWaalsContact CE1-OD2 3.27Å; Y634-D1044 WeakPolarHBondContact CE1-OD2 3.3Å; Y634-D1044 PolarHBondContact OH-OD2 3.24Å; L1042-D1044 PolarHBondContact O-N 2.83Å; D1044-G1046 PolarHBondContact O-N 2.79Å; D1044-G1046 WeakPolarHBondContact OD1-CA 3.35Å; D1044-G1046 PolarHBondContact OD1-N 3.34Å
1045	N	84.1	Confident	85	Confident	122 Å²	122	79 Å²	79	65%	0.652	42%	0.417	S	S	*	.			trans	-85.7	3.5	177.2	-69.8	-27.6	0	0	0	112.9
1046	G	86.5	Confident	86	Confident	28 Å²	28	74.1 Å²	74.1	29%	0.289	39%	0.391	S	S	.	.	S	Bend	trans	-64.5	-177.1	174.4	0	0	0	0	0	113.6	Y582 D1044	Y582-G1046 WeakPolarHBondContact CD1-O 3.33Å; D1044-G1046 PolarHBondContact O-N 2.79Å; D1044-G1046 WeakPolarHBondContact OD1-CA 3.35Å; D1044-G1046 PolarHBondContact OD1-N 3.34Å
1047	K	86.8	Confident	86.9	Confident	151 Å²	151	80.5 Å²	80.5	66%	0.657	42%	0.424	S	S	*	.			trans	-114.8	143.9	174.3	-60.1	-172.6	170.5	-174.6	0	109	Y585	Y585-K1047 HydrophobicContact CE2-CB 4.01Å; Y585-K1047 HydrophobicContact CE2-CG 3.9Å; Y585-K1047 WeakPolarHBondContact OH-CD 3.37Å
1048	P	84.5	Confident	87.5	Confident	21 Å²	21	78.2 Å²	78.2	14%	0.136	41%	0.408	C	S	.	.			trans	-59.9	140.3	169.2	27.1	-32	0	0	0	108.9	Y582 Y585 E632	Y582-P1048 HydrophobicContact CD2-CB 4.02Å; Y582-P1048 HydrophobicContact CD2-CG 4.44Å; Y582-P1048 HydrophobicContact CE2-CB 3.89Å; Y585-P1048 HydrophobicContact CD1-CG 3.79Å; Y585-P1048 HydrophobicContact CD2-CG 4.12Å; Y585-P1048 HydrophobicContact CE1-CG 3.91Å; Y585-P1048 HydrophobicContact CE2-CG 4.24Å; Y585-P1048 HydrophobicContact CG-CG 3.9Å; E632-P1048 WeakPolarHBondContact OE2-CB 3.41Å; E632-P1048 WeakPolarHBondContact OE2-CG 3.34Å
1049	N	86.3	Confident	88	Confident	76 Å²	76	75 Å²	75	41%	0.406	40%	0.398	S	S	.	.			trans	-106.9	118.2	172.9	-179.3	1.5	0	0	0	107.4	S1051 F1052	N1049-S1051 PolarHBondContact ND2-OG 3.35Å; N1049-S1051 PolarHBondContact O-N 3.42Å; N1049-S1051 PolarHBondContact OD1-N 3.33Å; N1049-S1051 VanDerWaalsContact OD1-N 3.13Å; N1049-S1051 PolarHBondContact OD1-OG 3.08Å; N1049-F1052 HydrophobicContact CB-CD2 3.68Å; N1049-F1052 HydrophobicContact CB-CE2 3.59Å; N1049-F1052 HydrophobicContact CB-CG 4.26Å; N1049-F1052 HydrophobicContact CB-CZ 4.11Å; N1049-F1052 WeakPolarHBondContact O-CB 3.25Å; N1049-F1052 PolarHBondContact O-N 3.12Å
1050	E	85.9	Confident	88.2	Confident	107 Å²	107	77 Å²	77	50%	0.5	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-56.1	-25.7	-180	-70.1	-65.1	169.4	0	0	112.1	K659 F1052 Y1053	K659-E1050 IonicContact NZ-OE1 3.09Å; K659-E1050 PolarHBondContact NZ-OE1 3.42Å; K659-E1050 IonicContact NZ-OE2 3.07Å; K659-E1050 PolarHBondContact NZ-OE2 3.09Å; E1050-F1052 PolarHBondContact O-N 2.79Å; E1050-Y1053 PolarHBondContact O-N 3.02Å; E1050-Y1053 VanDerWaalsContact O-N 3.14Å
1051	S	85.6	Confident	88	Confident	58 Å²	58	74.6 Å²	74.6	41%	0.406	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-64.4	-12.2	175.7	80.6	0	0	0	0	114.3	N1049	N1049-S1051 PolarHBondContact ND2-OG 3.35Å; N1049-S1051 PolarHBondContact O-N 3.42Å; N1049-S1051 PolarHBondContact OD1-N 3.33Å; N1049-S1051 VanDerWaalsContact OD1-N 3.13Å; N1049-S1051 PolarHBondContact OD1-OG 3.08Å
1052	F	86.1	Confident	87.5	Confident	92 Å²	92	72 Å²	72	40%	0.404	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-83.3	-18.8	176.7	-62.3	-34.8	0	0	0	113.3	P657 N1049 E1050 H1054	P657-F1052 HydrophobicContact CB-CB 4.27Å; P657-F1052 HydrophobicContact CG-CB 4.03Å; P657-F1052 WeakPolarHBondContact CG-O 3.33Å; N1049-F1052 HydrophobicContact CB-CD2 3.68Å; N1049-F1052 HydrophobicContact CB-CE2 3.59Å; N1049-F1052 HydrophobicContact CB-CG 4.26Å; N1049-F1052 HydrophobicContact CB-CZ 4.11Å; N1049-F1052 WeakPolarHBondContact O-CB 3.25Å; N1049-F1052 PolarHBondContact O-N 3.12Å; E1050-F1052 PolarHBondContact O-N 2.79Å; F1052-H1054 PolarHBondContact O-N 3.35Å; F1052-H1054 VanDerWaalsContact O-N 3.09Å
1053	Y	89.9	Confident	86.7	Confident	11 Å²	11	70.7 Å²	70.7	4%	0.043	38%	0.375	C	S	.	.	S	Bend	trans	-87.6	45.8	176.5	-58.5	-76.1	0	0	0	111.7	Y533 D535 E632 P657 I658 K659 E1050	Y533-Y1053 HydrophobicContact CD2-CD1 4.04Å; Y533-Y1053 HydrophobicContact CG-CD1 4.46Å; D535-Y1053 HydrophobicContact CB-CD1 3.96Å; E632-Y1053 PolarHBondContact OE2-OH 3.42Å; P657-Y1053 HydrophobicContact CB-CD1 4.18Å; P657-Y1053 HydrophobicContact CB-CE1 3.67Å; P657-Y1053 HydrophobicContact CG-CD1 4.15Å; P657-Y1053 HydrophobicContact CG-CE1 4.14Å; I658-Y1053 PolarHBondContact O-OH 3.03Å; K659-Y1053 HydrophobicContact CB-CE1 3.67Å; K659-Y1053 HydrophobicContact CD-CE1 4.47Å; K659-Y1053 HydrophobicContact CD-CE2 4.19Å; E1050-Y1053 PolarHBondContact O-N 3.02Å; E1050-Y1053 VanDerWaalsContact O-N 3.14Å
1054	H	86.6	Confident	85.6	Confident	114 Å²	114	73.3 Å²	73.3	53%	0.528	39%	0.385	S	S	.	.	S	Bend	trans	-136.3	166.7	177.3	-72.7	-52.6	0	0	0	109.4	S532 Y533 F1052 Q1056	S532-H1054 PolarHBondContact OG-O 2.84Å; Y533-H1054 WeakPolarHBondContact CD1-O 3.18Å; F1052-H1054 PolarHBondContact O-N 3.35Å; F1052-H1054 VanDerWaalsContact O-N 3.09Å; H1054-Q1056 PolarHBondContact O-N 3.31Å
1055	P	84.5	Confident	84.4	Confident	45 Å²	45	75 Å²	75	29%	0.292	39%	0.394	S	S	.	.	S	Bend	trans	-46.7	133.3	170.8	-29	36.3	0	0	0	111.3	N1057	P1055-N1057 PolarHBondContact O-N 3.36Å; P1055-N1057 VanDerWaalsContact O-N 3.15Å
1056	Q	86.7	Confident	83.2	Confident	44 Å²	44	71.7 Å²	71.7	21%	0.206	37%	0.372	C	S	.	.			trans	-57.3	121.8	-174.9	-175.6	178.1	-13.9	0	0	110.7	S528 S532 H1054 L1058	S528-Q1056 VanDerWaalsContact CA-OE1 3.29Å; S532-Q1056 PolarHBondContact OG-N 2.89Å; S532-Q1056 VanDerWaalsContact OG-N 3.16Å; H1054-Q1056 PolarHBondContact O-N 3.31Å; Q1056-L1058 PolarHBondContact O-N 3.34Å; Q1056-L1058 VanDerWaalsContact O-N 3.11Å
1057	N	86.8	Confident	81.7	Confident	144 Å²	144	75.2 Å²	75.2	77%	0.77	39%	0.385	S	S	*	.			trans	-64.7	113.9	170.6	-74.5	-31.9	0	0	0	109.5	P1055	P1055-N1057 PolarHBondContact O-N 3.36Å; P1055-N1057 VanDerWaalsContact O-N 3.15Å
1058	L	92.8	Very high	79.9	Confident	20 Å²	20	71 Å²	71	11%	0.105	37%	0.372	C	S	.	.			trans	-70.7	144.4	176.4	-64.4	-177.5	0	0	0	110.4	Q472 A476 I519 M523 Q1056 L1060	Q472-L1058 HydrophobicContact CB-CD1 4.14Å; A476-L1058 HydrophobicContact CB-CD1 3.65Å; A476-L1058 HydrophobicContact CB-CG 3.79Å; I519-L1058 HydrophobicContact CG2-CD1 3.81Å; M523-L1058 HydrophobicContact SD-CD1 3.88Å; Q1056-L1058 PolarHBondContact O-N 3.34Å; Q1056-L1058 VanDerWaalsContact O-N 3.11Å; L1058-L1060 HydrophobicContact CB-CD2 4.24Å; L1058-L1060 WeakPolarHBondContact O-CG 3.19Å; L1058-L1060 PolarHBondContact O-N 3.38Å
1059	L	90.2	Very high	78.1	Confident	100 Å²	100	74.9 Å²	74.9	52%	0.524	40%	0.4	S	S	.	.			trans	-65.2	118.4	169.5	-62.5	172.7	0	0	0	109.8	K524 Q526	K524-L1059 HydrophobicContact CB-CB 4.2Å; K524-L1059 WeakPolarHBondContact CB-O 3.45Å; K524-L1059 HydrophobicContact CD-CB 4.44Å; K524-L1059 PolarHBondContact N-O 3.12Å; Q526-L1059 PolarHBondContact NE2-O 2.94Å; Q526-L1059 VanDerWaalsContact OE1-CB 3.27Å
1060	L	91.9	Very high	76.2	Confident	53 Å²	53	79 Å²	79	28%	0.277	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-116.4	149.2	179.7	-54.2	-177.1	0	0	0	111	I519 R522 M523 L1058	I519-L1060 HydrophobicContact CG1-CD1 4.46Å; I519-L1060 HydrophobicContact CG2-CD2 4.22Å; R522-L1060 HydrophobicContact CB-CB 4.08Å; R522-L1060 HydrophobicContact CB-CD2 4.45Å; R522-L1060 CarbonylContact O-C 3.54Å; R522-L1060 WeakPolarHBondContact O-CA 3.48Å; M523-L1060 HydrophobicContact CB-CD2 4.27Å; L1058-L1060 HydrophobicContact CB-CD2 4.24Å; L1058-L1060 WeakPolarHBondContact O-CG 3.19Å; L1058-L1060 PolarHBondContact O-N 3.38Å
1061	Y	88.7	Confident	74.2	Confident	10 Å²	10	78.2 Å²	78.2	4%	0.039	41%	0.411	C	S	.	.			trans	-65	143.8	165.1	-69	-76.7	0	0	0	110.3	Y460 P461 R522 K524	Y460-Y1061 PolarHBondContact O-OH 3.49Å; P461-Y1061 HydrophobicContact CB-CD1 3.84Å; P461-Y1061 HydrophobicContact CB-CD2 3.87Å; P461-Y1061 HydrophobicContact CB-CE1 4.24Å; P461-Y1061 HydrophobicContact CB-CE2 4.27Å; P461-Y1061 HydrophobicContact CB-CG 3.66Å; R522-Y1061 PolarHBondContact NE-O 3.28Å; R522-Y1061 PolarHBondContact NH2-O 2.91Å; R522-Y1061 VanDerWaalsContact O-CD2 3.3Å; R522-Y1061 WeakPolarHBondContact O-CD2 3.29Å; R522-Y1061 PolarHBondContact O-N 3.31Å; K524-Y1061 HydrophobicContact CB-CE2 4.36Å; K524-Y1061 HydrophobicContact CD-CD1 4.36Å; K524-Y1061 HydrophobicContact CD-CE1 4.19Å; K524-Y1061 HydrophobicContact CG-CD1 4.16Å; K524-Y1061 HydrophobicContact CG-CD2 3.79Å; K524-Y1061 HydrophobicContact CG-CE1 4Å; K524-Y1061 HydrophobicContact CG-CE2 3.6Å; K524-Y1061 HydrophobicContact CG-CG 4.06Å
1062	P	84.5	Confident	71.9	Confident	61 Å²	61	83.4 Å²	83.4	40%	0.396	43%	0.433	S	S	.	.			trans	-56.6	151.7	175.3	-23	30.7	0	0	0	113	E1064 L1065	P1062-E1064 VanDerWaalsContact C-N 3.26Å; P1062-E1064 WeakPolarHBondContact CB-OE2 3.14Å; P1062-E1064 PolarHBondContact O-N 2.79Å; P1062-L1065 HydrophobicContact CG-CD1 4.47Å
1063	V	76.9	Confident	69.7	Low	77 Å²	77	83.7 Å²	83.7	47%	0.467	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-70	-26.3	-178.2	-178.4	0	0	0	0	111.2	R522 L1065 Y1066	R522-V1063 VanDerWaalsContact CZ-CG2 3.44Å; V1063-L1065 VanDerWaalsContact C-N 3.27Å; V1063-L1065 PolarHBondContact O-N 3.17Å; V1063-Y1066 WeakPolarHBondContact O-CA 3.36Å; V1063-Y1066 VanDerWaalsContact O-CB 3.23Å; V1063-Y1066 WeakPolarHBondContact O-CB 3.31Å; V1063-Y1066 PolarHBondContact O-N 3.4Å
1064	E	66.2	Low	67.3	Low	165 Å²	165	86.4 Å²	86.4	77%	0.771	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-68.4	-26.2	-176.9	-56.8	78	-170.4	0	0	112.9	P1062 Y1066	P1062-E1064 VanDerWaalsContact C-N 3.26Å; P1062-E1064 WeakPolarHBondContact CB-OE2 3.14Å; P1062-E1064 PolarHBondContact O-N 2.79Å; E1064-Y1066 PolarHBondContact O-N 3.35Å
1065	L	62	Low	65.3	Low	77 Å²	77	86.2 Å²	86.2	40%	0.403	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-74.5	-12.5	172.4	-66.4	172.7	0	0	0	112	P461 P1062 V1063	P461-L1065 HydrophobicContact CG-CB 4.38Å; P1062-L1065 HydrophobicContact CG-CD1 4.47Å; V1063-L1065 VanDerWaalsContact C-N 3.27Å; V1063-L1065 PolarHBondContact O-N 3.17Å
1066	Y	58.5	Low	63.6	Low	51 Å²	51	87.8 Å²	87.8	20%	0.2	46%	0.46	C	S	.	.			trans	-96.1	124.3	175.9	-179.8	-104	0	0	0	109.5	V1063 E1064 P1068	V1063-Y1066 WeakPolarHBondContact O-CA 3.36Å; V1063-Y1066 VanDerWaalsContact O-CB 3.23Å; V1063-Y1066 WeakPolarHBondContact O-CB 3.31Å; V1063-Y1066 PolarHBondContact O-N 3.4Å; E1064-Y1066 PolarHBondContact O-N 3.35Å; Y1066-P1068 HydrophobicContact CD1-CB 4.28Å; Y1066-P1068 HydrophobicContact CD1-CG 4.21Å; Y1066-P1068 HydrophobicContact CE1-CB 3.8Å; Y1066-P1068 HydrophobicContact CE1-CG 4.21Å; Y1066-P1068 WeakPolarHBondContact O-CD 3.49Å
