A0A087YG51_POEFO Loading...

MutS protein homolog 5

Involved in DNA mismatch repair and meiotic recombination processes. Facilitates crossovers between homologs during meiosis.

AlphaFold DB , UniProt , Accession A0A087YG51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 818 aa.

						>A0A087YG51_POEFO|A0A087YG51
MAATLEDPRGAIGFRDPDSNLDEEEEDDTAAVLLSVLVQRGQLGLCFYDSGDSSLHYMVDSPDNYELHLLSRVIQEVRPHVILTSAKQERCLTQYLQQLGSDPHYKPEVVTYPYVDFGLEVGKQRLLSAHLPFLPPCISERDKMSYLSSCITFDSPLMLRAVGALLKCLDRRRVGVELEDSTVGVPILQFHAYTLKEVVYIDRDTYSPSVLQIFKSDLHPSVYKLQSGEKEGLSLYGILNRCKSKFGSKLLRQWFLRPTRDLAVLYRRQEVIRFFTSPRNSDVLNTLQASLRNIRNIPGVLRRMTLSSTKVTDWQCLYKTVYSAVCIRDSMRHLPQSIQLFWEISEKLSEDLHYVAALINRVVDFDASLEESRFTVKPNVDPAIDEKKRRMMGLSDFLTDVARRELEHLDSRISSCCVIYLPLIGFLLSVPRLPSMVEKEDFEMEGFEFMFLSDDRLHYRSQRTRELDSLLGDLHCDIRDMETAVMTQLQSAVLEKSNSLYQVLDLLAELDCLMAMSSASQEYSYSSPKLARHRTIAITQGRHPLLELCSPVFVANSFQSSESEGRIKVITGPNSSGKSIFLKQVGLIVFMALIGSDVPAKEAEVGLVDGIFTRMQSRESVSVGLSTFMIDLNQMALALNSSTGSSLVLIDEFGKGTNTVDGLSLLAASVSFWLKKPLVDVPHVLLATNFHSLMQLGLLPTTGMLSFLTLETAVDRDELVFLYQLKEGICQSSYAANIAALAGLPTCLVHRAMEVSEHYRTGKPIKRIDKASSDEQAKRCQSVVQKFLSLDLEDKDVDLQSFMKDELLPSAGELLNRR
					

Structure Viewer

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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	31.2	Very low	26.1	Very low	244 Å²	244	147.8 Å²	147.8	100%	1.202	87%	0.868	S	S	*	*				0	78.6	0	-75.3	177.3	157.7	0	0	106.5
2	A	25.4	Very low	26.1	Very low	102 Å²	102	148.3 Å²	148.3	84%	0.843	86%	0.861	S	S	*	*				83.3	103.6	79.9	0	0	0	0	0	111.8
3	A	25.1	Very low	26	Very low	89 Å²	89	142.2 Å²	142.2	74%	0.736	85%	0.849	S	S	*	*			trans	172	97.8	140.8	0	0	0	0	0	107.6
4	T	27.4	Very low	25.9	Very low	129 Å²	129	145.6 Å²	145.6	79%	0.791	85%	0.848	S	S	*	*				59.6	114.4	82.1	59.4	0	0	0	0	114.8
5	L	27.4	Very low	25.8	Very low	166 Å²	166	151.7 Å²	151.7	87%	0.869	85%	0.851	S	S	*	*			trans	-179.7	84.2	151.2	-94.1	155.2	0	0	0	105.9
6	E	26.3	Very low	25.7	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	84%	0.841	S	S	*	*				63.4	95.5	94.5	-76	-168.1	166.5	0	0	114.6
7	D	24.3	Very low	25.6	Very low	173 Å²	173	147.8 Å²	147.8	93%	0.925	83%	0.833	S	S	*	*			trans	-84.7	130.3	159.3	-91	-36.6	0	0	0	109.9
8	P	27.2	Very low	25.5	Very low	107 Å²	107	147.3 Å²	147.3	70%	0.695	83%	0.828	S	S	*	*			trans	-113.7	133.9	163.6	34	-22	0	0	0	111.7
9	R	26.2	Very low	25.5	Very low	250 Å²	250	143.2 Å²	143.2	94%	0.943	81%	0.81	S	S	*	*			trans	131.2	98.4	163.8	-74.5	168.4	-149.5	-158.2	7.7	107.9
10	G	22.8	Very low	25.4	Very low	82 Å²	82	143.3 Å²	143.3	85%	0.845	81%	0.808	S	S	*	*			cis	92.9	66.3	38.4	0	0	0	0	0	110.2
11	A	24.5	Very low	25.4	Very low	103 Å²	103	143.9 Å²	143.9	85%	0.851	81%	0.809	S	S	*	*			trans	-127.9	108.5	163.3	0	0	0	0	0	108	G13	A11-G13 PolarHBondContact O-N 3.09Å
12	I	25.6	Very low	25.4	Very low	153 Å²	153	137.1 Å²	137.1	79%	0.785	78%	0.778	S	S	*	*			trans	-78	110.4	-176.2	-66	160.5	0	0	0	107.7	F14	I12-F14 HydrophobicContact CG2-CD2 4.18Å; I12-F14 HydrophobicContact CG2-CE2 4.2Å
13	G	24.5	Very low	25.6	Very low	69 Å²	69	140.7 Å²	140.7	71%	0.711	78%	0.777	S	S	*	*			trans	-93.3	109.4	165	0	0	0	0	0	109.3	A11 R15	A11-G13 PolarHBondContact O-N 3.09Å; G13-R15 PolarHBondContact O-N 3.24Å
14	F	25.2	Very low	25.7	Very low	190 Å²	190	145.5 Å²	145.5	83%	0.833	78%	0.784	S	S	*	*			trans	-58.4	117.7	167.4	-86.2	-99.3	0	0	0	109	I12	I12-F14 HydrophobicContact CG2-CD2 4.18Å; I12-F14 HydrophobicContact CG2-CE2 4.2Å
15	R	23.9	Very low	26.1	Very low	237 Å²	237	143.6 Å²	143.6	89%	0.894	77%	0.766	S	S	*	*			trans	-86.4	113.1	164.8	-92.4	-179.6	169.5	177.6	-4.7	107.6	G13	G13-R15 PolarHBondContact O-N 3.24Å
16	D	24.7	Very low	26.4	Very low	127 Å²	127	143.7 Å²	143.7	68%	0.679	76%	0.762	S	S	*	*			trans	-65.4	136.3	162.9	-79.6	-34.9	0	0	0	109.2	D18	D16-D18 PolarHBondContact O-N 3.25Å
17	P	23.6	Very low	26.8	Very low	110 Å²	110	142.2 Å²	142.2	71%	0.714	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-73.1	-8.3	-179.7	-13.3	28.9	0	0	0	114.5
18	D	24.5	Very low	27.6	Very low	139 Å²	139	139 Å²	139	74%	0.743	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-88.4	-1.6	-172	-77	-15.3	0	0	0	114.6	D16 N20	D16-D18 PolarHBondContact O-N 3.25Å; D18-N20 VanDerWaalsContact C-N 3.29Å; D18-N20 PolarHBondContact O-N 2.79Å
19	S	25.8	Very low	28.7	Very low	69 Å²	69	139.7 Å²	139.7	48%	0.483	75%	0.745	S	S	.	*	G	3₁₀ helix	trans	-81.3	0.5	-177	69.1	0	0	0	0	115.2
20	N	23.3	Very low	30.4	Very low	145 Å²	145	130 Å²	130	78%	0.775	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-88.6	-0.2	-175.5	-74.6	-14	0	0	0	114.1	D18	D18-N20 VanDerWaalsContact C-N 3.29Å; D18-N20 PolarHBondContact O-N 2.79Å
21	L	25.8	Very low	32.9	Very low	157 Å²	157	127.2 Å²	127.2	82%	0.822	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-97.8	1.2	176.3	-72.7	166.3	0	0	0	113.4
22	D	31.2	Very low	35.7	Very low	102 Å²	102	123.1 Å²	123.1	55%	0.545	65%	0.652	S	S	.	*	S	Bend	trans	-102	-1.9	-171.1	-71.5	-27.6	0	0	0	114.6
23	E	28.3	Very low	38.6	Very low	176 Å²	176	115.9 Å²	115.9	82%	0.822	62%	0.615	S	S	*	*	S	Bend	trans	-105.3	2.4	-174.5	-69.7	-166.3	166.6	0	0	115.6
24	E	27.8	Very low	41.7	Very low	191 Å²	191	112.6 Å²	112.6	89%	0.893	58%	0.581	S	S	*	*			trans	-118.8	40.2	177.6	-66.3	-172.6	177.4	0	0	113.1	E26	E24-E26 PolarHBondContact O-N 3.24Å
25	E	35.3	Very low	44.8	Very low	88 Å²	88	103.6 Å²	103.6	41%	0.411	54%	0.541	S	S	.	.			trans	-79.4	105.5	153.4	-75.6	-175.2	162.1	0	0	106.4	D27 K245	E25-D27 PolarHBondContact O-N 2.9Å; E25-K245 IonicContact OE2-NZ 3.47Å; E25-K245 PolarHBondContact OE2-NZ 2.88Å
26	E	33.4	Very low	47.9	Very low	168 Å²	168	92.4 Å²	92.4	79%	0.785	50%	0.499	S	S	*	.			trans	-44.1	109.6	166.4	-73.8	173.1	146.8	0	0	108.2	E24 D28	E24-E26 PolarHBondContact O-N 3.24Å; E26-D28 PolarHBondContact O-N 3.11Å
27	D	35.6	Very low	50.8	Low	151 Å²	151	86.7 Å²	86.7	81%	0.807	47%	0.469	S	S	*	.			trans	-61.6	83.8	163.1	-94.6	-22.9	0	0	0	106	E25 T29	E25-D27 PolarHBondContact O-N 2.9Å; D27-T29 VanDerWaalsContact C-N 3.26Å; D27-T29 PolarHBondContact O-N 3.06Å
28	D	41.3	Very low	53.7	Low	105 Å²	105	81.8 Å²	81.8	56%	0.561	44%	0.437	S	S	*	.			trans	-50.4	102.6	157.5	-116.4	0.8	0	0	0	104.4	E26 A30	E26-D28 PolarHBondContact O-N 3.11Å; D28-A30 PolarHBondContact O-N 3.46Å
29	T	49.9	Very low	56.5	Low	122 Å²	122	77.6 Å²	77.6	75%	0.748	41%	0.413	S	S	*	.			trans	-57.1	99.5	-169.7	43.4	0	0	0	0	108.7	D27 A31	D27-T29 VanDerWaalsContact C-N 3.26Å; D27-T29 PolarHBondContact O-N 3.06Å; T29-A31 PolarHBondContact O-N 3.46Å
30	A	61.7	Low	59.1	Low	45 Å²	45	85.8 Å²	85.8	37%	0.372	43%	0.433	S	S	.	.			trans	-63.5	106	-178	0	0	0	0	0	107.7	D28 H80	D28-A30 PolarHBondContact O-N 3.46Å; A30-H80 PolarHBondContact O-CE1 2.82Å; A30-H80 VanDerWaalsContact O-CE1 3.28Å
31	A	75.1	Confident	61.6	Low	25 Å²	25	80.3 Å²	80.3	21%	0.207	41%	0.412	C	S	.	.			trans	-92.7	124.4	-177.6	0	0	0	0	0	108.4	T29 L33 S50	T29-A31 PolarHBondContact O-N 3.46Å; A31-L33 HydrophobicContact CB-CD1 4.36Å; A31-S50 PolarHBondContact N-OG 3.02Å; A31-S50 WeakPolarHBondContact O-CB 3.36Å; A31-S50 PolarHBondContact O-N 2.7Å; A31-S50 VanDerWaalsContact O-N 3.15Å; A31-S50 PolarHBondContact O-OG 2.86Å
32	V	84.1	Confident	64.4	Low	16 Å²	16	77.2 Å²	77.2	10%	0.097	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.4	174.2	-174.4	0	0	0	0	109.5	F47 Y48 D49 V77 H80 V81	V32-F47 HydrophobicContact CG1-CB 4.24Å; V32-F47 HydrophobicContact CG1-CD2 3.85Å; V32-F47 HydrophobicContact CG1-CG 4.39Å; V32-Y48 WeakPolarHBondContact CA-O 3.34Å; V32-D49 HydrophobicContact CG2-CB 4.49Å; V32-V77 HydrophobicContact CB-CG1 4.39Å; V32-V77 HydrophobicContact CG1-CG1 3.41Å; V32-V77 VanDerWaalsContact CG1-CG1 3.41Å; V32-H80 PolarHBondContact N-ND1 3.06Å; V32-H80 PolarHBondContact O-N 3.08Å; V32-V81 PolarHBondContact O-N 2.74Å
33	L	86.3	Confident	67	Low	2 Å²	2	72.4 Å²	72.4	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.4	177.7	-68.6	89.9	0	0	0	109.3	A31 F47 Y48 V81 L165 L169 V174	A31-L33 HydrophobicContact CB-CD1 4.36Å; L33-F47 CarbonylContact O-C 3.59Å; L33-F47 WeakPolarHBondContact O-CA 3.2Å; L33-F47 VanDerWaalsContact O-CB 3.28Å; L33-F47 WeakPolarHBondContact O-CB 3.41Å; L33-Y48 PolarHBondContact N-O 3.19Å; L33-Y48 PolarHBondContact O-N 2.82Å; L33-V81 HydrophobicContact CD2-CB 4.31Å; L33-V81 HydrophobicContact CD2-CG2 4.49Å; L33-V81 HydrophobicContact CG-CB 4.1Å; L33-V81 HydrophobicContact CG-CG2 4.35Å; L33-L165 HydrophobicContact CB-CD1 3.78Å; L33-L165 WeakPolarHBondContact O-CD1 2.97Å; L33-L169 HydrophobicContact CD1-CD2 4.29Å; L33-L169 HydrophobicContact CD2-CD2 4.37Å; L33-V174 HydrophobicContact CD1-CB 4.34Å; L33-V174 HydrophobicContact CD1-CG1 3.82Å; L33-V174 HydrophobicContact CD1-CG2 3.88Å; L33-V174 HydrophobicContact CD2-CG2 3.93Å