1067	N	54.5	Low	62.3	Low	103 Å²	103	89.3 Å²	89.3	55%	0.551	47%	0.465	S	S	*	.			trans	-105.5	89.2	179.6	-164.1	-17.3	0	0	0	110.8	S1069	N1067-S1069 VanDerWaalsContact C-N 3.29Å; N1067-S1069 PolarHBondContact O-N 3.08Å; N1067-S1069 PolarHBondContact OD1-N 3.02Å; N1067-S1069 PolarHBondContact OD1-OG 2.64Å
1068	P	49.4	Very low	61.6	Low	61 Å²	61	82.5 Å²	82.5	40%	0.396	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-71.8	-25.3	177	25.3	-30.3	0	0	0	112.5	Y1066 K1070 Q1071	Y1066-P1068 HydrophobicContact CD1-CB 4.28Å; Y1066-P1068 HydrophobicContact CD1-CG 4.21Å; Y1066-P1068 HydrophobicContact CE1-CB 3.8Å; Y1066-P1068 HydrophobicContact CE1-CG 4.21Å; Y1066-P1068 WeakPolarHBondContact O-CD 3.49Å; P1068-K1070 PolarHBondContact O-N 3.33Å; P1068-Q1071 PolarHBondContact O-N 3.24Å
1069	S	46	Very low	59.9	Low	104 Å²	104	82.8 Å²	82.8	73%	0.727	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-66.7	-3.1	-162.2	12.7	0	0	0	0	116.7	N1067	N1067-S1069 VanDerWaalsContact C-N 3.29Å; N1067-S1069 PolarHBondContact O-N 3.08Å; N1067-S1069 PolarHBondContact OD1-N 3.02Å; N1067-S1069 PolarHBondContact OD1-OG 2.64Å
1070	K	45.7	Very low	58.2	Low	161 Å²	161	79.7 Å²	79.7	70%	0.7	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-102.1	1.4	178.9	-81.8	-173.2	175.9	179.3	0	115.4	P1068	P1068-K1070 PolarHBondContact O-N 3.33Å
1071	Q	45.5	Very low	56	Low	91 Å²	91	82.5 Å²	82.5	43%	0.425	44%	0.44	S	S	.	.			trans	-97	99.8	179.2	-71.8	-175.4	-14.6	0	0	110.5	P1068 Y1073	P1068-Q1071 PolarHBondContact O-N 3.24Å; Q1071-Y1073 HydrophobicContact CB-CD1 4.17Å; Q1071-Y1073 HydrophobicContact CB-CD2 4.24Å; Q1071-Y1073 HydrophobicContact CB-CE1 3.59Å; Q1071-Y1073 HydrophobicContact CB-CE2 3.67Å; Q1071-Y1073 HydrophobicContact CB-CG 4.49Å; Q1071-Y1073 HydrophobicContact CG-CE1 4.39Å; Q1071-Y1073 WeakPolarHBondContact O-CD2 3.4Å; Q1071-Y1073 VanDerWaalsContact O-CE2 3.3Å; Q1071-Y1073 WeakPolarHBondContact O-CE2 3.47Å; Q1071-Y1073 PolarHBondContact O-N 2.65Å; Q1071-Y1073 VanDerWaalsContact OE1-CZ 3.23Å; Q1071-Y1073 PolarHBondContact OE1-OH 3.08Å
1072	L	37.6	Very low	53.6	Low	167 Å²	167	87.4 Å²	87.4	87%	0.874	47%	0.466	S	S	*	.			trans	-63.6	99.2	160.5	-104.1	91.1	0	0	0	107.5	T1074	L1072-T1074 PolarHBondContact O-N 3.21Å
1073	Y	39.9	Very low	51	Low	98 Å²	98	89.6 Å²	89.6	38%	0.384	48%	0.482	S	S	.	.			trans	-84.1	109.1	175.7	-57	-77.5	0	0	0	109.1	S177 R178 Q1071	S177-Y1073 VanDerWaalsContact O-CD1 3.29Å; S177-Y1073 WeakPolarHBondContact O-CD1 3.49Å; R178-Y1073 HydrophobicContact CB-CE1 4.03Å; R178-Y1073 HydrophobicContact CG-CE1 3.94Å; Q1071-Y1073 HydrophobicContact CB-CD1 4.17Å; Q1071-Y1073 HydrophobicContact CB-CD2 4.24Å; Q1071-Y1073 HydrophobicContact CB-CE1 3.59Å; Q1071-Y1073 HydrophobicContact CB-CE2 3.67Å; Q1071-Y1073 HydrophobicContact CB-CG 4.49Å; Q1071-Y1073 HydrophobicContact CG-CE1 4.39Å; Q1071-Y1073 WeakPolarHBondContact O-CD2 3.4Å; Q1071-Y1073 VanDerWaalsContact O-CE2 3.3Å; Q1071-Y1073 WeakPolarHBondContact O-CE2 3.47Å; Q1071-Y1073 PolarHBondContact O-N 2.65Å; Q1071-Y1073 VanDerWaalsContact OE1-CZ 3.23Å; Q1071-Y1073 PolarHBondContact OE1-OH 3.08Å
1074	T	39	Very low	48.9	Very low	68 Å²	68	91.2 Å²	91.2	42%	0.417	49%	0.487	S	S	.	.			trans	-93.7	136.3	158.1	82.3	0	0	0	0	108.9	L1072 H1076 Y1077	L1072-T1074 PolarHBondContact O-N 3.21Å; T1074-H1076 PolarHBondContact O-N 2.83Å; T1074-Y1077 HydrophobicContact CG2-CE2 4.4Å; T1074-Y1077 VanDerWaalsContact O-CD2 3.22Å; T1074-Y1077 WeakPolarHBondContact O-CD2 2.99Å; T1074-Y1077 WeakPolarHBondContact O-CE2 3.36Å; T1074-Y1077 WeakPolarHBondContact OG1-CE2 3.4Å; T1074-Y1077 PolarHBondContact OG1-OH 2.91Å
1075	T	43.2	Very low	46.9	Very low	111 Å²	111	90.5 Å²	90.5	68%	0.681	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	126.8	-175.6	44.1	0	0	0	0	110.7
1076	H	49.5	Very low	45.2	Very low	77 Å²	77	92.2 Å²	92.2	36%	0.356	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	33.7	169.6	-53.1	-35.4	0	0	0	120	T1074 C1078 H1079 S1080	T1074-H1076 PolarHBondContact O-N 2.83Å; H1076-C1078 PolarHBondContact O-N 3.24Å; H1076-H1079 PolarHBondContact O-N 2.98Å; H1076-S1080 PolarHBondContact O-N 2.79Å
1077	Y	59.6	Low	43.7	Very low	77 Å²	77	93.8 Å²	93.8	30%	0.302	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.8	176.8	-81.3	-67.6	0	0	0	116.6	R275 T1074 H1079 I1084	R275-Y1077 PolarHBondContact NH1-O 3.36Å; R275-Y1077 PolarHBondContact NH2-O 3.39Å; T1074-Y1077 HydrophobicContact CG2-CE2 4.4Å; T1074-Y1077 VanDerWaalsContact O-CD2 3.22Å; T1074-Y1077 WeakPolarHBondContact O-CD2 2.99Å; T1074-Y1077 WeakPolarHBondContact O-CE2 3.36Å; T1074-Y1077 WeakPolarHBondContact OG1-CE2 3.4Å; T1074-Y1077 PolarHBondContact OG1-OH 2.91Å; Y1077-H1079 PolarHBondContact O-N 2.93Å; Y1077-I1084 HydrophobicContact CE1-CD1 3.92Å
1078	C	71.8	Confident	42.3	Very low	0 Å²	0	95 Å²	95	0%	0	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.1	-177.9	-63.2	0	0	0	0	113	W176 C181 P274 R275 H1076	W176-C1078 VanDerWaalsContact CA-SG 3.58Å; W176-C1078 HydrophobicContact CB-CB 4.25Å; W176-C1078 HydrophobicContact CG-CB 4.3Å; C181-C1078 HydrophobicContact CB-CB 3.74Å; C181-C1078 WeakPolarHBondContact CB-SG 3.36Å; C181-C1078 WeakPolarHBondContact SG-CA 3.47Å; C181-C1078 WeakPolarHBondContact SG-CB 3.34Å; C181-C1078 CovalentContact SG-SG 2.02Å; C181-C1078 PolarHBondContact SG-SG 3.15Å; P274-C1078 HydrophobicContact CG-CB 4.33Å; R275-C1078 PolarHBondContact NE-O 3.16Å; R275-C1078 PolarHBondContact NH2-O 3.22Å; H1076-C1078 PolarHBondContact O-N 3.24Å
1079	H	58	Low	41.2	Very low	26 Å²	26	100.3 Å²	100.3	12%	0.12	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-7.1	-169	-47.4	-74.9	0	0	0	113.8	W176 W270 H1076 Y1077	W176-H1079 AromaticContact CD2-NE2 3.53Å; W176-H1079 AromaticContact CE3-NE2 3.52Å; W176-H1079 AromaticContact CG-NE2 3.94Å; W270-H1079 AromaticContact CD2-CE1 3.49Å; W270-H1079 VanDerWaalsContact CD2-CE1 3.49Å; W270-H1079 AromaticContact CD2-ND1 3.51Å; W270-H1079 AromaticContact CE2-ND1 3.82Å; W270-H1079 AromaticContact CE3-CD2 3.49Å; W270-H1079 VanDerWaalsContact CE3-CD2 3.49Å; W270-H1079 AromaticContact CE3-CE1 3.07Å; W270-H1079 AromaticContact CE3-CG 3.66Å; W270-H1079 AromaticContact CE3-ND1 3.42Å; W270-H1079 AromaticContact CE3-NE2 3.14Å; W270-H1079 HydrophobicContact CH2-CB 3.73Å; W270-H1079 AromaticContact CH2-CD2 3.48Å; W270-H1079 VanDerWaalsContact CH2-CD2 3.48Å; W270-H1079 WeakPolarHBondContact CH2-CD2 3.47Å; W270-H1079 AromaticContact CH2-CG 3.39Å; W270-H1079 AromaticContact CH2-ND1 3.94Å; W270-H1079 HydrophobicContact CZ2-CB 3.93Å; W270-H1079 AromaticContact CZ2-CG 3.78Å; W270-H1079 HydrophobicContact CZ3-CB 4.19Å; W270-H1079 AromaticContact CZ3-CD2 3.02Å; W270-H1079 WeakPolarHBondContact CZ3-CD2 3.33Å; W270-H1079 AromaticContact CZ3-CE1 3.54Å; W270-H1079 AromaticContact CZ3-CG 3.35Å; W270-H1079 AromaticContact CZ3-ND1 3.66Å; W270-H1079 AromaticContact CZ3-NE2 3.19Å; W270-H1079 WeakPolarHBondContact CZ3-NE2 3.34Å; H1076-H1079 PolarHBondContact O-N 2.98Å; Y1077-H1079 PolarHBondContact O-N 2.93Å
1080	S	53.2	Low	40.3	Very low	35 Å²	35	102.3 Å²	102.3	25%	0.245	55%	0.548	C	S	.	.			trans	-78.7	141.4	168.9	69.7	0	0	0	0	110.7	R275 H1076 I1082	R275-S1080 PolarHBondContact NH2-O 2.93Å; H1076-S1080 PolarHBondContact O-N 2.79Å; S1080-I1082 PolarHBondContact O-N 2.85Å
1081	S	47.2	Very low	39.3	Very low	113 Å²	113	101 Å²	101	79%	0.79	55%	0.548	S	S	*	.			trans	-77.8	0.4	172.9	39.6	0	0	0	0	113.1	S1083	S1081-S1083 PolarHBondContact O-N 3.11Å; S1081-S1083 VanDerWaalsContact O-N 3.1Å
1082	I	36.7	Very low	38.3	Very low	113 Å²	113	104.6 Å²	104.6	58%	0.579	56%	0.563	S	S	*	*			trans	-82.7	95.2	-175	-51.9	176.2	0	0	0	109.3	S1080 I1084	S1080-I1082 PolarHBondContact O-N 2.85Å; I1082-I1084 HydrophobicContact CB-CG1 4.44Å; I1082-I1084 HydrophobicContact CG2-CD1 4.05Å; I1082-I1084 HydrophobicContact CG2-CG1 3.49Å; I1082-I1084 VanDerWaalsContact CG2-CG1 3.49Å; I1082-I1084 PolarHBondContact O-N 3.11Å; I1082-I1084 VanDerWaalsContact O-N 3.17Å
1083	S	31.6	Very low	37.7	Very low	106 Å²	106	105.3 Å²	105.3	74%	0.741	56%	0.562	S	S	*	*			trans	-66.3	101.3	162.6	55.3	0	0	0	0	109.6	S1081	S1081-S1083 PolarHBondContact O-N 3.11Å; S1081-S1083 VanDerWaalsContact O-N 3.1Å
1084	I	31.3	Very low	37.1	Very low	111 Å²	111	106.2 Å²	106.2	57%	0.569	57%	0.572	S	S	*	*			trans	-90.6	7.4	176.6	-52	177.4	0	0	0	112.5	Y1077 I1082 P1086	Y1077-I1084 HydrophobicContact CE1-CD1 3.92Å; I1082-I1084 HydrophobicContact CB-CG1 4.44Å; I1082-I1084 HydrophobicContact CG2-CD1 4.05Å; I1082-I1084 HydrophobicContact CG2-CG1 3.49Å; I1082-I1084 VanDerWaalsContact CG2-CG1 3.49Å; I1082-I1084 PolarHBondContact O-N 3.11Å; I1082-I1084 VanDerWaalsContact O-N 3.17Å; I1084-P1086 VanDerWaalsContact O-CD 3.24Å; I1084-P1086 WeakPolarHBondContact O-CD 3.44Å
1085	L	25.6	Very low	36.7	Very low	151 Å²	151	109.9 Å²	109.9	79%	0.791	59%	0.587	S	S	*	*	S	Bend	trans	-80	117.7	156.7	-111.9	83.8	0	0	0	107.6	S1087	L1085-S1087 VanDerWaalsContact C-N 3.27Å; L1085-S1087 PolarHBondContact O-N 3.33Å
1086	P	24.8	Very low	35.9	Very low	113 Å²	113	114.5 Å²	114.5	73%	0.734	59%	0.592	S	S	*	*			trans	-57.6	106.2	161.8	-4.3	18.3	0	0	0	104.1	I1084 N1088	I1084-P1086 VanDerWaalsContact O-CD 3.24Å; I1084-P1086 WeakPolarHBondContact O-CD 3.44Å; P1086-N1088 PolarHBondContact O-N 3.41Å
1087	S	27.3	Very low	35.3	Very low	83 Å²	83	115.2 Å²	115.2	58%	0.58	60%	0.604	S	S	*	*			trans	-61.5	96.1	165.4	63.9	0	0	0	0	103.7	L1085 K1089	L1085-S1087 VanDerWaalsContact C-N 3.27Å; L1085-S1087 PolarHBondContact O-N 3.33Å; S1087-K1089 PolarHBondContact O-N 2.95Å
1088	N	25.3	Very low	34.1	Very low	130 Å²	130	119.1 Å²	119.1	70%	0.695	62%	0.622	S	S	*	*			trans	-69.3	70.6	169.8	-155.2	-2	0	0	0	105.3	P1086 N1090	P1086-N1088 PolarHBondContact O-N 3.41Å; N1088-N1090 PolarHBondContact O-N 2.84Å; N1088-N1090 VanDerWaalsContact O-N 3.07Å
1089	K	27.7	Very low	32.4	Very low	172 Å²	172	126.3 Å²	126.3	75%	0.748	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	0	179.7	-85.5	-176.9	177	-179.5	0	111.2	S1087	S1087-K1089 PolarHBondContact O-N 2.95Å
1090	N	26.9	Very low	31.5	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	9.7	-176	-74.6	-7.1	0	0	0	115.3	N1088	N1088-N1090 PolarHBondContact O-N 2.84Å; N1088-N1090 VanDerWaalsContact O-N 3.07Å
1091	L	24.2	Very low	30.7	Very low	133 Å²	133	135.6 Å²	135.6	70%	0.696	71%	0.707	S	S	*	*	S	Bend	trans	-114.5	3.1	174.3	-142.3	77.8	0	0	0	116.8