34	L	89.4	Confident	69.8	Low	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.6	-179.2	173.2	68.6	0	0	0	110	V36 L45 C46 F47 I74 P79 V81 I82 L83	L34-V36 HydrophobicContact CD1-CG2 4.01Å; L34-V36 HydrophobicContact CD2-CG2 3.76Å; L34-V36 HydrophobicContact CG-CG2 3.7Å; L34-L45 HydrophobicContact CD1-CB 4.26Å; L34-L45 HydrophobicContact CD1-CD1 4.33Å; L34-C46 CarbonylContact C-O 3.56Å; L34-F47 HydrophobicContact CB-CB 4.14Å; L34-F47 HydrophobicContact CD1-CB 3.81Å; L34-F47 HydrophobicContact CD1-CD1 4.28Å; L34-I74 HydrophobicContact CD2-CG1 3.96Å; L34-P79 HydrophobicContact CB-CB 3.63Å; L34-P79 HydrophobicContact CB-CG 4.04Å; L34-P79 HydrophobicContact CD2-CB 4.36Å; L34-P79 HydrophobicContact CD2-CG 3.82Å; L34-V81 PolarHBondContact N-O 3.43Å; L34-I82 CarbonylContact O-C 3.58Å; L34-I82 WeakPolarHBondContact O-CA 3.45Å; L34-L83 PolarHBondContact O-N 2.83Å
35	S	89.3	Confident	72.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.3	167	-171.8	0	0	0	0	111	L45 C46 L83 A161	S35-L45 VanDerWaalsContact O-CA 3.29Å; S35-L45 WeakPolarHBondContact O-CA 3.4Å; S35-C46 PolarHBondContact N-O 2.76Å; S35-C46 PolarHBondContact O-N 2.78Å; S35-L83 WeakPolarHBondContact CA-O 3.2Å; S35-A161 WeakPolarHBondContact CB-O 3.18Å; S35-A161 PolarHBondContact OG-O 3.24Å
36	V	89.6	Confident	75.2	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136	-175.2	167.9	0	0	0	0	110.7	L34 V38 L43 L45 L70 L83 L92	L34-V36 HydrophobicContact CD1-CG2 4.01Å; L34-V36 HydrophobicContact CD2-CG2 3.76Å; L34-V36 HydrophobicContact CG-CG2 3.7Å; V36-V38 HydrophobicContact CG1-CG2 4.48Å; V36-L43 HydrophobicContact CG1-CD1 3.69Å; V36-L45 HydrophobicContact CG2-CB 4.03Å; V36-L70 HydrophobicContact CB-CD1 4.4Å; V36-L70 HydrophobicContact CG1-CD1 3.86Å; V36-L70 HydrophobicContact CG1-CD2 4.07Å; V36-L70 HydrophobicContact CG2-CD1 3.62Å; V36-L83 PolarHBondContact N-O 2.83Å; V36-L92 HydrophobicContact CG1-CD1 4.14Å; V36-L92 HydrophobicContact CG1-CD2 4.44Å
37	L	86.4	Confident	77.9	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.3	171.2	-79.5	174.6	0	0	0	110.9	G44 F117 R160 A161	L37-G44 PolarHBondContact N-O 3.44Å; L37-G44 PolarHBondContact O-N 2.79Å; L37-F117 HydrophobicContact CD1-CB 4.37Å; L37-F117 HydrophobicContact CD1-CD1 3.45Å; L37-F117 VanDerWaalsContact CD1-CD1 3.45Å; L37-F117 HydrophobicContact CD1-CE1 4.04Å; L37-F117 HydrophobicContact CD1-CG 4.24Å; L37-F117 HydrophobicContact CD2-CD1 3.78Å; L37-F117 HydrophobicContact CD2-CE1 3.9Å; L37-F117 HydrophobicContact CD2-CG 4.26Å; L37-F117 HydrophobicContact CG-CD1 3.77Å; L37-F117 HydrophobicContact CG-CE1 3.88Å; L37-R160 HydrophobicContact CD1-CB 3.44Å; L37-R160 VanDerWaalsContact CD1-CB 3.44Å; L37-A161 HydrophobicContact CD1-CB 4.49Å
38	V	84.3	Confident	80.3	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.2	171.9	-177.6	0	0	0	0	109	V36 Q42 L43 L67 L92	V36-V38 HydrophobicContact CG1-CG2 4.48Å; V38-Q42 WeakPolarHBondContact CA-O 3.27Å; V38-L43 HydrophobicContact CG2-CD1 3.66Å; V38-L67 HydrophobicContact CG1-CD2 4.22Å; V38-L67 HydrophobicContact CG2-CD2 4.03Å; V38-L92 HydrophobicContact CB-CD2 4.5Å; V38-L92 HydrophobicContact CG2-CD1 4.21Å; V38-L92 HydrophobicContact CG2-CD2 4.27Å
39	Q	82.9	Confident	82.3	Confident	52 Å²	52	31.9 Å²	31.9	24%	0.243	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.1	171.8	-66.1	-170.3	-12.3	0	0	110.4	G41 Q42 E89 L157	Q39-G41 PolarHBondContact O-N 2.84Å; Q39-Q42 PolarHBondContact N-O 2.91Å; Q39-Q42 PolarHBondContact O-N 2.96Å; Q39-E89 WeakPolarHBondContact CA-OE1 2.91Å; Q39-L157 HydrophobicContact CB-CD1 4.27Å; Q39-L157 HydrophobicContact CB-CD2 3.84Å; Q39-L157 HydrophobicContact CG-CD2 3.86Å
40	R	79.9	Confident	83.5	Confident	240 Å²	240	26.3 Å²	26.3	91%	0.906	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	36.9	177.2	-57	-180	177.6	-179.4	-1.2	113.3	Q42 E89	R40-Q42 PolarHBondContact O-N 2.83Å; R40-E89 PolarHBondContact N-OE1 2.91Å
41	G	76.1	Confident	83.9	Confident	31 Å²	31	25 Å²	25	32%	0.32	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	10.5	-177.3	0	0	0	0	0	114.9	Q39 D63	Q39-G41 PolarHBondContact O-N 2.84Å; G41-D63 PolarHBondContact O-N 3.26Å
42	Q	84.8	Confident	83.7	Confident	92 Å²	92	25.2 Å²	25.2	43%	0.43	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.5	168.1	-66.9	-177	-22.9	0	0	110	V38 Q39 R40 L157	V38-Q42 WeakPolarHBondContact CA-O 3.27Å; Q39-Q42 PolarHBondContact N-O 2.91Å; Q39-Q42 PolarHBondContact O-N 2.96Å; R40-Q42 PolarHBondContact O-N 2.83Å; Q42-L157 HydrophobicContact CB-CD1 3.63Å
43	L	85.8	Confident	83.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.5	178.6	173.8	64.7	0	0	0	109.2	V36 V38 L45 M58 S61 D63 L69 L70	V36-L43 HydrophobicContact CG1-CD1 3.69Å; V38-L43 HydrophobicContact CG2-CD1 3.66Å; L43-L45 HydrophobicContact CD2-CD2 4.01Å; L43-L45 HydrophobicContact CG-CD2 4.16Å; L43-M58 HydrophobicContact CD2-CE 4.12Å; L43-M58 HydrophobicContact CG-CE 4.05Å; L43-S61 PolarHBondContact N-O 3.05Å; L43-S61 PolarHBondContact O-N 2.96Å; L43-D63 HydrophobicContact CB-CB 4.11Å; L43-D63 HydrophobicContact CD2-CB 4.48Å; L43-L69 HydrophobicContact CD2-CB 4.38Å; L43-L69 HydrophobicContact CD2-CD2 3.57Å; L43-L70 HydrophobicContact CD1-CD1 4.38Å; L43-L70 HydrophobicContact CD2-CB 3.84Å
44	G	86.1	Confident	83	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.1	166.8	0	0	0	0	0	109.3	L37	L37-G44 PolarHBondContact N-O 3.44Å; L37-G44 PolarHBondContact O-N 2.79Å
45	L	88.2	Confident	82.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.4	179.9	65.1	88.7	0	0	0	112.2	L34 S35 V36 L43 F47 M58 V73	L34-L45 HydrophobicContact CD1-CB 4.26Å; L34-L45 HydrophobicContact CD1-CD1 4.33Å; S35-L45 VanDerWaalsContact O-CA 3.29Å; S35-L45 WeakPolarHBondContact O-CA 3.4Å; V36-L45 HydrophobicContact CG2-CB 4.03Å; L43-L45 HydrophobicContact CD2-CD2 4.01Å; L43-L45 HydrophobicContact CG-CD2 4.16Å; L45-F47 HydrophobicContact CD1-CD1 4.49Å; L45-M58 HydrophobicContact CD1-CB 3.64Å; L45-M58 HydrophobicContact CD1-SD 4.32Å; L45-M58 HydrophobicContact CD2-CE 3.3Å; L45-M58 HydrophobicContact CD2-SD 3.79Å; L45-M58 HydrophobicContact CG-CB 3.75Å; L45-M58 HydrophobicContact CG-CE 3.66Å; L45-M58 HydrophobicContact CG-CG 4.49Å; L45-M58 HydrophobicContact CG-SD 4.06Å; L45-M58 PolarHBondContact O-N 3.31Å; L45-V73 HydrophobicContact CD1-CG1 4.12Å; L45-V73 HydrophobicContact CD2-CB 4.25Å; L45-V73 HydrophobicContact CD2-CG1 4.09Å; L45-V73 HydrophobicContact CD2-CG2 3.88Å
46	C	89.9	Confident	82.7	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	136.8	178.3	179.4	0	0	0	0	108.8	L34 S35 L55 H56 A161 V162 L165	L34-C46 CarbonylContact C-O 3.56Å; S35-C46 PolarHBondContact N-O 2.76Å; S35-C46 PolarHBondContact O-N 2.78Å; C46-L55 WeakPolarHBondContact SG-CD2 3.06Å; C46-H56 CarbonylContact C-O 3.56Å; C46-H56 VanDerWaalsContact CA-O 3.25Å; C46-H56 WeakPolarHBondContact CA-O 3.45Å; C46-H56 PolarHBondContact SG-O 2.93Å; C46-H56 VanDerWaalsContact SG-O 3.33Å; C46-A161 HydrophobicContact CB-CB 4.25Å; C46-V162 HydrophobicContact CB-CG2 3.85Å; C46-V162 VanDerWaalsContact SG-CG2 3.58Å; C46-L165 HydrophobicContact CB-CD2 4.26Å; C46-L165 WeakPolarHBondContact SG-CD2 3.47Å
47	F	89.1	Confident	82.6	Confident	12 Å²	12	27 Å²	27	5%	0.053	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.4	173.3	64.8	-88.7	0	0	0	112.6	V32 L33 L34 L45 H56 V77 Y193	V32-F47 HydrophobicContact CG1-CB 4.24Å; V32-F47 HydrophobicContact CG1-CD2 3.85Å; V32-F47 HydrophobicContact CG1-CG 4.39Å; L33-F47 CarbonylContact O-C 3.59Å; L33-F47 WeakPolarHBondContact O-CA 3.2Å; L33-F47 VanDerWaalsContact O-CB 3.28Å; L33-F47 WeakPolarHBondContact O-CB 3.41Å; L34-F47 HydrophobicContact CB-CB 4.14Å; L34-F47 HydrophobicContact CD1-CB 3.81Å; L34-F47 HydrophobicContact CD1-CD1 4.28Å; L45-F47 HydrophobicContact CD1-CD1 4.49Å; F47-H56 HydrophobicContact CD1-CB 3.82Å; F47-H56 HydrophobicContact CD2-CB 3.93Å; F47-H56 HydrophobicContact CE1-CB 3.39Å; F47-H56 HydrophobicContact CE2-CB 3.52Å; F47-H56 AromaticContact CE2-CG 3.41Å; F47-H56 VanDerWaalsContact CE2-CG 3.41Å; F47-H56 AromaticContact CE2-ND1 3.38Å; F47-H56 WeakPolarHBondContact CE2-ND1 3.15Å; F47-H56 HydrophobicContact CG-CB 4.07Å; F47-H56 HydrophobicContact CZ-CB 3.23Å; F47-H56 AromaticContact CZ-CD2 3.8Å; F47-H56 AromaticContact CZ-CG 3.36Å; F47-H56 AromaticContact CZ-ND1 3.84Å; F47-H56 PolarHBondContact N-O 2.97Å; F47-H56 PolarHBondContact O-N 2.8Å; F47-V77 HydrophobicContact CD1-CG1 4.48Å; F47-V77 HydrophobicContact