1092	F	25.2	Very low	30.4	Very low	168 Å²	168	136.5 Å²	136.5	74%	0.737	70%	0.698	S	S	*	*			trans	-134.5	57.9	171.9	-74.5	-74.3	0	0	0	111.9	I1094	F1092-I1094 HydrophobicContact CB-CD1 4.47Å; F1092-I1094 HydrophobicContact CB-CG1 4.15Å; F1092-I1094 HydrophobicContact CD1-CD1 3.71Å; F1092-I1094 HydrophobicContact CD1-CG1 3.63Å; F1092-I1094 HydrophobicContact CE1-CD1 4.41Å; F1092-I1094 HydrophobicContact CG-CD1 4.44Å; F1092-I1094 HydrophobicContact CG-CG1 4.36Å; F1092-I1094 PolarHBondContact O-N 3.19Å
1093	Q	24.3	Very low	30.8	Very low	182 Å²	182	134.7 Å²	134.7	85%	0.85	70%	0.695	S	S	*	*			trans	-66	75.5	141.1	-83.6	-175.3	-17.4	0	0	107.5	I1095	Q1093-I1095 PolarHBondContact O-N 2.69Å
1094	I	27.7	Very low	31.2	Very low	117 Å²	117	133.1 Å²	133.1	60%	0.6	68%	0.678	S	S	*	*			trans	-69.1	90.7	161	-62.7	176.5	0	0	0	104.6	F1092 R1096	F1092-I1094 HydrophobicContact CB-CD1 4.47Å; F1092-I1094 HydrophobicContact CB-CG1 4.15Å; F1092-I1094 HydrophobicContact CD1-CD1 3.71Å; F1092-I1094 HydrophobicContact CD1-CG1 3.63Å; F1092-I1094 HydrophobicContact CE1-CD1 4.41Å; F1092-I1094 HydrophobicContact CG-CD1 4.44Å; F1092-I1094 HydrophobicContact CG-CG1 4.36Å; F1092-I1094 PolarHBondContact O-N 3.19Å; I1094-R1096 VanDerWaalsContact C-N 3.32Å; I1094-R1096 PolarHBondContact O-N 3.5Å
1095	I	29.5	Very low	31.9	Very low	145 Å²	145	132.2 Å²	132.2	74%	0.744	68%	0.675	S	S	*	*			trans	-46.1	104.8	156.8	-65.3	169.3	0	0	0	105.1	Q1093 P1097	Q1093-I1095 PolarHBondContact O-N 2.69Å; I1095-P1097 WeakPolarHBondContact O-CD 3.43Å
1096	R	27.7	Very low	32.8	Very low	207 Å²	207	129.8 Å²	129.8	78%	0.781	66%	0.662	S	S	*	*			trans	-62.1	108.4	177.2	-71.6	175.1	170.7	176.6	-1.3	108.3	I1094 K1098	I1094-R1096 VanDerWaalsContact C-N 3.32Å; I1094-R1096 PolarHBondContact O-N 3.5Å; R1096-K1098 PolarHBondContact O-N 3.1Å
1097	P	35.9	Very low	33.7	Very low	93 Å²	93	132.1 Å²	132.1	60%	0.604	66%	0.661	S	S	*	*			trans	-94.4	63.5	163.3	21.1	3	0	0	0	105.8	I1095 L1099 L1100	I1095-P1097 WeakPolarHBondContact O-CD 3.43Å; P1097-L1099 PolarHBondContact O-N 3.47Å; P1097-L1100 PolarHBondContact O-N 3.5Å
1098	K	34.7	Very low	34.5	Very low	159 Å²	159	130.4 Å²	130.4	69%	0.691	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-14	176.1	-114.8	-174.2	178.5	-173.9	0	111.8	R1096	R1096-K1098 PolarHBondContact O-N 3.1Å
1099	L	36.5	Very low	35.6	Very low	150 Å²	150	130.2 Å²	130.2	79%	0.785	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-27.6	179.1	-104.1	82.1	0	0	0	114.8	P1097 S1103	P1097-L1099 PolarHBondContact O-N 3.47Å; L1099-S1103 PolarHBondContact O-OG 3.17Å
1100	L	37.6	Very low	36.1	Very low	121 Å²	121	128.5 Å²	128.5	63%	0.634	64%	0.638	S	S	*	*	H	α-helix	trans	-87.3	-31.5	-173.8	-149.2	80	0	0	0	113.4	P1097 Q1102 I1104	P1097-L1100 PolarHBondContact O-N 3.5Å; L1100-Q1102 VanDerWaalsContact C-N 3.32Å; L1100-Q1102 PolarHBondContact O-N 3.11Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.35Å; L1100-I1104 PolarHBondContact O-N 3.47Å
1101	L	36.7	Very low	36.9	Very low	136 Å²	136	126.5 Å²	126.5	71%	0.712	63%	0.627	S	S	*	*	H	α-helix	trans	-71.7	-29.1	-179.3	-152.8	76.6	0	0	0	112.3	N1105	L1101-N1105 PolarHBondContact O-N 3.3Å; L1101-N1105 VanDerWaalsContact O-N 3.14Å
1102	Q	41.9	Very low	37.9	Very low	131 Å²	131	123.8 Å²	123.8	61%	0.612	61%	0.613	S	S	*	*	H	α-helix	trans	-72.6	-43.8	177.7	-159.2	159.3	-8.7	0	0	110.8	L1100 I1104 N1105 D1106	L1100-Q1102 VanDerWaalsContact C-N 3.32Å; L1100-Q1102 PolarHBondContact O-N 3.11Å; Q1102-I1104 VanDerWaalsContact C-N 3.31Å; Q1102-I1104 PolarHBondContact O-N 3.33Å; Q1102-N1105 PolarHBondContact O-N 3.5Å; Q1102-N1105 VanDerWaalsContact O-N 3.15Å; Q1102-D1106 WeakPolarHBondContact O-CB 3.42Å; Q1102-D1106 VanDerWaalsContact O-CG 3.26Å; Q1102-D1106 PolarHBondContact O-N 3.37Å
1103	S	43.7	Very low	38.7	Very low	75 Å²	75	125.2 Å²	125.2	52%	0.524	62%	0.615	S	S	.	*	H	α-helix	trans	-61.3	-35.8	174.4	-56.3	0	0	0	0	113.3	L1099 F1107	L1099-S1103 PolarHBondContact O-OG 3.17Å; S1103-F1107 VanDerWaalsContact O-CB 3.29Å; S1103-F1107 WeakPolarHBondContact O-CB 3.44Å; S1103-F1107 PolarHBondContact O-N 3.27Å
1104	I	41.9	Very low	39.7	Very low	73 Å²	73	122.8 Å²	122.8	37%	0.374	61%	0.606	S	S	.	*	H	α-helix	trans	-70.7	-38.3	176.2	-66.6	169.9	0	0	0	111.2	L1100 Q1102 F1107 I1108	L1100-I1104 WeakPolarHBondContact O-CG1 3.35Å; L1100-I1104 PolarHBondContact O-N 3.47Å; Q1102-I1104 VanDerWaalsContact C-N 3.31Å; Q1102-I1104 PolarHBondContact O-N 3.33Å; I1104-F1107 PolarHBondContact O-N 3.12Å; I1104-I1108 HydrophobicContact CG2-CD1 3.68Å; I1104-I1108 HydrophobicContact CG2-CG1 4.36Å; I1104-I1108 WeakPolarHBondContact O-CB 3.14Å; I1104-I1108 WeakPolarHBondContact O-CG1 3.41Å; I1104-I1108 PolarHBondContact O-N 3.48Å
1105	N	44.3	Very low	40.5	Very low	93 Å²	93	121.3 Å²	121.3	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-70	-36.1	178.4	-129.9	8.3	0	0	0	111.7	L1101 Q1102 I1108 Q1109	L1101-N1105 PolarHBondContact O-N 3.3Å; L1101-N1105 VanDerWaalsContact O-N 3.14Å; Q1102-N1105 PolarHBondContact O-N 3.5Å; Q1102-N1105 VanDerWaalsContact O-N 3.15Å; N1105-I1108 PolarHBondContact O-N 3.31Å; N1105-Q1109 WeakPolarHBondContact O-CG 2.89Å; N1105-Q1109 PolarHBondContact O-N 3.19Å
1106	D	45.1	Very low	41.3	Very low	99 Å²	99	117.9 Å²	117.9	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-69	-39.3	175	-65.8	-18.1	0	0	0	110.7	Q1102 I1108 Q1109 L1110	Q1102-D1106 WeakPolarHBondContact O-CB 3.42Å; Q1102-D1106 VanDerWaalsContact O-CG 3.26Å; Q1102-D1106 PolarHBondContact O-N 3.37Å; D1106-I1108 PolarHBondContact O-N 3.47Å; D1106-Q1109 PolarHBondContact O-N 2.88Å; D1106-L1110 PolarHBondContact O-N 3.35Å
1107	F	43.3	Very low	42.1	Very low	163 Å²	163	117.8 Å²	117.8	72%	0.715	59%	0.588	S	S	*	*	H	α-helix	trans	-66.8	-35.9	174.6	-158.4	-93.2	0	0	0	112.6	S1103 I1104	S1103-F1107 VanDerWaalsContact O-CB 3.29Å; S1103-F1107 WeakPolarHBondContact O-CB 3.44Å; S1103-F1107 PolarHBondContact O-N 3.27Å; I1104-F1107 PolarHBondContact O-N 3.12Å
1108	I	44.6	Very low	42.7	Very low	47 Å²	47	117.2 Å²	117.2	24%	0.241	59%	0.586	C	S	.	*	H	α-helix	trans	-74.3	-26.2	177.1	-68.4	169.7	0	0	0	111.9	I1104 N1105 D1106	I1104-I1108 HydrophobicContact CG2-CD1 3.68Å; I1104-I1108 HydrophobicContact CG2-CG1 4.36Å; I1104-I1108 WeakPolarHBondContact O-CB 3.14Å; I1104-I1108 WeakPolarHBondContact O-CG1 3.41Å; I1104-I1108 PolarHBondContact O-N 3.48Å; N1105-I1108 PolarHBondContact O-N 3.31Å; D1106-I1108 PolarHBondContact O-N 3.47Å
1109	Q	47.9	Very low	43.4	Very low	125 Å²	125	115.2 Å²	115.2	58%	0.584	58%	0.579	S	S	*	*	H	α-helix	trans	-73.3	-31.7	175.3	-80.5	-73.8	-11.1	0	0	112.7	N1105 D1106	N1105-Q1109 WeakPolarHBondContact O-CG 2.89Å; N1105-Q1109 PolarHBondContact O-N 3.19Å; D1106-Q1109 PolarHBondContact O-N 2.88Å
1110	L	38.2	Very low	44.2	Very low	137 Å²	137	116.6 Å²	116.6	72%	0.717	58%	0.579	S	S	*	*	H	α-helix	trans	-84.6	-27.7	-161.6	-155.8	63.1	0	0	0	116.1	D1106	D1106-L1110 PolarHBondContact O-N 3.35Å
1111	D	44.8	Very low	44.6	Very low	102 Å²	102	119.5 Å²	119.5	55%	0.545	59%	0.587	S	S	.	*	S	Bend	trans	-120.2	-11.9	-170.7	-96.1	-23	0	0	0	117.8	T1115	D1111-T1115 PolarHBondContact O-OG1 3.08Å
1112	L	44.4	Very low	45.6	Very low	76 Å²	76	117.3 Å²	117.3	40%	0.398	58%	0.576	S	S	.	*	H	α-helix	trans	-78.6	-32.3	-177.7	-100.1	119.3	0	0	0	113.3	I1114 F1116 L1170	L1112-I1114 VanDerWaalsContact C-N 3.35Å; L1112-I1114 PolarHBondContact O-N 3.13Å; L1112-F1116 HydrophobicContact CD2-CE2 4.11Å; L1112-F1116 WeakPolarHBondContact O-CD2 3.24Å; L1112-F1116 PolarHBondContact O-N 3.02Å; L1112-L1170 HydrophobicContact CD2-CD2 3.77Å
1113	Y	42.7	Very low	46.5	Very low	199 Å²	199	112.6 Å²	112.6	78%	0.78	55%	0.553	S	S	*	*	H	α-helix	trans	-68.6	-34.1	-176.9	-165.2	-99.1	0	0	0	112.7
1114	I	44.6	Very low	47.3	Very low	130 Å²	130	114.4 Å²	114.4	67%	0.667	56%	0.556	S	S	*	*	H	α-helix	trans	-78.3	-36.9	-178	-61.3	176	0	0	0	111	L1112 F1116	L1112-I1114 VanDerWaalsContact C-N 3.35Å; L1112-I1114 PolarHBondContact O-N 3.13Å; I1114-F1116 VanDerWaalsContact C-N 3.28Å; I1114-F1116 PolarHBondContact O-N 2.84Å
1115	T	45.4	Very low	48.4	Very low	87 Å²	87	114.2 Å²	114.2	53%	0.534	56%	0.561	S	S	.	*	H	α-helix	trans	-71.3	-22.7	-177.8	-46.6	0	0	0	0	113.1	D1111 K1117	D1111-T1115 PolarHBondContact O-OG1 3.08Å; T1115-K1117 PolarHBondContact O-N 2.81Å
1116	F	45	Very low	49.3	Very low	72 Å²	72	113.8 Å²	113.8	32%	0.316	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-22.7	-177.5	-113.1	-89.4	0	0	0	114.5	L1112 I1114 F1123 L1170 L1173	L1112-F1116 HydrophobicContact CD2-CE2 4.11Å; L1112-F1116 WeakPolarHBondContact O-CD2 3.24Å; L1112-F1116 PolarHBondContact O-N 3.02Å; I1114-F1116 VanDerWaalsContact C-N 3.28Å; I1114-F1116 PolarHBondContact O-N 2.84Å; F1116-F1123 HydrophobicContact CE1-CD2 4.06Å; F1116-F1123 AromaticContact CE1-CE2 3.6Å; F1116-F1123 HydrophobicContact CE1-CE2 3.6Å; F1116-F1123 HydrophobicContact CE1-CZ 4.02Å; F1116-F1123 AromaticContact CE2-CE2 3.86Å; F1116-F1123 HydrophobicContact CE2-CE2 3.86Å; F1116-F1123 AromaticContact CZ-CD2 3.94Å; F1116-F1123 HydrophobicContact CZ-CD2 3.94Å; F1116-F1123 AromaticContact CZ-CE2 3.15Å; F1116-F1123 HydrophobicContact CZ-CE2 3.15Å; F1116-F1123 AromaticContact CZ-CZ 3.68Å; F1116-F1123 HydrophobicContact CZ-CZ 3.68Å; F1116-L1170 HydrophobicContact CE2-CD2 3.73Å; F1116-L1170 HydrophobicContact CZ-CD2 3.86Å; F1116-L1173 HydrophobicContact CE2-CD1 3.98Å; F1116-L1173 HydrophobicContact CZ-CB 4.03Å; F1116-L1173 HydrophobicContact CZ-CD1 4.08Å
1117	K	44.6	Very low	50.3	Low	206 Å²	206	111 Å²	111	90%	0.896	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-20.8	-173.6	-114.8	-179.6	179.8	178.9	0	114.7	T1115	T1115-K1117 PolarHBondContact O-N 2.81Å
1118	S	50	Low	51.4	Low	80 Å²	80	107.9 Å²	107.9	56%	0.559	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-20.8	-168.1	64.6	0	0	0	0	116.9
1119	H	48.8	Very low	52.6	Low	118 Å²	118	111.2 Å²	111.2	55%	0.546	55%	0.55	S	S	.	.			trans	-137.6	90.3	-173.8	-68.1	-74	0	0	0	114.6	F1121 N1122	H1119-F1121 PolarHBondContact O-N 2.94Å; H1119-N1122 HydrophobicContact CB-CB 4.12Å; H1119-N1122 PolarHBondContact O-N 2.81Å
1120	K	51.9	Low	53.5	Low	178 Å²	178	106.5 Å²	106.5	77%	0.774	53%	0.528	S	S	*	.	H	α-helix	trans	-55.7	-36.2	171.7	-82.1	-175.4	177.3	178.1	0	113.3
1121	F	47	Very low	54.8	Low	182 Å²	182	104.3 Å²	104.3	80%	0.798	52%	0.516	S	S	*	.	H	α-helix	trans	-75.1	-26.9	-173.3	-143.2	-95.3	0	0	0	112.9	H1119	H1119-F1121 PolarHBondContact O-N 2.94Å
1122	N	56.9	Low	55.9	Low	91 Å²	91	102.5 Å²	102.5	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-76.2	-23.5	177.8	-87.9	-18.8	0	0	0	113.1	H1119 C1125 I1126	H1119-N1122 HydrophobicContact CB-CB 4.12Å; H1119-N1122 PolarHBondContact O-N 2.81Å; N1122-C1125 PolarHBondContact O-N 3.09Å; N1122-I1126 HydrophobicContact CB-CD1 4.38Å; N1122-I1126 WeakPolarHBondContact O-CD1 3.44Å; N1122-I1126 VanDerWaalsContact O-CG1 3.23Å; N1122-I1126 WeakPolarHBondContact O-CG1 3.29Å; N1122-I1126 PolarHBondContact O-N 3.07Å
1123	F	60.8	Low	57	Low	31 Å²	31	101.6 Å²	101.6	14%	0.136	51%	0.506	C	S	.	.	H	α-helix	trans	-66.2	-46	-173.1	-169	-107.4	0	0	0	113.6	F1116 I1126 I1127 L1170 W1174	F1116-F1123 HydrophobicContact CE1-CD2 4.06Å; F1116-F1123 AromaticContact CE1-CE2 3.6Å; F1116-F1123 HydrophobicContact CE1-CE2 3.6Å; F1116-F1123 HydrophobicContact CE1-CZ 4.02Å; F1116-F1123 AromaticContact CE2-CE2 3.86Å; F1116-F1123 HydrophobicContact CE2-CE2 3.86Å; F1116-F1123 AromaticContact CZ-CD2 3.94Å; F1116-F1123 HydrophobicContact CZ-CD2 3.94Å; F1116-F1123 AromaticContact CZ-CE2 3.15Å; F1116-F1123 HydrophobicContact CZ-CE2 3.15Å; F1116-F1123 AromaticContact CZ-CZ 3.68Å; F1116-F1123 HydrophobicContact CZ-CZ 3.68Å; F1123-I1126 PolarHBondContact O-N 2.61Å; F1123-I1127 HydrophobicContact CD1-CD1 3.89Å; F1123-I1127 HydrophobicContact CE1-CD1 3.31Å; F1123-I1127 HydrophobicContact CE1-CG1 4.32Å; F1123-I1127 HydrophobicContact CE2-CD1 4.49Å; F1123-I1127 HydrophobicContact CZ-CD1 3.68Å; F1123-I1127 HydrophobicContact CZ-CG1 4.41Å; F1123-I1127 PolarHBondContact O-N 3.31Å; F1123-L1170 HydrophobicContact CE2-CB 4.47Å; F1123-L1170 HydrophobicContact CE2-CD2 3.69Å; F1123-L1170 HydrophobicContact CE2-CG 4.44Å; F1123-L1170 HydrophobicContact CZ-CB 4.1Å; F1123-L1170 HydrophobicContact CZ-CD2 4.12Å; F1123-W1174 HydrophobicContact CE1-CB 4.1Å; F1123-W1174 AromaticContact CE1-CD1 3.74Å; F1123-W1174 HydrophobicContact CE1-CG 4.12Å; F1123-W1174 HydrophobicContact CZ-CB 4.37Å
1124	I	62.2	Low	57.9	Low	113 Å²	113	92.9 Å²	92.9	58%	0.579	47%	0.474	S	S	*	.	H	α-helix	trans	-65.6	-41.9	178.7	-69.5	168.6	0	0	0	110.1	I1126 I1127 I1128	I1124-I1126 PolarHBondContact O-N 2.97Å; I1124-I1127 PolarHBondContact O-N 3.49Å; I1124-I1128 HydrophobicContact CG2-CD1 3.74Å; I1124-I1128 HydrophobicContact CG2-CG1 4.4Å; I1124-I1128 VanDerWaalsContact O-CG1 3.31Å; I1124-I1128 WeakPolarHBondContact O-CG1 3.41Å; I1124-I1128 PolarHBondContact O-N 2.73Å
1125	C	63.3	Low	58.8	Low	70 Å²	70	93 Å²	93	47%	0.473	47%	0.467	S	S	.	.	H	α-helix	trans	-60.6	-42.7	175.3	-74.3	0	0	0	0	112.4	N1122 I1128 L1129	N1122-C1125 PolarHBondContact O-N 3.09Å; C1125-I1128 PolarHBondContact O-N 2.69Å; C1125-L1129 WeakPolarHBondContact O-CB 3.28Å; C1125-L1129 PolarHBondContact O-N 3.1Å
1126	I	65	Low	59.7	Low	83 Å²	83	95 Å²	95	43%	0.426	47%	0.469	S	S	.	.	H	α-helix	trans	-62.8	-44	177.2	-71.1	163.8	0	0	0	110.9	N1122 F1123 I1124 L1129 L1130 L1170	N1122-I1126 HydrophobicContact CB-CD1 4.38Å; N1122-I1126 WeakPolarHBondContact O-CD1 3.44Å; N1122-I1126 VanDerWaalsContact O-CG1 3.23Å; N1122-I1126 WeakPolarHBondContact O-CG1 3.29Å; N1122-I1126 PolarHBondContact O-N 3.07Å; F1123-I1126 PolarHBondContact O-N 2.61Å; I1124-I1126 PolarHBondContact O-N 2.97Å; I1126-L1129 PolarHBondContact O-N 3.06Å; I1126-L1130 HydrophobicContact CG2-CD1 3.73Å; I1126-L1130 HydrophobicContact CG2-CG 4.33Å; I1126-L1130 WeakPolarHBondContact O-CB 3.42Å; I1126-L1130 WeakPolarHBondContact O-CD1 3.49Å; I1126-L1130 WeakPolarHBondContact O-CG 3.41Å; I1126-L1130 PolarHBondContact O-N 3.43Å; I1126-L1170 HydrophobicContact CG2-CD1 4.5Å
1127	I	65.4	Low	60.5	Low	42 Å²	42	91.8 Å²	91.8	22%	0.215	46%	0.455	C	S	.	.	H	α-helix	trans	-62.4	-46.3	177.1	-73	177.8	0	0	0	111	F1123 I1124 L1129 L1130 I1131 L1167 L1170	F1123-I1127 HydrophobicContact CD1-CD1 3.89Å; F1123-I1127 HydrophobicContact CE1-CD1 3.31Å; F1123-I1127 HydrophobicContact CE1-CG1 4.32Å; F1123-I1127 HydrophobicContact CE2-CD1 4.49Å; F1123-I1127 HydrophobicContact CZ-CD1 3.68Å; F1123-I1127 HydrophobicContact CZ-CG1 4.41Å; F1123-I1127 PolarHBondContact O-N 3.31Å; I1124-I1127 PolarHBondContact O-N 3.49Å; I1127-L1129 VanDerWaalsContact C-N 3.34Å; I1127-L1129 PolarHBondContact O-N 3.37Å; I1127-L1130 PolarHBondContact O-N 3.3Å; I1127-I1131 HydrophobicContact CG2-CD1 3.76Å; I1127-I1131 HydrophobicContact CG2-CG1 4.46Å; I1127-I1131 VanDerWaalsContact O-CG1 3.28Å; I1127-I1131 WeakPolarHBondContact O-CG1 3.39Å; I1127-I1131 PolarHBondContact O-N 2.67Å; I1127-L1167 HydrophobicContact CG2-CD2 4.08Å; I1127-L1170 HydrophobicContact CG1-CD1 4.22Å
1128	I	66.8	Low	61	Low	96 Å²	96	87 Å²	87	49%	0.492	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-45.2	178.4	-67.8	169.8	0	0	0	110.2	I1124 C1125 L1130 I1131 V1132	I1124-I1128 HydrophobicContact CG2-CD1 3.74Å; I1124-I1128 HydrophobicContact CG2-CG1 4.4Å; I1124-I1128 VanDerWaalsContact O-CG1 3.31Å; I1124-I1128 WeakPolarHBondContact O-CG1 3.41Å; I1124-I1128 PolarHBondContact O-N 2.73Å; C1125-I1128 PolarHBondContact O-N 2.69Å; I1128-L1130 PolarHBondContact O-N 3.28Å; I1128-I1131 PolarHBondContact O-N 3.19Å; I1128-V1132 HydrophobicContact CG2-CG2 4.41Å; I1128-V1132 VanDerWaalsContact O-CG2 3.3Å; I1128-V1132 WeakPolarHBondContact O-CG2 3.43Å; I1128-V1132 PolarHBondContact O-N 3.44Å
1129	L	68.3	Low	61.2	Low	118 Å²	118	89.8 Å²	89.8	62%	0.618	43%	0.432	S	S	*	.	H	α-helix	trans	-60	-45.7	177.4	-164.6	80.8	0	0	0	111.4	C1125 I1126 I1127 I1131 V1132 V1133	C1125-L1129 WeakPolarHBondContact O-CB 3.28Å; C1125-L1129 PolarHBondContact O-N 3.1Å; I1126-L1129 PolarHBondContact O-N 3.06Å; I1127-L1129 VanDerWaalsContact C-N 3.34Å; I1127-L1129 PolarHBondContact O-N 3.37Å; L1129-I1131 VanDerWaalsContact C-N 3.33Å; L1129-I1131 PolarHBondContact O-N 3.49Å; L1129-V1132 PolarHBondContact O-N 3.37Å; L1129-V1133 VanDerWaalsContact O-CG2 3.3Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.27Å; L1129-V1133 PolarHBondContact O-N 3.47Å
1130	L	66.9	Low	61.5	Low	25 Å²	25	85 Å²	85	13%	0.131	42%	0.416	C	S	.	.	H	α-helix	trans	-61.7	-39.1	177.3	-73.8	165.2	0	0	0	112.2	I1126 I1127 I1128 C1134 L1163 I1166 L1167 L1170	I1126-L1130 HydrophobicContact CG2-CD1 3.73Å; I1126-L1130 HydrophobicContact CG2-CG 4.33Å; I1126-L1130 WeakPolarHBondContact O-CB 3.42Å; I1126-L1130 WeakPolarHBondContact O-CD1 3.49Å; I1126-L1130 WeakPolarHBondContact O-CG 3.41Å; I1126-L1130 PolarHBondContact O-N 3.43Å; I1127-L1130 PolarHBondContact O-N 3.3Å; I1128-L1130 PolarHBondContact O-N 3.28Å; L1130-C1134 WeakPolarHBondContact O-CB 3.47Å; L1130-C1134 PolarHBondContact O-N 2.99Å; L1130-L1163 HydrophobicContact CD2-CD2 3.13Å; L1130-L1163 HydrophobicContact CG-CD2 4.44Å; L1130-I1166 HydrophobicContact CD1-CG2 4.01Å; L1130-L1167 HydrophobicContact CB-CD1 4.22Å; L1130-L1167 HydrophobicContact CB-CD2 4.04Å; L1130-L1167 HydrophobicContact CB-CG 4.07Å; L1130-L1167 HydrophobicContact CD1-CD2 4.46Å; L1130-L1170 HydrophobicContact CD1-CD1 3.66Å
1131	I	66	Low	61.6	Low	91 Å²	91	79.4 Å²	79.4	47%	0.467	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-44.2	175.2	-69.1	167.5	0	0	0	110.3	I1127 I1128 L1129 C1134 Y1135 L1167	I1127-I1131 HydrophobicContact CG2-CD1 3.76Å; I1127-I1131 HydrophobicContact CG2-CG1 4.46Å; I1127-I1131 VanDerWaalsContact O-CG1 3.28Å; I1127-I1131 WeakPolarHBondContact O-CG1 3.39Å; I1127-I1131 PolarHBondContact O-N 2.67Å; I1128-I1131 PolarHBondContact O-N 3.19Å; L1129-I1131 VanDerWaalsContact C-N 3.33Å; L1129-I1131 PolarHBondContact O-N 3.49Å; I1131-C1134 WeakPolarHBondContact O-CB 3.46Å; I1131-C1134 PolarHBondContact O-N 3.07Å; I1131-Y1135 WeakPolarHBondContact O-CB 3.49Å; I1131-Y1135 PolarHBondContact O-N 3.17Å; I1131-L1167 HydrophobicContact CG1-CD1 4.2Å; I1131-L1167 HydrophobicContact CG1-CD2 3.98Å
1132	V	67.3	Low	61.8	Low	65 Å²	65	77.6 Å²	77.6	39%	0.394	39%	0.389	S	S	.	.	H	α-helix	trans	-62	-45.2	177	171.5	0	0	0	0	110.8	I1128 L1129 Y1135 F1136	I1128-V1132 HydrophobicContact CG2-CG2 4.41Å; I1128-V1132 VanDerWaalsContact O-CG2 3.3Å; I1128-V1132 WeakPolarHBondContact O-CG2 3.43Å; I1128-V1132 PolarHBondContact O-N 3.44Å; L1129-V1132 PolarHBondContact O-N 3.37Å; V1132-Y1135 WeakPolarHBondContact O-CB 3.32Å; V1132-Y1135 PolarHBondContact O-N 3.36Å; V1132-F1136 HydrophobicContact CG1-CD2 3.8Å; V1132-F1136 HydrophobicContact CG1-CE2 3.9Å; V1132-F1136 WeakPolarHBondContact O-CD2 3.44Å; V1132-F1136 PolarHBondContact O-N 3.42Å
1133	V	68.4	Low	61.5	Low	57 Å²	57	81.6 Å²	81.6	35%	0.345	40%	0.403	S	S	.	.	H	α-helix	trans	-64.8	-42.2	176.9	179.2	0	0	0	0	110.9	L1129 Y1135 F1136 C1137 L1163	L1129-V1133 VanDerWaalsContact O-CG2 3.3Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.27Å; L1129-V1133 PolarHBondContact O-N 3.47Å; V1133-Y1135 VanDerWaalsContact C-N 3.26Å; V1133-Y1135 PolarHBondContact O-N 2.89Å; V1133-F1136 PolarHBondContact O-N 2.78Å; V1133-C1137 WeakPolarHBondContact O-CB 3.47Å; V1133-C1137 PolarHBondContact O-N 3.02Å; V1133-C1137 PolarHBondContact O-SG 3.36Å; V1133-L1163 HydrophobicContact CB-CD1 4.09Å; V1133-L1163 HydrophobicContact CG1-CD1 3.52Å
1134	C	62.4	Low	60.9	Low	16 Å²	16	82.2 Å²	82.2	11%	0.108	41%	0.41	C	S	.	.	H	α-helix	trans	-57.1	-41.7	172.8	-95.6	0	0	0	0	112	L1130 I1131 C1137 K1138 L1163	L1130-C1134 WeakPolarHBondContact O-CB 3.47Å; L1130-C1134 PolarHBondContact O-N 2.99Å; I1131-C1134 WeakPolarHBondContact O-CB 3.46Å; I1131-C1134 PolarHBondContact O-N 3.07Å; C1134-C1137 PolarHBondContact O-N 2.94Å; C1134-K1138 PolarHBondContact O-N 3.32Å; C1134-L1163 WeakPolarHBondContact SG-CB 3.36Å
1135	Y	62.7	Low	59.7	Low	131 Å²	131	79.6 Å²	79.6	51%	0.514	41%	0.411	S	S	.	.	H	α-helix	trans	-65.9	-45.5	177.8	-176.9	-92.9	0	0	0	111.5	I1131 V1132 V1133 C1137 K1138 R1139	I1131-Y1135 WeakPolarHBondContact O-CB 3.49Å; I1131-Y1135 PolarHBondContact O-N 3.17Å; V1132-Y1135 WeakPolarHBondContact O-CB 3.32Å; V1132-Y1135 PolarHBondContact O-N 3.36Å; V1133-Y1135 VanDerWaalsContact C-N 3.26Å; V1133-Y1135 PolarHBondContact O-N 2.89Å; Y1135-C1137 PolarHBondContact O-N 3.24Å; Y1135-K1138 WeakPolarHBondContact O-CB 3.46Å; Y1135-K1138 PolarHBondContact O-N 3.21Å; Y1135-R1139 PolarHBondContact O-N 2.86Å
1136	F	63.1	Low	58.7	Low	131 Å²	131	83.1 Å²	83.1	58%	0.575	43%	0.425	S	S	*	.	H	α-helix	trans	-63.5	-38.6	174.5	-90	-78.5	0	0	0	112.6	V1132 V1133 K1138 R1139 G1140	V1132-F1136 HydrophobicContact CG1-CD2 3.8Å; V1132-F1136 HydrophobicContact CG1-CE2 3.9Å; V1132-F1136 WeakPolarHBondContact O-CD2 3.44Å; V1132-F1136 PolarHBondContact O-N 3.42Å; V1133-F1136 PolarHBondContact O-N 2.78Å; F1136-K1138 VanDerWaalsContact C-N 3.33Å; F1136-K1138 PolarHBondContact O-N 3.49Å; F1136-R1139 PolarHBondContact O-N 3.41Å; F1136-G1140 PolarHBondContact O-N 2.92Å