CD1-CG2 4.33Å; F47-V77 HydrophobicContact CD2-CG1 3.97Å; F47-V77 HydrophobicContact CE1-CG2 3.91Å; F47-V77 HydrophobicContact CE2-CG1 4.16Å; F47-V77 HydrophobicContact CE2-CG2 4.38Å; F47-V77 HydrophobicContact CG-CG1 4.14Å; F47-V77 HydrophobicContact CZ-CG1 4.49Å; F47-V77 HydrophobicContact CZ-CG2 3.93Å; F47-Y193 AromaticContact CE1-CD2 3.42Å; F47-Y193 HydrophobicContact CE1-CD2 3.42Å; F47-Y193 VanDerWaalsContact CE1-CD2 3.42Å; F47-Y193 AromaticContact CE1-CE2 3.61Å; F47-Y193 HydrophobicContact CE1-CE2 3.61Å; F47-Y193 HydrophobicContact CE1-CG 4.16Å; F47-Y193 AromaticContact CZ-CD2 3.68Å; F47-Y193 HydrophobicContact CZ-CD2 3.68Å; F47-Y193 AromaticContact CZ-CE2 3.82Å; F47-Y193 HydrophobicContact CZ-CE2 3.82Å
48	Y	86.6	Confident	82.6	Confident	1 Å²	1	26.9 Å²	26.9	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.1	176.9	179.7	-98.8	0	0	0	109	V32 L33 S53 S54 L55 L169 V185 P186 I187	V32-Y48 WeakPolarHBondContact CA-O 3.34Å; L33-Y48 PolarHBondContact N-O 3.19Å; L33-Y48 PolarHBondContact O-N 2.82Å; Y48-S53 WeakPolarHBondContact OH-CA 3.46Å; Y48-S53 WeakPolarHBondContact OH-CB 3.36Å; Y48-S53 PolarHBondContact OH-OG 3.15Å; Y48-S54 WeakPolarHBondContact CA-O 3.46Å; Y48-L55 HydrophobicContact CD2-CB 4.39Å; Y48-L169 HydrophobicContact CD1-CD1 4.04Å; Y48-L169 HydrophobicContact CD1-CD2 3.48Å; Y48-L169 VanDerWaalsContact CD1-CD2 3.48Å; Y48-L169 HydrophobicContact CD1-CG 4.43Å; Y48-L169 HydrophobicContact CD2-CD1 3.9Å; Y48-L169 HydrophobicContact CE1-CD1 4.48Å; Y48-L169 HydrophobicContact CE1-CD2 3.97Å; Y48-L169 HydrophobicContact CE2-CD1 4.36Å; Y48-L169 HydrophobicContact CG-CD1 3.71Å; Y48-L169 HydrophobicContact CG-CD2 3.94Å; Y48-L169 HydrophobicContact CG-CG 4.48Å; Y48-V185 HydrophobicContact CE1-CG1 4.13Å; Y48-V185 WeakPolarHBondContact OH-CG1 3.35Å; Y48-P186 PolarHBondContact OH-O 2.95Å; Y48-I187 HydrophobicContact CE2-CG1 4.08Å
49	D	83	Confident	82.6	Confident	16 Å²	16	29.7 Å²	29.7	9%	0.086	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.5	171.6	-174.8	-10.3	0	0	0	108.5	V32 G51 S53 S54 K249	V32-D49 HydrophobicContact CG2-CB 4.49Å; D49-G51 PolarHBondContact O-N 2.87Å; D49-G51 PolarHBondContact OD1-N 3.39Å; D49-S53 VanDerWaalsContact O-CA 3.24Å; D49-S53 WeakPolarHBondContact O-CA 2.87Å; D49-S53 PolarHBondContact O-N 2.7Å; D49-S54 PolarHBondContact N-O 3.46Å; D49-S54 PolarHBondContact O-N 2.96Å; D49-K249 IonicContact OD2-NZ 3.66Å; D49-K249 PolarHBondContact OD2-NZ 2.95Å
50	S	75.1	Confident	82.6	Confident	5 Å²	5	28.5 Å²	28.5	4%	0.035	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-15.7	179.7	75.6	0	0	0	0	113.8	A31 R302	A31-S50 PolarHBondContact N-OG 3.02Å; A31-S50 WeakPolarHBondContact O-CB 3.36Å; A31-S50 PolarHBondContact O-N 2.7Å; A31-S50 VanDerWaalsContact O-N 3.15Å; A31-S50 PolarHBondContact O-OG 2.86Å; S50-R302 PolarHBondContact O-NH1 3.15Å
51	G	69.2	Low	82.7	Confident	18 Å²	18	18.4 Å²	18.4	19%	0.186	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-46.3	177.2	0	0	0	0	0	112.1	D49	D49-G51 PolarHBondContact O-N 2.87Å; D49-G51 PolarHBondContact OD1-N 3.39Å
52	D	71	Confident	82.9	Confident	28 Å²	28	22 Å²	22	15%	0.15	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	0.2	-178.5	-58.7	-37.7	0	0	0	112.8	S54 K249 P298 Y501	D52-S54 PolarHBondContact O-N 2.94Å; D52-K249 IonicContact OD2-NZ 2.76Å; D52-K249 PolarHBondContact OD2-NZ 3.16Å; D52-P298 HydrophobicContact CB-CB 4.17Å; D52-P298 VanDerWaalsContact OD1-CB 3.31Å; D52-P298 WeakPolarHBondContact OD1-CB 3.25Å; D52-P298 WeakPolarHBondContact OD1-CG 3.44Å; D52-Y501 PolarHBondContact O-OH 2.82Å
53	S	75.9	Confident	82.4	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	34.8	-172.7	-69.5	0	0	0	0	113.4	Y48 D49 P186 L188	Y48-S53 WeakPolarHBondContact OH-CA 3.46Å; Y48-S53 WeakPolarHBondContact OH-CB 3.36Å; Y48-S53 PolarHBondContact OH-OG 3.15Å; D49-S53 VanDerWaalsContact O-CA 3.24Å; D49-S53 WeakPolarHBondContact O-CA 2.87Å; D49-S53 PolarHBondContact O-N 2.7Å; S53-P186 WeakPolarHBondContact CB-O 3.49Å; S53-L188 PolarHBondContact O-N 3.28Å
54	S	81.3	Confident	81.7	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.2	-174.9	61.2	0	0	0	0	111.9	Y48 D49 D52 H56	Y48-S54 WeakPolarHBondContact CA-O 3.46Å; D49-S54 PolarHBondContact N-O 3.46Å; D49-S54 PolarHBondContact O-N 2.96Å; D52-S54 PolarHBondContact O-N 2.94Å; S54-H56 PolarHBondContact OG-CE1 2.77Å
55	L	85.3	Confident	80.7	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.9	177.1	-171.2	153.7	0	0	0	109.6	C46 Y48 Y57 V162 L165 L166 I187 Q189 F190 H191	C46-L55 WeakPolarHBondContact SG-CD2 3.06Å; Y48-L55 HydrophobicContact CD2-CB 4.39Å; L55-Y57 HydrophobicContact CD2-CD1 4.48Å; L55-V162 HydrophobicContact CD1-CG1 4.38Å; L55-L165 HydrophobicContact CD1-CD2 4.4Å; L55-L165 HydrophobicContact CG-CD2 4.5Å; L55-L166 HydrophobicContact CD1-CD2 4.24Å; L55-I187 HydrophobicContact CB-CG2 4.03Å; L55-I187 HydrophobicContact CD1-CD1 4.07Å; L55-Q189 PolarHBondContact N-O 3.04Å; L55-F190 HydrophobicContact CB-CD1 4.12Å; L55-F190 HydrophobicContact CB-CE1 4.25Å; L55-F190 HydrophobicContact CD1-CE1 4.27Å; L55-F190 HydrophobicContact CD2-CD1 3.96Å; L55-F190 HydrophobicContact CD2-CE1 4.19Å; L55-F190 HydrophobicContact CG-CD1 4.5Å; L55-F190 HydrophobicContact CG-CE1 4.48Å; L55-F190 WeakPolarHBondContact O-CA 3.45Å; L55-H191 PolarHBondContact O-N 3.33Å
56	H	86.7	Confident	79.6	Confident	33 Å²	33	40.5 Å²	40.5	15%	0.153	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.8	177.8	-66.2	79.4	0	0	0	110.2	C46 F47 S54 H191	C46-H56 CarbonylContact C-O 3.56Å; C46-H56 VanDerWaalsContact CA-O 3.25Å; C46-H56 WeakPolarHBondContact CA-O 3.45Å; C46-H56 PolarHBondContact SG-O 2.93Å; C46-H56 VanDerWaalsContact SG-O 3.33Å; F47-H56 HydrophobicContact CD1-CB 3.82Å; F47-H56 HydrophobicContact CD2-CB 3.93Å; F47-H56 HydrophobicContact CE1-CB 3.39Å; F47-H56 HydrophobicContact CE2-CB 3.52Å; F47-H56 AromaticContact CE2-CG 3.41Å; F47-H56 VanDerWaalsContact CE2-CG 3.41Å; F47-H56 AromaticContact CE2-ND1 3.38Å; F47-H56 WeakPolarHBondContact CE2-ND1 3.15Å; F47-H56 HydrophobicContact CG-CB 4.07Å; F47-H56 HydrophobicContact CZ-CB 3.23Å; F47-H56 AromaticContact CZ-CD2 3.8Å; F47-H56 AromaticContact CZ-CG 3.36Å; F47-H56 AromaticContact CZ-ND1 3.84Å; F47-H56 PolarHBondContact N-O 2.97Å; F47-H56 PolarHBondContact O-N 2.8Å; S54-H56 PolarHBondContact OG-CE1 2.77Å; H56-H191 CarbonylContact C-O 3.56Å; H56-H191 VanDerWaalsContact CA-O 3.27Å; H56-H191 WeakPolarHBondContact CA-O 3.29Å; H56-H191 WeakPolarHBondContact CD2-CB 3.36Å; H56-H191 AromaticContact CE1-CD2 3.96Å; H56-H191 AromaticContact NE2-CD2 3.68Å; H56-H191 AromaticContact NE2-CG 3.88Å
57	Y	87.7	Confident	78.9	Confident	22 Å²	22	40.7 Å²	40.7	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.2	-178.9	67.1	-93.2	0	0	0	111.4	L55 C150 I151 M158 F190 H191 A192 Y193	L55-Y57 HydrophobicContact CD2-CD1 4.48Å; Y57-C150 WeakPolarHBondContact CE1-O 3.42Å; Y57-C150 PolarHBondContact OH-O 3.11Å; Y57-I151 HydrophobicContact CD1-CG1 4.15Å; Y57-I151 HydrophobicContact CE1-CG1 3.91Å; Y57-M158 HydrophobicContact CD2-CG 4.35Å; Y57-M158 HydrophobicContact CD2-SD 3.28Å; Y57-M158 WeakPolarHBondContact CD2-SD 3.35Å; Y57-M158 HydrophobicContact CE2-SD 4.05Å; Y57-M158 HydrophobicContact CG-SD 3.97Å; Y57-F190 HydrophobicContact CE1-CB 4.45Å; Y57-H191 WeakPolarHBondContact CD1-O 3.49Å; Y57-H191 PolarHBondContact N-O 3.01Å; Y57-A192 HydrophobicContact CE1-CB 4.5Å; Y57-A192 HydrophobicContact CE2-CB 4.18Å; Y57-Y193 WeakPolarHBondContact O-CB 3.46Å; Y57-Y193 PolarHBondContact O-N 2.85Å
58	M	86.3	Confident	78.1	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.6	174.1	-172.5	-179.8	83.7	0	0	109.9	L43 L45 L69 M158 Y193	L43-M58 HydrophobicContact CD2-CE 4.12Å; L43-M58 HydrophobicContact CG-CE 4.05Å; L45-M58 HydrophobicContact CD1-CB 3.64Å; L45-M58 HydrophobicContact CD1-SD 4.32Å; L45-M58 HydrophobicContact CD2-CE 3.3Å; L45-M58 HydrophobicContact CD2-SD 3.79Å; L45-M58 HydrophobicContact CG-CB 3.75Å; L45-M58 HydrophobicContact CG-CE 3.66Å; L45-M58 HydrophobicContact CG-CG 4.49Å; L45-M58 HydrophobicContact CG-SD 4.06Å; L45-M58 PolarHBondContact O-N 3.31Å; M58-L69 HydrophobicContact CE-CD2 3.4Å; M58-L69 HydrophobicContact SD-CD2 3.73Å; M58-M158 WeakPolarHBondContact O-CB 2.83Å; M58-M158 WeakPolarHBondContact O-CG 3.48Å; M58-Y193 HydrophobicContact CB-CD1 4.36Å; M58-Y193 HydrophobicContact CG-CD1 4.4Å; M58-Y193 WeakPolarHBondContact CG-O 3.36Å; M58-Y193 HydrophobicContact SD-CD1 4.18Å