1137	C	62.2	Low	57.9	Low	4 Å²	4	84.8 Å²	84.8	3%	0.027	45%	0.445	C	S	.	.	H	α-helix	trans	-62.1	-42.1	173.8	-66.1	0	0	0	0	111.1	V1133 C1134 Y1135 R1139 G1140 I1141 F1156 R1160	V1133-C1137 WeakPolarHBondContact O-CB 3.47Å; V1133-C1137 PolarHBondContact O-N 3.02Å; V1133-C1137 PolarHBondContact O-SG 3.36Å; C1134-C1137 PolarHBondContact O-N 2.94Å; Y1135-C1137 PolarHBondContact O-N 3.24Å; C1137-R1139 VanDerWaalsContact C-N 3.34Å; C1137-R1139 PolarHBondContact O-N 2.85Å; C1137-G1140 PolarHBondContact O-N 2.92Å; C1137-I1141 WeakPolarHBondContact O-CD1 3.38Å; C1137-I1141 WeakPolarHBondContact O-CG1 3.3Å; C1137-I1141 PolarHBondContact O-N 3.24Å; C1137-F1156 HydrophobicContact CB-CD1 4.09Å; C1137-R1160 HydrophobicContact CB-CB 4.1Å
1138	K	54.9	Low	56.8	Low	105 Å²	105	89.1 Å²	89.1	46%	0.457	47%	0.473	S	S	.	.	H	α-helix	trans	-61.2	-42.5	173.6	-177	-179.8	177.6	-174	0	111.6	C1134 Y1135 F1136 I1141 M1142	C1134-K1138 PolarHBondContact O-N 3.32Å; Y1135-K1138 WeakPolarHBondContact O-CB 3.46Å; Y1135-K1138 PolarHBondContact O-N 3.21Å; F1136-K1138 VanDerWaalsContact C-N 3.33Å; F1136-K1138 PolarHBondContact O-N 3.49Å; K1138-I1141 PolarHBondContact O-N 2.97Å; K1138-M1142 PolarHBondContact O-N 3.48Å
1139	R	54.7	Low	55.7	Low	138 Å²	138	88.3 Å²	88.3	52%	0.521	47%	0.469	S	S	.	.	H	α-helix	trans	-70.3	-37.5	-180	-134.2	-177.3	-176.1	-172.3	1.1	112.4	Y1135 F1136 C1137 I1141 M1142 F1143	Y1135-R1139 PolarHBondContact O-N 2.86Å; F1136-R1139 PolarHBondContact O-N 3.41Å; C1137-R1139 VanDerWaalsContact C-N 3.34Å; C1137-R1139 PolarHBondContact O-N 2.85Å; R1139-I1141 VanDerWaalsContact C-N 3.35Å; R1139-M1142 PolarHBondContact O-N 3.44Å; R1139-M1142 VanDerWaalsContact O-N 3.13Å; R1139-F1143 PolarHBondContact O-N 3.42Å; R1139-F1143 VanDerWaalsContact O-N 3.11Å
1140	G	56	Low	54.6	Low	19 Å²	19	91.9 Å²	91.9	20%	0.196	48%	0.476	C	S	.	.	H	α-helix	trans	-61.7	-41.3	172.8	0	0	0	0	0	112	F1136 C1137 M1142 F1143 C1144	F1136-G1140 PolarHBondContact O-N 2.92Å; C1137-G1140 PolarHBondContact O-N 2.92Å; G1140-M1142 PolarHBondContact O-N 2.9Å; G1140-F1143 PolarHBondContact O-N 3.46Å; G1140-C1144 PolarHBondContact O-N 2.93Å; G1140-C1144 PolarHBondContact O-SG 3.24Å
1141	I	53.4	Low	53.8	Low	60 Å²	60	95.8 Å²	95.8	31%	0.308	50%	0.5	S	S	.	.	H	α-helix	trans	-59.6	-36.2	173.1	-67.1	160.6	0	0	0	111.3	C1137 K1138 R1139 F1156	C1137-I1141 WeakPolarHBondContact O-CD1 3.38Å; C1137-I1141 WeakPolarHBondContact O-CG1 3.3Å; C1137-I1141 PolarHBondContact O-N 3.24Å; K1138-I1141 PolarHBondContact O-N 2.97Å; R1139-I1141 VanDerWaalsContact C-N 3.35Å; I1141-F1156 HydrophobicContact CD1-CB 4.4Å; I1141-F1156 HydrophobicContact CG1-CB 3.95Å
1142	M	51.8	Low	53.2	Low	144 Å²	144	93.9 Å²	93.9	71%	0.709	49%	0.493	S	S	*	.	H	α-helix	trans	-76.3	-29.9	-180	-71.3	-177.2	67.4	0	0	114.3	K1138 R1139 G1140	K1138-M1142 PolarHBondContact O-N 3.48Å; R1139-M1142 PolarHBondContact O-N 3.44Å; R1139-M1142 VanDerWaalsContact O-N 3.13Å; G1140-M1142 PolarHBondContact O-N 2.9Å
1143	F	50	Low	52.7	Low	175 Å²	175	91.6 Å²	91.6	77%	0.768	48%	0.483	S	S	*	.	H	α-helix	trans	-86.6	-8.6	-178.8	-103.9	-84	0	0	0	114.1	R1139 G1140 G1145	R1139-F1143 PolarHBondContact O-N 3.42Å; R1139-F1143 VanDerWaalsContact O-N 3.11Å; G1140-F1143 PolarHBondContact O-N 3.46Å; F1143-G1145 VanDerWaalsContact C-N 3.27Å; F1143-G1145 PolarHBondContact O-N 2.91Å
1144	C	47.1	Very low	52	Low	43 Å²	43	96.4 Å²	96.4	29%	0.291	50%	0.495	S	S	.	.			trans	-85.7	68.4	178	-64	0	0	0	0	110.8	G1140 L1149	G1140-C1144 PolarHBondContact O-N 2.93Å; G1140-C1144 PolarHBondContact O-SG 3.24Å; C1144-L1149 HydrophobicContact CB-CB 4.02Å; C1144-L1149 HydrophobicContact CB-CD2 4.45Å; C1144-L1149 WeakPolarHBondContact SG-CD2 3.29Å
1145	G	37.4	Very low	52	Low	59 Å²	59	99.8 Å²	99.8	61%	0.608	51%	0.511	S	S	*	.			trans	-81.6	135.2	162.1	0	0	0	0	0	109.9	F1143	F1143-G1145 VanDerWaalsContact C-N 3.27Å; F1143-G1145 PolarHBondContact O-N 2.91Å
1146	D	43	Very low	52.1	Low	143 Å²	143	96.9 Å²	96.9	77%	0.765	50%	0.501	S	S	*	.	S	Bend	trans	77.3	110	172.6	-57.8	-31.4	0	0	0	119.1	V1148	D1146-V1148 VanDerWaalsContact C-N 3.29Å; D1146-V1148 PolarHBondContact O-N 3.44Å
1147	S	47.2	Very low	51.9	Low	119 Å²	119	93.9 Å²	93.9	83%	0.832	50%	0.496	S	S	*	.	S	Bend	trans	52.3	-41.8	147.4	-41.3	0	0	0	0	121.2
1148	V	42.8	Very low	52	Low	132 Å²	132	98 Å²	98	80%	0.8	52%	0.515	S	S	*	.	S	Bend	trans	-100.2	-8.1	-169	-176.8	0	0	0	0	112.9	D1146	D1146-V1148 VanDerWaalsContact C-N 3.29Å; D1146-V1148 PolarHBondContact O-N 3.44Å
1149	L	44.2	Very low	52.6	Low	80 Å²	80	96.3 Å²	96.3	42%	0.419	51%	0.511	S	S	.	.			trans	-110.9	20.3	-177.4	-89.6	94.3	0	0	0	115.2	C1144 V1151 T1152 G1153	C1144-L1149 HydrophobicContact CB-CB 4.02Å; C1144-L1149 HydrophobicContact CB-CD2 4.45Å; C1144-L1149 WeakPolarHBondContact SG-CD2 3.29Å; L1149-V1151 VanDerWaalsContact C-N 3.32Å; L1149-V1151 PolarHBondContact O-N 2.83Å; L1149-T1152 VanDerWaalsContact C-OG1 3.31Å; L1149-T1152 VanDerWaalsContact CA-OG1 3.23Å; L1149-T1152 WeakPolarHBondContact CA-OG1 3.49Å; L1149-T1152 WeakPolarHBondContact CB-OG1 3.43Å; L1149-T1152 HydrophobicContact CD2-CG2 4.49Å; L1149-T1152 VanDerWaalsContact CD2-OG1 3.23Å; L1149-T1152 WeakPolarHBondContact CD2-OG1 3Å; L1149-T1152 WeakPolarHBondContact CG-OG1 3.37Å; L1149-T1152 PolarHBondContact O-N 3.05Å; L1149-T1152 PolarHBondContact O-OG1 3.18Å; L1149-G1153 PolarHBondContact O-N 3.41Å
1150	Y	44.5	Very low	53.2	Low	192 Å²	192	94.3 Å²	94.3	75%	0.753	50%	0.503	S	S	*	.	H	α-helix	trans	-61.5	-39.8	179.1	-156.3	-91.9	0	0	0	112.2	G1153 W1154	Y1150-G1153 PolarHBondContact O-N 2.86Å; Y1150-W1154 WeakPolarHBondContact O-CB 3.21Å; Y1150-W1154 PolarHBondContact O-N 3.16Å
1151	V	50.7	Low	53.4	Low	108 Å²	108	99.7 Å²	99.7	66%	0.655	52%	0.518	S	S	*	.	H	α-helix	trans	-65.7	-44	176.8	179.9	0	0	0	0	111.2	L1149 W1154 I1155	L1149-V1151 VanDerWaalsContact C-N 3.32Å; L1149-V1151 PolarHBondContact O-N 2.83Å; V1151-W1154 PolarHBondContact O-N 3.01Å; V1151-I1155 HydrophobicContact CG1-CD1 4Å; V1151-I1155 VanDerWaalsContact O-CG1 3.3Å; V1151-I1155 WeakPolarHBondContact O-CG1 3.44Å; V1151-I1155 PolarHBondContact O-N 3.31Å
1152	T	54.2	Low	54.1	Low	51 Å²	51	99.3 Å²	99.3	31%	0.313	52%	0.519	S	S	.	.	H	α-helix	trans	-67.3	-40.3	178.3	44.5	0	0	0	0	111.8	L1149 W1154 I1155 F1156	L1149-T1152 VanDerWaalsContact C-OG1 3.31Å; L1149-T1152 VanDerWaalsContact CA-OG1 3.23Å; L1149-T1152 WeakPolarHBondContact CA-OG1 3.49Å; L1149-T1152 WeakPolarHBondContact CB-OG1 3.43Å; L1149-T1152 HydrophobicContact CD2-CG2 4.49Å; L1149-T1152 VanDerWaalsContact CD2-OG1 3.23Å; L1149-T1152 WeakPolarHBondContact CD2-OG1 3Å; L1149-T1152 WeakPolarHBondContact CG-OG1 3.37Å; L1149-T1152 PolarHBondContact O-N 3.05Å; L1149-T1152 PolarHBondContact O-OG1 3.18Å; T1152-W1154 VanDerWaalsContact C-N 3.31Å; T1152-W1154 PolarHBondContact O-N 3.35Å; T1152-I1155 PolarHBondContact O-N 2.81Å; T1152-F1156 WeakPolarHBondContact O-CD2 3.44Å; T1152-F1156 PolarHBondContact O-N 3.31Å
1153	G	56.5	Low	55	Low	17 Å²	17	93.4 Å²	93.4	18%	0.175	49%	0.49	C	S	.	.	H	α-helix	trans	-61.3	-40.1	174.2	0	0	0	0	0	112.2	L1149 Y1150 F1156 C1157	L1149-G1153 PolarHBondContact O-N 3.41Å; Y1150-G1153 PolarHBondContact O-N 2.86Å; G1153-F1156 PolarHBondContact O-N 2.95Å; G1153-C1157 WeakPolarHBondContact O-CB 3.34Å; G1153-C1157 PolarHBondContact O-N 3.46Å
1154	W	52.3	Low	55.8	Low	158 Å²	158	88.5 Å²	88.5	60%	0.598	47%	0.474	S	S	*	.	H	α-helix	trans	-64.8	-42.6	175.5	-142	84.1	0	0	0	112.3	Y1150 V1151 T1152 C1157 M1158	Y1150-W1154 WeakPolarHBondContact O-CB 3.21Å; Y1150-W1154 PolarHBondContact O-N 3.16Å; V1151-W1154 PolarHBondContact O-N 3.01Å; T1152-W1154 VanDerWaalsContact C-N 3.31Å; T1152-W1154 PolarHBondContact O-N 3.35Å; W1154-C1157 PolarHBondContact O-N 3.38Å; W1154-M1158 HydrophobicContact CE3-CE 4.46Å; W1154-M1158 HydrophobicContact CE3-CG 3.91Å; W1154-M1158 HydrophobicContact CH2-CE 3.46Å; W1154-M1158 VanDerWaalsContact CH2-CE 3.46Å; W1154-M1158 HydrophobicContact CZ2-CE 3.99Å; W1154-M1158 HydrophobicContact CZ3-CE 3.72Å; W1154-M1158 HydrophobicContact CZ3-CG 3.82Å; W1154-M1158 PolarHBondContact O-N 2.88Å
1155	I	63	Low	56.5	Low	87 Å²	87	94.1 Å²	94.1	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-46.4	174.1	-69.9	166.3	0	0	0	110.5	V1151 T1152 C1157 M1158 I1159	V1151-I1155 HydrophobicContact CG1-CD1 4Å; V1151-I1155 VanDerWaalsContact O-CG1 3.3Å; V1151-I1155 WeakPolarHBondContact O-CG1 3.44Å; V1151-I1155 PolarHBondContact O-N 3.31Å; T1152-I1155 PolarHBondContact O-N 2.81Å; I1155-C1157 VanDerWaalsContact C-N 3.31Å; I1155-C1157 PolarHBondContact O-N 3.48Å; I1155-M1158 PolarHBondContact O-N 3.4Å; I1155-I1159 HydrophobicContact CG2-CD1 3.63Å; I1155-I1159 HydrophobicContact CG2-CG1 4.3Å; I1155-I1159 WeakPolarHBondContact O-CB 3.36Å; I1155-I1159 VanDerWaalsContact O-CG1 3.26Å; I1155-I1159 WeakPolarHBondContact O-CG1 3.34Å; I1155-I1159 PolarHBondContact O-N 2.93Å
1156	F	65.4	Low	58	Low	69 Å²	69	93.2 Å²	93.2	30%	0.303	47%	0.47	S	S	.	.	H	α-helix	trans	-62.7	-36.6	176.3	-78.6	-63.7	0	0	0	112.8	C1137 I1141 T1152 G1153 R1160	C1137-F1156 HydrophobicContact CB-CD1 4.09Å; I1141-F1156 HydrophobicContact CD1-CB 4.4Å; I1141-F1156 HydrophobicContact CG1-CB 3.95Å; T1152-F1156 WeakPolarHBondContact O-CD2 3.44Å; T1152-F1156 PolarHBondContact O-N 3.31Å; G1153-F1156 PolarHBondContact O-N 2.95Å; F1156-R1160 VanDerWaalsContact O-CB 3.29Å; F1156-R1160 WeakPolarHBondContact O-CB 3.41Å; F1156-R1160 PolarHBondContact O-N 2.89Å
1157	C	59.3	Low	59.2	Low	69 Å²	69	88.1 Å²	88.1	47%	0.466	44%	0.443	S	S	.	.	H	α-helix	trans	-65.5	-44.5	175	-115.8	0	0	0	0	111.9	G1153 W1154 I1155 R1160 Y1161	G1153-C1157 WeakPolarHBondContact O-CB 3.34Å; G1153-C1157 PolarHBondContact O-N 3.46Å; W1154-C1157 PolarHBondContact O-N 3.38Å; I1155-C1157 VanDerWaalsContact C-N 3.31Å; I1155-C1157 PolarHBondContact O-N 3.48Å; C1157-R1160 PolarHBondContact O-N 3.38Å; C1157-Y1161 WeakPolarHBondContact O-CB 3.48Å; C1157-Y1161 PolarHBondContact O-N 2.83Å
1158	M	62.8	Low	60	Low	90 Å²	90	88.6 Å²	88.6	44%	0.443	43%	0.43	S	S	.	.	H	α-helix	trans	-65.1	-44.2	176.3	-82.1	-65.4	170.7	0	0	112.1	W1154 I1155 R1160 Y1161 V1162	W1154-M1158 HydrophobicContact CE3-CE 4.46Å; W1154-M1158 HydrophobicContact CE3-CG 3.91Å; W1154-M1158 HydrophobicContact CH2-CE 3.46Å; W1154-M1158 VanDerWaalsContact CH2-CE 3.46Å; W1154-M1158 HydrophobicContact CZ2-CE 3.99Å; W1154-M1158 HydrophobicContact CZ3-CE 3.72Å; W1154-M1158 HydrophobicContact CZ3-CG 3.82Å; W1154-M1158 PolarHBondContact O-N 2.88Å; I1155-M1158 PolarHBondContact O-N 3.4Å; M1158-R1160 VanDerWaalsContact C-N 3.35Å; M1158-R1160 PolarHBondContact O-N 2.86Å; M1158-Y1161 PolarHBondContact O-N 3.23Å; M1158-V1162 WeakPolarHBondContact O-CG2 3.38Å; M1158-V1162 PolarHBondContact O-N 3.17Å
1159	I	68.3	Low	60.8	Low	70 Å²	70	88.7 Å²	88.7	36%	0.359	42%	0.416	S	S	.	.	H	α-helix	trans	-58.6	-48.6	174.8	-69.8	169.4	0	0	0	109.8	I1155 Y1161 V1162 L1163	I1155-I1159 HydrophobicContact CG2-CD1 3.63Å; I1155-I1159 HydrophobicContact CG2-CG1 4.3Å; I1155-I1159 WeakPolarHBondContact O-CB 3.36Å; I1155-I1159 VanDerWaalsContact O-CG1 3.26Å; I1155-I1159 WeakPolarHBondContact O-CG1 3.34Å; I1155-I1159 PolarHBondContact O-N 2.93Å; I1159-Y1161 VanDerWaalsContact C-N 3.34Å; I1159-Y1161 PolarHBondContact O-N 2.9Å; I1159-V1162 PolarHBondContact O-N 3.18Å; I1159-L1163 HydrophobicContact CG2-CD1 3.54Å; I1159-L1163 HydrophobicContact CG2-CG 4.16Å; I1159-L1163 WeakPolarHBondContact O-CB 3.49Å; I1159-L1163 WeakPolarHBondContact O-CG 3.47Å; I1159-L1163 PolarHBondContact O-N 3.14Å
1160	R	66.4	Low	61.9	Low	96 Å²	96	85.1 Å²	85.1	36%	0.362	40%	0.398	S	S	.	.	H	α-helix	trans	-60.1	-43.3	176.9	-178.4	177.5	165.9	179.9	-7.3	112.1	C1137 F1156 C1157 M1158 V1162 L1163 V1164	C1137-R1160 HydrophobicContact CB-CB 4.1Å; F1156-R1160 VanDerWaalsContact O-CB 3.29Å; F1156-R1160 WeakPolarHBondContact O-CB 3.41Å; F1156-R1160 PolarHBondContact O-N 2.89Å; C1157-R1160 PolarHBondContact O-N 3.38Å; M1158-R1160 VanDerWaalsContact C-N 3.35Å; M1158-R1160 PolarHBondContact O-N 2.86Å; R1160-V1162 PolarHBondContact O-N 3.21Å; R1160-L1163 PolarHBondContact O-N 2.91Å; R1160-V1164 HydrophobicContact CG-CG2 4.32Å; R1160-V1164 VanDerWaalsContact O-CG2 3.29Å; R1160-V1164 WeakPolarHBondContact O-CG2 3.21Å; R1160-V1164 PolarHBondContact O-N 3.04Å
1161	Y	62	Low	62.9	Low	131 Å²	131	81.4 Å²	81.4	51%	0.514	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-46.5	178.8	180	-95.2	0	0	0	111.8	C1157 M1158 I1159 R1165	C1157-Y1161 WeakPolarHBondContact O-CB 3.48Å; C1157-Y1161 PolarHBondContact O-N 2.83Å; M1158-Y1161 PolarHBondContact O-N 3.23Å; I1159-Y1161 VanDerWaalsContact C-N 3.34Å; I1159-Y1161 PolarHBondContact O-N 2.9Å; Y1161-R1165 HydrophobicContact CE1-CG 4.25Å; Y1161-R1165 WeakPolarHBondContact O-CG 3.19Å; Y1161-R1165 PolarHBondContact O-N 3.44Å; Y1161-R1165 VanDerWaalsContact O-N 3.17Å; Y1161-R1165 PolarHBondContact OH-NE 3.45Å; Y1161-R1165 PolarHBondContact OH-NH2 3.32Å
1162	V	67.3	Low	63.3	Low	52 Å²	52	79.1 Å²	79.1	32%	0.315	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-44.3	177.6	174.6	0	0	0	0	110.9	M1158 I1159 R1160 V1164 R1165 I1166	M1158-V1162 WeakPolarHBondContact O-CG2 3.38Å; M1158-V1162 PolarHBondContact O-N 3.17Å; I1159-V1162 PolarHBondContact O-N 3.18Å; R1160-V1162 PolarHBondContact O-N 3.21Å; V1162-V1164 PolarHBondContact O-N 3.32Å; V1162-R1165 WeakPolarHBondContact O-CB 3.4Å; V1162-R1165 PolarHBondContact O-N 3.46Å; V1162-I1166 HydrophobicContact CG1-CD1 3.84Å; V1162-I1166 HydrophobicContact CG1-CG1 4.46Å; V1162-I1166 WeakPolarHBondContact O-CG1 3.15Å; V1162-I1166 PolarHBondContact O-N 3.3Å
1163	L	71.1	Confident	63.6	Low	20 Å²	20	80.3 Å²	80.3	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-41.5	178.7	-71.2	168.4	0	0	0	112.7	L1130 V1133 C1134 I1159 R1160 I1166 L1167	L1130-L1163 HydrophobicContact CD2-CD2 3.13Å; L1130-L1163 HydrophobicContact CG-CD2 4.44Å; V1133-L1163 HydrophobicContact CB-CD1 4.09Å; V1133-L1163 HydrophobicContact CG1-CD1 3.52Å; C1134-L1163 WeakPolarHBondContact SG-CB 3.36Å; I1159-L1163 HydrophobicContact CG2-CD1 3.54Å; I1159-L1163 HydrophobicContact CG2-CG 4.16Å; I1159-L1163 WeakPolarHBondContact O-CB 3.49Å; I1159-L1163 WeakPolarHBondContact O-CG 3.47Å; I1159-L1163 PolarHBondContact O-N 3.14Å; R1160-L1163 PolarHBondContact O-N 2.91Å; L1163-I1166 PolarHBondContact O-N 3.31Å; L1163-L1167 WeakPolarHBondContact O-CB 3.48Å; L1163-L1167 WeakPolarHBondContact O-CG 3.42Å; L1163-L1167 PolarHBondContact O-N 3.43Å
1164	V	66.1	Low	64	Low	73 Å²	73	85.4 Å²	85.4	44%	0.442	39%	0.385	S	S	.	.	H	α-helix	trans	-64.9	-40.6	176.7	171.2	0	0	0	0	111	R1160 V1162 L1167 F1168	R1160-V1164 HydrophobicContact CG-CG2 4.32Å; R1160-V1164 VanDerWaalsContact O-CG2 3.29Å; R1160-V1164 WeakPolarHBondContact O-CG2 3.21Å; R1160-V1164 PolarHBondContact O-N 3.04Å; V1162-V1164 PolarHBondContact O-N 3.32Å; V1164-L1167 PolarHBondContact O-N 3.43Å; V1164-F1168 WeakPolarHBondContact O-CB 3.34Å; V1164-F1168 PolarHBondContact O-N 3.19Å
1165	R	62.6	Low	64.2	Low	160 Å²	160	84.3 Å²	84.3	60%	0.604	38%	0.381	S	S	*	.	H	α-helix	trans	-62.1	-42.1	174.4	-77.4	-89.5	-164.3	-177.1	3.1	111.8	Y1161 V1162 F1168 R1169	Y1161-R1165 HydrophobicContact CE1-CG 4.25Å; Y1161-R1165 WeakPolarHBondContact O-CG 3.19Å; Y1161-R1165 PolarHBondContact O-N 3.44Å; Y1161-R1165 VanDerWaalsContact O-N 3.17Å; Y1161-R1165 PolarHBondContact OH-NE 3.45Å; Y1161-R1165 PolarHBondContact OH-NH2 3.32Å; V1162-R1165 WeakPolarHBondContact O-CB 3.4Å; V1162-R1165 PolarHBondContact O-N 3.46Å; R1165-F1168 PolarHBondContact O-N 3.15Å; R1165-R1169 PolarHBondContact O-N 3.24Å
1166	I	68.7	Low	63.7	Low	41 Å²	41	83.8 Å²	83.8	21%	0.21	38%	0.382	C	S	.	.	H	α-helix	trans	-63.5	-49.3	175.9	-67.8	168	0	0	0	109.8	L1130 V1162 L1163 F1168 R1169 L1170	L1130-I1166 HydrophobicContact CD1-CG2 4.01Å; V1162-I1166 HydrophobicContact CG1-CD1 3.84Å; V1162-I1166 HydrophobicContact CG1-CG1 4.46Å; V1162-I1166 WeakPolarHBondContact O-CG1 3.15Å; V1162-I1166 PolarHBondContact O-N 3.3Å; L1163-I1166 PolarHBondContact O-N 3.31Å; I1166-F1168 VanDerWaalsContact C-N 3.31Å; I1166-F1168 PolarHBondContact O-N 3.49Å; I1166-R1169 PolarHBondContact O-N 3.44Å; I1166-R1169 VanDerWaalsContact O-N 3.16Å; I1166-L1170 HydrophobicContact CG2-CD1 3.9Å; I1166-L1170 HydrophobicContact CG2-CG 4.14Å; I1166-L1170 WeakPolarHBondContact O-CB 3.29Å; I1166-L1170 WeakPolarHBondContact O-CG 3.35Å; I1166-L1170 PolarHBondContact O-N 2.94Å
1167	L	68.3	Low	63.2	Low	35 Å²	35	86.8 Å²	86.8	18%	0.183	39%	0.392	C	S	.	.	H	α-helix	trans	-57	-43	176.8	-83.1	161.1	0	0	0	112.1	I1127 L1130 I1131 L1163 V1164 L1170 Y1171	I1127-L1167 HydrophobicContact CG2-CD2 4.08Å; L1130-L1167 HydrophobicContact CB-CD1 4.22Å; L1130-L1167 HydrophobicContact CB-CD2 4.04Å; L1130-L1167 HydrophobicContact CB-CG 4.07Å; L1130-L1167 HydrophobicContact CD1-CD2 4.46Å; I1131-L1167 HydrophobicContact CG1-CD1 4.2Å; I1131-L1167 HydrophobicContact CG1-CD2 3.98Å; L1163-L1167 WeakPolarHBondContact O-CB 3.48Å; L1163-L1167 WeakPolarHBondContact O-CG 3.42Å; L1163-L1167 PolarHBondContact O-N 3.43Å; V1164-L1167 PolarHBondContact O-N 3.43Å; L1167-L1170 PolarHBondContact O-N 3Å; L1167-Y1171 VanDerWaalsContact O-CB 3.27Å; L1167-Y1171 WeakPolarHBondContact O-CB 3.31Å; L1167-Y1171 PolarHBondContact O-N 3.44Å
1168	F	62.7	Low	62.9	Low	130 Å²	130	87.2 Å²	87.2	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-67.1	-37.9	178.7	-155.4	-95.8	0	0	0	112.3	V1164 R1165 I1166 N1172	V1164-F1168 WeakPolarHBondContact O-CB 3.34Å; V1164-F1168 PolarHBondContact O-N 3.19Å; R1165-F1168 PolarHBondContact O-N 3.15Å; I1166-F1168 VanDerWaalsContact C-N 3.31Å; I1166-F1168 PolarHBondContact O-N 3.49Å; F1168-N1172 PolarHBondContact O-N 2.93Å; F1168-N1172 PolarHBondContact O-ND2 3.26Å
1169	R	60.5	Low	62.2	Low	134 Å²	134	85.7 Å²	85.7	51%	0.506	39%	0.387	S	S	.	.	H	α-helix	trans	-67.7	-43.8	172.8	-93.4	-173.7	167.9	-177.4	-2.6	112.3	R1165 I1166 Y1171 N1172 L1173	R1165-R1169 PolarHBondContact O-N 3.24Å; I1166-R1169 PolarHBondContact O-N 3.44Å; I1166-R1169 VanDerWaalsContact O-N 3.16Å; R1169-Y1171 VanDerWaalsContact C-N 3.31Å; R1169-Y1171 PolarHBondContact O-N 3.32Å; R1169-N1172 PolarHBondContact O-N 3.26Å; R1169-L1173 WeakPolarHBondContact O-CB 3.28Å; R1169-L1173 PolarHBondContact O-N 3.39Å
1170	L	66.3	Low	61.1	Low	5 Å²	5	87 Å²	87	3%	0.026	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-41.3	176.2	-73	-178	0	0	0	111.3	L1112 F1116 F1123 I1126 I1127 L1130 I1166 L1167 L1173 W1174	L1112-L1170 HydrophobicContact CD2-CD2 3.77Å; F1116-L1170 HydrophobicContact CE2-CD2 3.73Å; F1116-L1170 HydrophobicContact CZ-CD2 3.86Å; F1123-L1170 HydrophobicContact CE2-CB 4.47Å; F1123-L1170 HydrophobicContact CE2-CD2 3.69Å; F1123-L1170 HydrophobicContact CE2-CG 4.44Å; F1123-L1170 HydrophobicContact CZ-CB 4.1Å; F1123-L1170 HydrophobicContact CZ-CD2 4.12Å; I1126-L1170 HydrophobicContact CG2-CD1 4.5Å; I1127-L1170 HydrophobicContact CG1-CD1 4.22Å; L1130-L1170 HydrophobicContact CD1-CD1 3.66Å; I1166-L1170 HydrophobicContact CG2-CD1 3.9Å; I1166-L1170 HydrophobicContact CG2-CG 4.14Å; I1166-L1170 WeakPolarHBondContact O-CB 3.29Å; I1166-L1170 WeakPolarHBondContact O-CG 3.35Å; I1166-L1170 PolarHBondContact O-N 2.94Å; L1167-L1170 PolarHBondContact O-N 3Å; L1170-L1173 PolarHBondContact O-N 3.23Å; L1170-W1174 VanDerWaalsContact O-CB 3.3Å; L1170-W1174 WeakPolarHBondContact O-CB 3.42Å; L1170-W1174 PolarHBondContact O-N 2.86Å
1171	Y	65.9	Low	59.9	Low	114 Å²	114	85.4 Å²	85.4	45%	0.447	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-45.9	173.9	177.3	-103.1	0	0	0	111.6	L1167 R1169 W1174 R1175	L1167-Y1171 VanDerWaalsContact O-CB 3.27Å; L1167-Y1171 WeakPolarHBondContact O-CB 3.31Å; L1167-Y1171 PolarHBondContact O-N 3.44Å; R1169-Y1171 VanDerWaalsContact C-N 3.31Å; R1169-Y1171 PolarHBondContact O-N 3.32Å; Y1171-W1174 PolarHBondContact O-N 3.4Å; Y1171-R1175 WeakPolarHBondContact O-CB 3.29Å; Y1171-R1175 PolarHBondContact O-N 3.46Å
1172	N	59.8	Low	58.8	Low	60 Å²	60	82 Å²	82	32%	0.321	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-40.8	177.2	-76.9	-26.1	0	0	0	112.6	F1168 R1169 R1175 T1176	F1168-N1172 PolarHBondContact O-N 2.93Å; F1168-N1172 PolarHBondContact O-ND2 3.26Å; R1169-N1172 PolarHBondContact O-N 3.26Å; N1172-R1175 WeakPolarHBondContact O-CB 3.46Å; N1172-R1175 PolarHBondContact O-N 3.39Å; N1172-R1175 PolarHBondContact OD1-NH2 2.94Å; N1172-T1176 PolarHBondContact O-N 2.86Å; N1172-T1176 PolarHBondContact O-OG1 3.35Å