59	V	84.4	Confident	77.7	Confident	66 Å²	66	44 Å²	44	40%	0.4	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	145.3	175.9	-173.8	0	0	0	0	109.8	S61	V59-S61 PolarHBondContact O-N 3.45Å; V59-S61 PolarHBondContact O-OG 3.43Å
60	D	83.2	Confident	77.6	Confident	28 Å²	28	43.3 Å²	43.3	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.1	109.4	-179.7	-63.1	2.2	0	0	0	111.1	S155 P156 L157 M158	D60-S155 WeakPolarHBondContact OD1-CB 3.36Å; D60-P156 WeakPolarHBondContact OD2-CD 3.48Å; D60-L157 WeakPolarHBondContact OD1-CB 3.22Å; D60-L157 PolarHBondContact OD1-N 3.21Å; D60-L157 PolarHBondContact OD2-N 3.26Å; D60-M158 WeakPolarHBondContact OD1-CB 3.39Å; D60-M158 PolarHBondContact OD1-N 3.49Å
61	S	81.4	Confident	77.7	Confident	28 Å²	28	44 Å²	44	20%	0.196	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.2	-174.8	-64.1	0	0	0	0	109.9	L43 V59 D63	L43-S61 PolarHBondContact N-O 3.05Å; L43-S61 PolarHBondContact O-N 2.96Å; V59-S61 PolarHBondContact O-N 3.45Å; V59-S61 PolarHBondContact O-OG 3.43Å; S61-D63 PolarHBondContact O-N 3.14Å
62	P	79.2	Confident	78	Confident	107 Å²	107	45.1 Å²	45.1	70%	0.695	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.5	175.4	28.4	-33.1	0	0	0	109.8
63	D	75.5	Confident	78.5	Confident	18 Å²	18	43.8 Å²	43.8	10%	0.096	22%	0.22	C	C	.	.			trans	-125.7	153.8	174	-159	-2.6	0	0	0	109.7	G41 L43 S61 L67 H68 L69 L70	G41-D63 PolarHBondContact O-N 3.26Å; L43-D63 HydrophobicContact CB-CB 4.11Å; L43-D63 HydrophobicContact CD2-CB 4.48Å; S61-D63 PolarHBondContact O-N 3.14Å; D63-L67 HydrophobicContact CB-CD2 4.33Å; D63-L67 VanDerWaalsContact OD2-CA 3.3Å; D63-L67 WeakPolarHBondContact OD2-CA 3.33Å; D63-H68 PolarHBondContact OD1-N 3.25Å; D63-L69 HydrophobicContact CB-CB 4.31Å; D63-L69 VanDerWaalsContact CG-CB 3.45Å; D63-L69 WeakPolarHBondContact OD1-CB 3.41Å; D63-L69 PolarHBondContact OD1-N 3.29Å; D63-L69 VanDerWaalsContact OD1-N 3.08Å; D63-L69 WeakPolarHBondContact OD2-CB 3.28Å; D63-L69 PolarHBondContact OD2-N 3.39Å; D63-L70 PolarHBondContact OD2-N 2.8Å
64	N	70.6	Confident	78.9	Confident	113 Å²	113	44 Å²	44	60%	0.604	22%	0.221	S	C	*	.			trans	-73.8	163.4	178	-70.1	-16.6	0	0	0	110.4	E66 L67	N64-E66 PolarHBondContact O-N 3.15Å; N64-L67 PolarHBondContact O-N 2.66Å
65	Y	65.4	Low	78.5	Confident	212 Å²	212	47.2 Å²	47.2	83%	0.831	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.3	177.2	-73.9	-78	0	0	0	114	C91	Y65-C91 WeakPolarHBondContact O-CB 3.48Å
66	E	64.4	Low	78.1	Confident	137 Å²	137	48.5 Å²	48.5	64%	0.64	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.4	177.2	-66	-179.2	166.6	0	0	113.9	N64 H68	N64-E66 PolarHBondContact O-N 3.15Å; E66-H68 PolarHBondContact O-N 2.76Å; E66-H68 IonicContact OE2-CD2 3.66Å; E66-H68 IonicContact OE2-CE1 2.74Å; E66-H68 IonicContact OE2-NE2 3.51Å; E66-H68 PolarHBondContact OE2-NE2 3.44Å
67	L	76.5	Confident	77.7	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	24%	0.242	C	C	.	.			trans	56.7	45.6	176.3	-57.8	175.6	0	0	0	114.7	V38 D63 N64 L69 L70 S71 C91 L92 Y95	V38-L67 HydrophobicContact CG1-CD2 4.22Å; V38-L67 HydrophobicContact CG2-CD2 4.03Å; D63-L67 HydrophobicContact CB-CD2 4.33Å; D63-L67 VanDerWaalsContact OD2-CA 3.3Å; D63-L67 WeakPolarHBondContact OD2-CA 3.33Å; N64-L67 PolarHBondContact O-N 2.66Å; L67-L69 VanDerWaalsContact C-N 3.27Å; L67-L69 PolarHBondContact O-N 3.04Å; L67-L70 HydrophobicContact CB-CB 4.09Å; L67-L70 HydrophobicContact CB-CD2 4.48Å; L67-L70 HydrophobicContact CD1-CD2 4.15Å; L67-L70 PolarHBondContact O-N 3.02Å; L67-S71 PolarHBondContact O-N 2.9Å; L67-C91 HydrophobicContact CD1-CB 4.41Å; L67-L92 HydrophobicContact CD1-CB 4.2Å; L67-L92 HydrophobicContact CD1-CD1 3.97Å; L67-Y95 HydrophobicContact CD1-CD1 4.47Å; L67-Y95 HydrophobicContact CD1-CG 4.32Å
68	H	72.1	Confident	77.2	Confident	44 Å²	44	54.6 Å²	54.6	20%	0.204	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-32	178.7	-73.5	-69.8	0	0	0	112.8	D63 E66 S71 R72	D63-H68 PolarHBondContact OD1-N 3.25Å; E66-H68 PolarHBondContact O-N 2.76Å; E66-H68 IonicContact OE2-CD2 3.66Å; E66-H68 IonicContact OE2-CE1 2.74Å; E66-H68 IonicContact OE2-NE2 3.51Å; E66-H68 PolarHBondContact OE2-NE2 3.44Å; H68-S71 PolarHBondContact O-OG 3.31Å; H68-R72 WeakPolarHBondContact O-CB 3.5Å; H68-R72 PolarHBondContact O-N 2.81Å; H68-R72 VanDerWaalsContact O-N 3.17Å