1173	L	61.3	Low	57.4	Low	75 Å²	75	85.8 Å²	85.8	39%	0.393	41%	0.407	S	S	.	.	H	α-helix	trans	-61.5	-43.9	174.5	-81.5	165.5	0	0	0	111.8	F1116 R1169 L1170 R1175 T1176 Y1177	F1116-L1173 HydrophobicContact CE2-CD1 3.98Å; F1116-L1173 HydrophobicContact CZ-CB 4.03Å; F1116-L1173 HydrophobicContact CZ-CD1 4.08Å; R1169-L1173 WeakPolarHBondContact O-CB 3.28Å; R1169-L1173 PolarHBondContact O-N 3.39Å; L1170-L1173 PolarHBondContact O-N 3.23Å; L1173-R1175 VanDerWaalsContact C-N 3.32Å; L1173-R1175 PolarHBondContact O-N 2.91Å; L1173-T1176 VanDerWaalsContact CA-OG1 3.28Å; L1173-T1176 WeakPolarHBondContact CA-OG1 3.3Å; L1173-T1176 PolarHBondContact O-N 2.98Å; L1173-T1176 PolarHBondContact O-OG1 2.89Å; L1173-Y1177 WeakPolarHBondContact O-CB 3.44Å; L1173-Y1177 PolarHBondContact O-N 3.48Å
1174	W	63.5	Low	55.7	Low	124 Å²	124	92.5 Å²	92.5	47%	0.47	44%	0.44	S	S	.	.	H	α-helix	trans	-63.7	-38.7	174.8	-172.5	74.9	0	0	0	111.6	F1123 L1170 Y1171 Y1177 I1178	F1123-W1174 HydrophobicContact CE1-CB 4.1Å; F1123-W1174 AromaticContact CE1-CD1 3.74Å; F1123-W1174 HydrophobicContact CE1-CG 4.12Å; F1123-W1174 HydrophobicContact CZ-CB 4.37Å; L1170-W1174 VanDerWaalsContact O-CB 3.3Å; L1170-W1174 WeakPolarHBondContact O-CB 3.42Å; L1170-W1174 PolarHBondContact O-N 2.86Å; Y1171-W1174 PolarHBondContact O-N 3.4Å; W1174-Y1177 PolarHBondContact O-N 3.31Å; W1174-I1178 HydrophobicContact CD2-CD1 3.64Å; W1174-I1178 HydrophobicContact CD2-CG1 4.39Å; W1174-I1178 VanDerWaalsContact CE2-CD1 3.45Å; W1174-I1178 HydrophobicContact CE3-CD1 3.63Å; W1174-I1178 HydrophobicContact CH2-CD1 3.33Å; W1174-I1178 HydrophobicContact CZ2-CD1 3.34Å; W1174-I1178 HydrophobicContact CZ2-CG1 4.47Å; W1174-I1178 HydrophobicContact CZ3-CD1 3.47Å; W1174-I1178 VanDerWaalsContact CZ3-CD1 3.47Å; W1174-I1178 WeakPolarHBondContact O-CG1 3.41Å; W1174-I1178 PolarHBondContact O-N 3.07Å
1175	R	56.3	Low	54.1	Low	136 Å²	136	99.2 Å²	99.2	51%	0.513	46%	0.457	S	S	.	.	H	α-helix	trans	-63.3	-43.8	175.5	-139.3	-151.4	-59	-149	8.1	112	Y1171 N1172 L1173 I1178 S1179	Y1171-R1175 WeakPolarHBondContact O-CB 3.29Å; Y1171-R1175 PolarHBondContact O-N 3.46Å; N1172-R1175 WeakPolarHBondContact O-CB 3.46Å; N1172-R1175 PolarHBondContact O-N 3.39Å; N1172-R1175 PolarHBondContact OD1-NH2 2.94Å; L1173-R1175 VanDerWaalsContact C-N 3.32Å; L1173-R1175 PolarHBondContact O-N 2.91Å; R1175-I1178 PolarHBondContact O-N 3.34Å; R1175-S1179 WeakPolarHBondContact O-CB 3.45Å; R1175-S1179 PolarHBondContact O-N 2.98Å
1176	T	53.5	Low	52.5	Low	76 Å²	76	100 Å²	100	47%	0.466	47%	0.465	S	S	.	.	H	α-helix	trans	-64.2	-39	173.1	35.7	0	0	0	0	111.9	N1172 L1173 I1178 S1179 D1180	N1172-T1176 PolarHBondContact O-N 2.86Å; N1172-T1176 PolarHBondContact O-OG1 3.35Å; L1173-T1176 VanDerWaalsContact CA-OG1 3.28Å; L1173-T1176 WeakPolarHBondContact CA-OG1 3.3Å; L1173-T1176 PolarHBondContact O-N 2.98Å; L1173-T1176 PolarHBondContact O-OG1 2.89Å; T1176-I1178 PolarHBondContact O-N 3.45Å; T1176-S1179 VanDerWaalsContact O-CB 3.29Å; T1176-S1179 WeakPolarHBondContact O-CB 3.23Å; T1176-S1179 PolarHBondContact O-N 3.32Å; T1176-D1180 PolarHBondContact O-N 3.42Å
1177	Y	54.4	Low	50.6	Low	132 Å²	132	103.3 Å²	103.3	52%	0.518	49%	0.491	S	S	.	.	H	α-helix	trans	-66.7	-37.6	177.5	-165.3	-87.1	0	0	0	112.6	L1173 W1174 D1180 C1181	L1173-Y1177 WeakPolarHBondContact O-CB 3.44Å; L1173-Y1177 PolarHBondContact O-N 3.48Å; W1174-Y1177 PolarHBondContact O-N 3.31Å; Y1177-D1180 PolarHBondContact O-N 3.24Å; Y1177-C1181 WeakPolarHBondContact O-CB 3.26Å; Y1177-C1181 PolarHBondContact O-N 3.31Å
1178	I	53.5	Low	48.7	Very low	78 Å²	78	110.9 Å²	110.9	40%	0.4	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-40.8	172.6	-73.4	176.8	0	0	0	111.2	W1174 R1175 T1176 D1180 C1181 S1182	W1174-I1178 HydrophobicContact CD2-CD1 3.64Å; W1174-I1178 HydrophobicContact CD2-CG1 4.39Å; W1174-I1178 VanDerWaalsContact CE2-CD1 3.45Å; W1174-I1178 HydrophobicContact CE3-CD1 3.63Å; W1174-I1178 HydrophobicContact CH2-CD1 3.33Å; W1174-I1178 HydrophobicContact CZ2-CD1 3.34Å; W1174-I1178 HydrophobicContact CZ2-CG1 4.47Å; W1174-I1178 HydrophobicContact CZ3-CD1 3.47Å; W1174-I1178 VanDerWaalsContact CZ3-CD1 3.47Å; W1174-I1178 WeakPolarHBondContact O-CG1 3.41Å; W1174-I1178 PolarHBondContact O-N 3.07Å; R1175-I1178 PolarHBondContact O-N 3.34Å; T1176-I1178 PolarHBondContact O-N 3.45Å; I1178-D1180 VanDerWaalsContact C-N 3.32Å; I1178-D1180 PolarHBondContact O-N 2.95Å; I1178-C1181 PolarHBondContact O-N 2.95Å; I1178-S1182 WeakPolarHBondContact O-CB 3.23Å; I1178-S1182 PolarHBondContact O-N 3.47Å
1179	S	48.5	Very low	47	Very low	58 Å²	58	110 Å²	110	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-54.5	-49.4	172.7	157.7	0	0	0	0	110.7	R1175 T1176 C1181 S1182 Q1183	R1175-S1179 WeakPolarHBondContact O-CB 3.45Å; R1175-S1179 PolarHBondContact O-N 2.98Å; T1176-S1179 VanDerWaalsContact O-CB 3.29Å; T1176-S1179 WeakPolarHBondContact O-CB 3.23Å; T1176-S1179 PolarHBondContact O-N 3.32Å; S1179-C1181 PolarHBondContact O-N 2.91Å; S1179-S1182 PolarHBondContact O-N 2.88Å; S1179-S1182 PolarHBondContact O-OG 3.13Å; S1179-Q1183 PolarHBondContact O-N 3.27Å; S1179-Q1183 VanDerWaalsContact O-N 3.1Å
1180	D	44.2	Very low	45.4	Very low	96 Å²	96	111.5 Å²	111.5	51%	0.513	55%	0.546	S	S	.	.	H	α-helix	trans	-67.5	-38.7	179.5	-70	-6.8	0	0	0	112.5	T1176 Y1177 I1178 S1182 Q1183 M1184	T1176-D1180 PolarHBondContact O-N 3.42Å; Y1177-D1180 PolarHBondContact O-N 3.24Å; I1178-D1180 VanDerWaalsContact C-N 3.32Å; I1178-D1180 PolarHBondContact O-N 2.95Å; D1180-S1182 VanDerWaalsContact C-N 3.31Å; D1180-S1182 PolarHBondContact O-N 3.31Å; D1180-Q1183 PolarHBondContact O-N 3.43Å; D1180-M1184 PolarHBondContact O-N 3.37Å
1181	C	41	Very low	43.5	Very low	64 Å²	64	116.3 Å²	116.3	43%	0.432	58%	0.58	S	S	.	*	H	α-helix	trans	-66	-32.4	173.5	-91.8	0	0	0	0	112.9	Y1177 I1178 S1179 M1184 R1185	Y1177-C1181 WeakPolarHBondContact O-CB 3.26Å; Y1177-C1181 PolarHBondContact O-N 3.31Å; I1178-C1181 PolarHBondContact O-N 2.95Å; S1179-C1181 PolarHBondContact O-N 2.91Å; C1181-M1184 PolarHBondContact O-N 2.92Å; C1181-R1185 PolarHBondContact O-N 3.46Å
1182	S	40.7	Very low	41.7	Very low	60 Å²	60	120.1 Å²	120.1	42%	0.42	60%	0.599	S	S	.	*	H	α-helix	trans	-67.9	-37.8	174.8	74.6	0	0	0	0	111.2	I1178 S1179 D1180 R1185 F1186	I1178-S1182 WeakPolarHBondContact O-CB 3.23Å; I1178-S1182 PolarHBondContact O-N 3.47Å; S1179-S1182 PolarHBondContact O-N 2.88Å; S1179-S1182 PolarHBondContact O-OG 3.13Å; D1180-S1182 VanDerWaalsContact C-N 3.31Å; D1180-S1182 PolarHBondContact O-N 3.31Å; S1182-R1185 PolarHBondContact O-N 3.33Å; S1182-F1186 WeakPolarHBondContact O-CD2 3.23Å; S1182-F1186 PolarHBondContact O-N 3.21Å; S1182-F1186 VanDerWaalsContact O-N 3.17Å
1183	Q	37.5	Very low	40.2	Very low	131 Å²	131	124.3 Å²	124.3	61%	0.612	62%	0.621	S	S	*	*	H	α-helix	trans	-66.9	-36.9	173.2	-76.8	-169.1	-13.2	0	0	112.9	S1179 D1180 R1185 F1186 C1187	S1179-Q1183 PolarHBondContact O-N 3.27Å; S1179-Q1183 VanDerWaalsContact O-N 3.1Å; D1180-Q1183 PolarHBondContact O-N 3.43Å; Q1183-R1185 PolarHBondContact O-N 3.03Å; Q1183-F1186 PolarHBondContact O-N 3.49Å; Q1183-C1187 PolarHBondContact O-N 3.18Å; Q1183-C1187 PolarHBondContact O-SG 3.18Å
1184	M	34.9	Very low	38.4	Very low	160 Å²	160	127.7 Å²	127.7	79%	0.788	65%	0.645	S	S	*	*	H	α-helix	trans	-69.4	-31.2	177.4	-90.5	-168.1	168.7	0	0	114	D1180 C1181	D1180-M1184 PolarHBondContact O-N 3.37Å; C1181-M1184 PolarHBondContact O-N 2.92Å
1185	R	31.9	Very low	36.6	Very low	214 Å²	214	126.2 Å²	126.2	81%	0.808	65%	0.654	S	S	*	*	H	α-helix	trans	-78.2	-28	173.8	-96.4	-173.4	177.9	-175.3	-0.5	113.3	C1181 S1182 Q1183 C1187	C1181-R1185 PolarHBondContact O-N 3.46Å; S1182-R1185 PolarHBondContact O-N 3.33Å; Q1183-R1185 PolarHBondContact O-N 3.03Å; R1185-C1187 VanDerWaalsContact C-N 3.31Å; R1185-C1187 PolarHBondContact O-N 3.45Å
1186	F	29.3	Very low	35	Very low	176 Å²	176	125.7 Å²	125.7	77%	0.772	67%	0.666	S	S	*	*	H	α-helix	trans	-77.6	-12.9	176.6	-90.3	-80.3	0	0	0	114.4	S1182 Q1183 K1188	S1182-F1186 WeakPolarHBondContact O-CD2 3.23Å; S1182-F1186 PolarHBondContact O-N 3.21Å; S1182-F1186 VanDerWaalsContact O-N 3.17Å; Q1183-F1186 PolarHBondContact O-N 3.49Å; F1186-K1188 VanDerWaalsContact C-N 3.3Å; F1186-K1188 PolarHBondContact O-N 2.94Å
1187	C	28.7	Very low	33.7	Very low	111 Å²	111	128 Å²	128	75%	0.75	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	5.2	175.5	-69.2	0	0	0	0	115.2	Q1183 R1185	Q1183-C1187 PolarHBondContact O-N 3.18Å; Q1183-C1187 PolarHBondContact O-SG 3.18Å; R1185-C1187 VanDerWaalsContact C-N 3.31Å; R1185-C1187 PolarHBondContact O-N 3.45Å
1188	K	28.3	Very low	32.3	Very low	194 Å²	194	127.9 Å²	127.9	84%	0.843	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	9.4	-177.5	-107.5	-174.7	-178.8	-178.1	0	117.6	F1186	F1186-K1188 VanDerWaalsContact C-N 3.3Å; F1186-K1188 PolarHBondContact O-N 2.94Å
1189	V	28.1	Very low	31.1	Very low	111 Å²	111	129.6 Å²	129.6	67%	0.673	71%	0.712	S	S	*	*	S	Bend	trans	-113.4	-13.7	-177.1	-174.7	0	0	0	0	114.8	S1191	V1189-S1191 PolarHBondContact O-N 3.43Å; V1189-S1191 VanDerWaalsContact O-N 3.09Å
1190	N	27	Very low	30	Very low	167 Å²	167	135.1 Å²	135.1	89%	0.893	74%	0.737	S	S	*	*			trans	-92	68.4	178.8	-76.8	-3.2	0	0	0	113.1
1191	S	25.1	Very low	29.3	Very low	106 Å²	106	135 Å²	135	74%	0.741	74%	0.744	S	S	*	*			trans	-152.8	66.3	156.2	71.3	0	0	0	0	109.9	V1189	V1189-S1191 PolarHBondContact O-N 3.43Å; V1189-S1191 VanDerWaalsContact O-N 3.09Å
1192	K	29.1	Very low	28.5	Very low	193 Å²	193	140 Å²	140	84%	0.839	77%	0.767	S	S	*	*	S	Bend	trans	-161.6	109	163.5	-109.7	161.9	-168.7	-171.5	0	111.7
1193	N	27.2	Very low	27.9	Very low	149 Å²	149	142.4 Å²	142.4	80%	0.797	78%	0.778	S	S	*	*			trans	51.3	105.8	146.1	-65.8	-0.7	0	0	0	119.6	S1195	N1193-S1195 PolarHBondContact O-N 2.88Å
1194	T	23.5	Very low	27.3	Very low	145 Å²	145	142.8 Å²	142.8	89%	0.89	79%	0.79	S	S	*	*			trans	-51.6	117.4	147.8	44.3	0	0	0	0	112.4
1195	S	25.6	Very low	26.8	Very low	93 Å²	93	140.4 Å²	140.4	65%	0.65	78%	0.784	S	S	*	*			trans	-164.1	111.1	153.5	56	0	0	0	0	111.6	N1193	N1193-S1195 PolarHBondContact O-N 2.88Å
1196	T	24	Very low	26.6	Very low	125 Å²	125	138.8 Å²	138.8	77%	0.767	79%	0.786	S	S	*	*			trans	65.5	143.1	135.9	54.6	0	0	0	0	122.4
1197	T	26.3	Very low	26.5	Very low	124 Å²	124	136 Å²	136	76%	0.761	78%	0.778	S	S	*	*			trans	90.2	96.9	155.8	57.3	0	0	0	0	120.6
1198	T	23.1	Very low	26.5	Very low	130 Å²	130	135.6 Å²	135.6	80%	0.798	78%	0.776	S	S	*	*				29.5	117.9	125.1	52	0	0	0	0	120.1
1199	S	29.9	Very low	26.7	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	78%	0.779	S	S	*	*				-168.3	128.1	129	46.3	0	0	0	0	111.4
1200	N	23.8	Very low	26.7	Very low	173 Å²	173	136 Å²	136	93%	0.925	77%	0.766	S	S	*	*			trans	-67.2	125.9	171.5	-82.1	-23	0	0	0	110.1
1201	S	30.2	Very low	27.2	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	74%	0.741	S	S	*	*			trans	-142.9	116.7	156.5	58.4	0	0	0	0	109.8	T1203	S1201-T1203 PolarHBondContact O-N 3.33Å
1202	N	25.1	Very low	27.8	Very low	169 Å²	169	130.7 Å²	130.7	90%	0.904	74%	0.739	S	S	*	*			trans	-63.4	97.9	172.8	-74.3	-21.1	0	0	0	108.8
1203	T	27.6	Very low	28.3	Very low	109 Å²	109	123.9 Å²	123.9	67%	0.669	72%	0.716	S	S	*	*			trans	-101.4	102.2	166	36.4	0	0	0	0	107.7	S1201 V1205	S1201-T1203 PolarHBondContact O-N 3.33Å; T1203-V1205 PolarHBondContact O-N 3.37Å
1204	T	23.9	Very low	28.8	Very low	140 Å²	140	120 Å²	120	86%	0.859	69%	0.694	S	S	*	*			trans	-58	100.6	160.9	40.8	0	0	0	0	108	E1206	T1204-E1206 PolarHBondContact O-N 3.28Å
1205	V	25.5	Very low	29.5	Very low	110 Å²	110	115.3 Å²	115.3	67%	0.667	67%	0.665	S	S	*	*			trans	-72.7	119.7	174.5	176.8	0	0	0	0	108	T1203 I1207	T1203-V1205 PolarHBondContact O-N 3.37Å; V1205-I1207 HydrophobicContact CG1-CG1 4.34Å; V1205-I1207 WeakPolarHBondContact O-CG1 3.12Å; V1205-I1207 PolarHBondContact O-N 2.97Å; V1205-I1207 VanDerWaalsContact O-N 3.14Å
1206	E	27	Very low	30	Very low	179 Å²	179	113.5 Å²	113.5	84%	0.836	65%	0.646	S	S	*	*			trans	-63.1	106.2	169.5	-79	-179	134.1	0	0	109.7	T1204 S1208	T1204-E1206 PolarHBondContact O-N 3.28Å; E1206-S1208 VanDerWaalsContact C-N 3.26Å; E1206-S1208 PolarHBondContact O-N 3.37Å
1207	I	26.9	Very low	30.8	Very low	118 Å²	118	114 Å²	114	61%	0.605	64%	0.638	S	S	*	*			trans	-89	20.4	-178.1	-67.3	167.6	0	0	0	111.8	V1205 R1209 L1210	V1205-I1207 HydrophobicContact CG1-CG1 4.34Å; V1205-I1207 WeakPolarHBondContact O-CG1 3.12Å; V1205-I1207 PolarHBondContact O-N 2.97Å; V1205-I1207 VanDerWaalsContact O-N 3.14Å; I1207-R1209 PolarHBondContact O-N 2.91Å; I1207-L1210 HydrophobicContact CG2-CD1 3.3Å; I1207-L1210 HydrophobicContact CG2-CG 3.75Å
1208	S	30.3	Very low	31.1	Very low	102 Å²	102	111.8 Å²	111.8	71%	0.713	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	15.1	-175.8	57.9	0	0	0	0	115.6	E1206	E1206-S1208 VanDerWaalsContact C-N 3.26Å; E1206-S1208 PolarHBondContact O-N 3.37Å
1209	R	32.1	Very low	31.7	Very low	240 Å²	240	107 Å²	107	91%	0.906	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.5	32.9	179.9	-69	-170.8	-179.3	171.7	3.1	115.1	I1207	I1207-R1209 PolarHBondContact O-N 2.91Å
1210	L	28.2	Very low	31.9	Very low	75 Å²	75	104.7 Å²	104.7	39%	0.393	57%	0.569	S	S	.	*			trans	-76.9	129.3	172.9	-69.5	178.5	0	0	0	111	I1207 I1214 I1218	I1207-L1210 HydrophobicContact CG2-CD1 3.3Å; I1207-L1210 HydrophobicContact CG2-CG 3.75Å; L1210-I1214 HydrophobicContact CB-CB 4.39Å; L1210-I1214 HydrophobicContact CD1-CG2 4Å; L1210-I1214 HydrophobicContact CD2-CB 4.2Å; L1210-I1214 HydrophobicContact CD2-CD1 3.61Å; L1210-I1214 HydrophobicContact CD2-CG1 4.5Å; L1210-I1214 HydrophobicContact CD2-CG2 3.9Å; L1210-I1214 HydrophobicContact CG-CG2 4.39Å; L1210-I1218 HydrophobicContact CD1-CD1 4.38Å
1211	S	37.1	Very low	32.2	Very low	52 Å²	52	103.8 Å²	103.8	36%	0.364	56%	0.559	S	S	.	*			trans	-64	152.3	171.7	57	0	0	0	0	110.7	S1213 I1214 V1215	S1211-S1213 PolarHBondContact O-N 2.9Å; S1211-S1213 PolarHBondContact OG-OG 3.46Å; S1211-I1214 PolarHBondContact O-N 2.94Å; S1211-V1215 PolarHBondContact O-N 3.42Å
1212	P	37.7	Very low	32.1	Very low	108 Å²	108	103.8 Å²	103.8	70%	0.701	55%	0.552	S	S	*	*	H	α-helix	trans	-50.3	-30	175.7	-28.3	34.3	0	0	0	114.2	I1214 V1215 Q1216	P1212-I1214 VanDerWaalsContact C-N 3.33Å; P1212-I1214 PolarHBondContact O-N 3.36Å; P1212-V1215 PolarHBondContact O-N 3.27Å; P1212-Q1216 PolarHBondContact O-N 3.38Å
1213	S	39.4	Very low	32.4	Very low	51 Å²	51	100.4 Å²	100.4	36%	0.357	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-31.3	176.5	52.9	0	0	0	0	114.1	S1211 K1217	S1211-S1213 PolarHBondContact O-N 2.9Å; S1211-S1213 PolarHBondContact OG-OG 3.46Å; S1213-K1217 PolarHBondContact O-N 2.77Å
1214	I	37.6	Very low	32.4	Very low	68 Å²	68	100 Å²	100	35%	0.349	53%	0.528	S	S	.	.	H	α-helix	trans	-81.1	-34.9	176.8	-61.7	171.6	0	0	0	110.4	L1210 S1211 P1212 Q1216 K1217 I1218	L1210-I1214 HydrophobicContact CB-CB 4.39Å; L1210-I1214 HydrophobicContact CD1-CG2 4Å; L1210-I1214 HydrophobicContact CD2-CB 4.2Å; L1210-I1214 HydrophobicContact CD2-CD1 3.61Å; L1210-I1214 HydrophobicContact CD2-CG1 4.5Å; L1210-I1214 HydrophobicContact CD2-CG2 3.9Å; L1210-I1214 HydrophobicContact CG-CG2 4.39Å; S1211-I1214 PolarHBondContact O-N 2.94Å; P1212-I1214 VanDerWaalsContact C-N 3.33Å; P1212-I1214 PolarHBondContact O-N 3.36Å; I1214-Q1216 VanDerWaalsContact C-N 3.29Å; I1214-Q1216 PolarHBondContact O-N 3.49Å; I1214-K1217 PolarHBondContact O-N 3.27Å; I1214-K1217 VanDerWaalsContact O-N 3.13Å; I1214-I1218 HydrophobicContact CG2-CD1 4.03Å; I1214-I1218 HydrophobicContact CG2-CG1 4.43Å; I1214-I1218 WeakPolarHBondContact O-CG1 3.09Å; I1214-I1218 PolarHBondContact O-N 3.48Å
1215	V	37.7	Very low	32.4	Very low	45 Å²	45	98 Å²	98	27%	0.273	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-40.1	171.8	-179	0	0	0	0	110.6	S1211 P1212 K1217 I1218 S1219	S1211-V1215 PolarHBondContact O-N 3.42Å; P1212-V1215 PolarHBondContact O-N 3.27Å; V1215-K1217 PolarHBondContact O-N 3.14Å; V1215-I1218 PolarHBondContact O-N 2.84Å; V1215-S1219 VanDerWaalsContact O-CB 3.22Å; V1215-S1219 WeakPolarHBondContact O-CB 3.09Å; V1215-S1219 PolarHBondContact O-N 3.26Å
1216	Q	36.4	Very low	32.4	Very low	55 Å²	55	98.5 Å²	98.5	26%	0.257	51%	0.51	S	S	.	.	H	α-helix	trans	-59.3	-42.8	171.5	-95.3	-177.4	-17.3	0	0	112.8	W601 P1212 I1214 S1219 Q1220	W601-Q1216 HydrophobicContact CH2-CG 4.05Å; W601-Q1216 HydrophobicContact CZ2-CG 4.33Å; P1212-Q1216 PolarHBondContact O-N 3.38Å; I1214-Q1216 VanDerWaalsContact C-N 3.29Å; I1214-Q1216 PolarHBondContact O-N 3.49Å; Q1216-S1219 PolarHBondContact O-N 2.85Å; Q1216-Q1220 WeakPolarHBondContact O-CB 3.3Å; Q1216-Q1220 WeakPolarHBondContact O-CG 3.33Å; Q1216-Q1220 PolarHBondContact O-N 3.21Å
1217	K	40	Very low	32.2	Very low	135 Å²	135	96.3 Å²	96.3	59%	0.587	50%	0.499	S	S	*	.	H	α-helix	trans	-64.9	-42.4	177.4	-90.5	-175.4	173.1	-179.6	0	112.9	S1213 I1214 V1215 Q1220 Q1221	S1213-K1217 PolarHBondContact O-N 2.77Å; I1214-K1217 PolarHBondContact O-N 3.27Å; I1214-K1217 VanDerWaalsContact O-N 3.13Å; V1215-K1217 PolarHBondContact O-N 3.14Å; K1217-Q1220 PolarHBondContact O-N 2.91Å; K1217-Q1221 PolarHBondContact O-N 2.87Å
1218	I	33.4	Very low	32.3	Very low	79 Å²	79	91.3 Å²	91.3	41%	0.405	47%	0.474	S	S	.	.	H	α-helix	trans	-70.1	-38.8	179.2	-63.5	171	0	0	0	110.5	L1210 I1214 V1215 Q1221 N1222	L1210-I1218 HydrophobicContact CD1-CD1 4.38Å; I1214-I1218 HydrophobicContact CG2-CD1 4.03Å; I1214-I1218 HydrophobicContact CG2-CG1 4.43Å; I1214-I1218 WeakPolarHBondContact O-CG1 3.09Å; I1214-I1218 PolarHBondContact O-N 3.48Å; V1215-I1218 PolarHBondContact O-N 2.84Å; I1218-Q1221 PolarHBondContact O-N 2.74Å; I1218-N1222 PolarHBondContact O-N 3.09Å
1219	S	35.2	Very low	32.4	Very low	28 Å²	28	90.8 Å²	90.8	20%	0.196	46%	0.462	C	S	.	.	H	α-helix	trans	-61.6	-43.5	173.6	170	0	0	0	0	111.9	V1215 Q1216 Q1221 N1222 R1223	V1215-S1219 VanDerWaalsContact O-CB 3.22Å; V1215-S1219 WeakPolarHBondContact O-CB 3.09Å; V1215-S1219 PolarHBondContact O-N 3.26Å; Q1216-S1219 PolarHBondContact O-N 2.85Å; S1219-Q1221 PolarHBondContact O-N 3.36Å; S1219-N1222 PolarHBondContact O-N 2.86Å; S1219-R1223 WeakPolarHBondContact O-CG 3.3Å; S1219-R1223 PolarHBondContact O-N 3.35Å; S1219-R1223 VanDerWaalsContact O-N 3.12Å
1220	Q	34.6	Very low	32.4	Very low	68 Å²	68	82.9 Å²	82.9	32%	0.318	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-37.1	178.9	-78.7	-176.8	-17	0	0	113.2	Q1216 K1217 N1222 R1223	Q1216-Q1220 WeakPolarHBondContact O-CB 3.3Å; Q1216-Q1220 WeakPolarHBondContact O-CG 3.33Å; Q1216-Q1220 PolarHBondContact O-N 3.21Å; K1217-Q1220 PolarHBondContact O-N 2.91Å; Q1220-N1222 PolarHBondContact O-N 3.46Å; Q1220-R1223 PolarHBondContact O-N 3.31Å
1221	Q	29.5	Very low	32.6	Very low	154 Å²	154	83.4 Å²	83.4	72%	0.72	44%	0.441	S	S	*	.	H	α-helix	trans	-66.7	-21.9	176.4	-81.5	-171.9	-27.1	0	0	113.6	K1217 I1218 S1219	K1217-Q1221 PolarHBondContact O-N 2.87Å; I1218-Q1221 PolarHBondContact O-N 2.74Å; S1219-Q1221 PolarHBondContact O-N 3.36Å
1222	N	28.9	Very low	32.3	Very low	95 Å²	95	85.2 Å²	85.2	51%	0.508	45%	0.445	S	S	.	.	H	α-helix	trans	-97.6	-7.3	174.7	-85.1	-10	0	0	0	114.1	I1218 S1219 Q1220 N1225	I1218-N1222 PolarHBondContact O-N 3.09Å; S1219-N1222 PolarHBondContact O-N 2.86Å; Q1220-N1222 PolarHBondContact O-N 3.46Å; N1222-N1225 PolarHBondContact O-N 2.78Å
1223	R	31.2	Very low	32	Very low	97 Å²	97	83.8 Å²	83.8	37%	0.366	43%	0.429	S	S	.	.	H	α-helix	trans	-80.6	-23.3	179.2	-85	-174.9	180	-163.7	-2.9	114.2	S1219 Q1220 N1225	S1219-R1223 WeakPolarHBondContact O-CG 3.3Å; S1219-R1223 PolarHBondContact O-N 3.35Å; S1219-R1223 VanDerWaalsContact O-N 3.12Å; Q1220-R1223 PolarHBondContact O-N 3.31Å; R1223-N1225 PolarHBondContact O-N 3.11Å
1224	S	27.1	Very low	31.5	Very low	101 Å²	101	86 Å²	86	71%	0.706	43%	0.434	S	S	*	.	S	Bend	trans	-77.2	-9.5	171.3	54.5	0	0	0	0	113.1
1225	N	23.9	Very low	31.1	Very low	97 Å²	97	87.3 Å²	87.3	52%	0.519	44%	0.44	S	S	.	.			trans	-108.5	54.6	173.1	-69.8	-9.4	0	0	0	110	N1222 R1223 H1227	N1222-N1225 PolarHBondContact O-N 2.78Å; R1223-N1225 PolarHBondContact O-N 3.11Å; N1225-H1227 PolarHBondContact O-N 2.89Å
1226	I	26.9	Very low	30.6	Very low	122 Å²	122	90.5 Å²	90.5	63%	0.626	45%	0.453	S	S	*	.			trans	-68.5	75.6	154	-59.2	169	0	0	0	105.6
1227	H	22.2	Very low	30.1	Very low	132 Å²	132	93.5 Å²	93.5	61%	0.611	47%	0.469	S	S	*	.			trans	-96.4	92	155.7	-84.6	-63.8	0	0	0	105.7	N1225	N1225-H1227 PolarHBondContact O-N 2.89Å
1228	I	28.2	Very low	29.2	Very low	14 Å²	14	89.7 Å²	89.7	7%	0.072	46%	0.459	C	S	.	.			trans	-122.4	0	149.1	-57.5	169.6	0	0	0	104.7	A388 Y606 A608 Y610	A388-I1228 WeakPolarHBondContact CB-O 3.43Å; Y606-I1228 HydrophobicContact CD1-CD1 3.92Å; Y606-I1228 HydrophobicContact CD2-CD1 3.13Å; Y606-I1228 HydrophobicContact CD2-CG1 4.04Å; Y606-I1228 HydrophobicContact CE1-CD1 3.76Å; Y606-I1228 HydrophobicContact CE1-CG1 4.34Å; Y606-I1228 HydrophobicContact CE2-CD1 2.95Å; Y606-I1228 HydrophobicContact CE2-CG1 3.35Å; Y606-I1228 HydrophobicContact CG-CD1 3.63Å; A608-I1228 HydrophobicContact CB-CB 4.46Å; A608-I1228 HydrophobicContact CB-CD1 4.27Å; A608-I1228 HydrophobicContact CB-CG2 3.19Å; Y610-I1228 WeakPolarHBondContact OH-CA 3.41Å; Y610-I1228 VanDerWaalsContact OH-CG2 3.22Å; Y610-I1228 WeakPolarHBondContact OH-CG2 3.41Å; Y610-I1228 PolarHBondContact OH-OXT 3.04Å

Retrieved 1,228 of 1,228 residues in 440.2 ms (Link to these results)

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