69	L	76.8	Confident	77.2	Confident	39 Å²	39	54.4 Å²	54.4	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-72.9	-40.9	178.7	-165.2	141	0	0	0	110.9	L43 M58 D63 L67 R72 V73 L195	L43-L69 HydrophobicContact CD2-CB 4.38Å; L43-L69 HydrophobicContact CD2-CD2 3.57Å; M58-L69 HydrophobicContact CE-CD2 3.4Å; M58-L69 HydrophobicContact SD-CD2 3.73Å; D63-L69 HydrophobicContact CB-CB 4.31Å; D63-L69 VanDerWaalsContact CG-CB 3.45Å; D63-L69 WeakPolarHBondContact OD1-CB 3.41Å; D63-L69 PolarHBondContact OD1-N 3.29Å; D63-L69 VanDerWaalsContact OD1-N 3.08Å; D63-L69 WeakPolarHBondContact OD2-CB 3.28Å; D63-L69 PolarHBondContact OD2-N 3.39Å; L67-L69 VanDerWaalsContact C-N 3.27Å; L67-L69 PolarHBondContact O-N 3.04Å; L69-R72 WeakPolarHBondContact O-CB 3.43Å; L69-R72 PolarHBondContact O-N 3.05Å; L69-V73 WeakPolarHBondContact O-CG2 3.31Å; L69-V73 PolarHBondContact O-N 2.63Å; L69-V73 VanDerWaalsContact O-N 3.14Å; L69-L195 HydrophobicContact CD1-CD1 4.17Å; L69-L195 HydrophobicContact CD2-CD1 3.85Å; L69-L195 HydrophobicContact CG-CD1 3.7Å
70	L	81.5	Confident	77.1	Confident	2 Å²	2	56 Å²	56	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-43.5	173	-179.4	59.5	0	0	0	112.2	V36 L43 D63 L67 R72 V73 I74 L92 Y95	V36-L70 HydrophobicContact CB-CD1 4.4Å; V36-L70 HydrophobicContact CG1-CD1 3.86Å; V36-L70 HydrophobicContact CG1-CD2 4.07Å; V36-L70 HydrophobicContact CG2-CD1 3.62Å; L43-L70 HydrophobicContact CD1-CD1 4.38Å; L43-L70 HydrophobicContact CD2-CB 3.84Å; D63-L70 PolarHBondContact OD2-N 2.8Å; L67-L70 HydrophobicContact CB-CB 4.09Å; L67-L70 HydrophobicContact CB-CD2 4.48Å; L67-L70 HydrophobicContact CD1-CD2 4.15Å; L67-L70 PolarHBondContact O-N 3.02Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 3.15Å; L70-V73 PolarHBondContact O-N 3.13Å; L70-I74 HydrophobicContact CD1-CD1 3.93Å; L70-I74 HydrophobicContact CD1-CG1 4.21Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 WeakPolarHBondContact O-CG1 3.38Å; L70-I74 PolarHBondContact O-N 2.99Å; L70-L92 HydrophobicContact CD2-CD1 3.49Å; L70-L92 VanDerWaalsContact CD2-CD1 3.49Å; L70-Y95 HydrophobicContact CD2-CD1 3.72Å; L70-Y95 HydrophobicContact CD2-CE1 3.71Å; L70-Y95 HydrophobicContact CG-CD1 4.42Å; L70-Y95 HydrophobicContact CG-CE1 3.91Å
71	S	77.5	Confident	77.2	Confident	19 Å²	19	55.1 Å²	55.1	13%	0.133	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-38.4	-179.5	73.9	0	0	0	0	112.3	L67 H68 I74 Q75 Y95	L67-S71 PolarHBondContact O-N 2.9Å; H68-S71 PolarHBondContact O-OG 3.31Å; S71-I74 PolarHBondContact O-N 2.87Å; S71-Q75 WeakPolarHBondContact O-CB 3.24Å; S71-Q75 WeakPolarHBondContact O-CG 3.42Å; S71-Q75 PolarHBondContact O-N 2.85Å; S71-Y95 WeakPolarHBondContact CA-OH 3.08Å; S71-Y95 WeakPolarHBondContact CB-OH 3.21Å
72	R	75.2	Confident	77.5	Confident	42 Å²	42	54 Å²	54	16%	0.158	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-48.1	172.3	-173.5	-179.3	-174.7	171.1	11.9	112.2	H68 L69 L70 I74 Q75 E76 V198 V199	H68-R72 WeakPolarHBondContact O-CB 3.5Å; H68-R72 PolarHBondContact O-N 2.81Å; H68-R72 VanDerWaalsContact O-N 3.17Å; L69-R72 WeakPolarHBondContact O-CB 3.43Å; L69-R72 PolarHBondContact O-N 3.05Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 3.15Å; R72-I74 VanDerWaalsContact C-N 3.34Å; R72-I74 PolarHBondContact O-N 2.92Å; R72-Q75 PolarHBondContact O-N 3.3Å; R72-E76 WeakPolarHBondContact O-CB 3.32Å; R72-E76 PolarHBondContact O-N 3.21Å; R72-V198 PolarHBondContact NH1-O 2.81Å; R72-V198 VanDerWaalsContact NH2-CB 3.27Å; R72-V198 PolarHBondContact NH2-O 2.88Å; R72-V198 VanDerWaalsContact NH2-O 3.12Å; R72-V199 PolarHBondContact NH2-O 2.99Å
73	V	82.3	Confident	77.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-42.2	-179.9	175.2	0	0	0	0	111.3	L45 L69 L70 E76 V77 Y193 L195	L45-V73 HydrophobicContact CD1-CG1 4.12Å; L45-V73 HydrophobicContact CD2-CB 4.25Å; L45-V73 HydrophobicContact CD2-CG1 4.09Å; L45-V73 HydrophobicContact CD2-CG2 3.88Å; L69-V73 WeakPolarHBondContact O-CG2 3.31Å; L69-V73 PolarHBondContact O-N 2.63Å; L69-V73 VanDerWaalsContact O-N 3.14Å; L70-V73 PolarHBondContact O-N 3.13Å; V73-E76 PolarHBondContact O-N 3.26Å; V73-V77 HydrophobicContact CG1-CG2 4.02Å; V73-V77 VanDerWaalsContact O-CB 3.3Å; V73-V77 WeakPolarHBondContact O-CB 3.31Å; V73-V77 WeakPolarHBondContact O-CG2 3.42Å; V73-V77 PolarHBondContact O-N 3.27Å; V73-Y193 HydrophobicContact CG2-CE1 3.81Å; V73-L195 HydrophobicContact CG2-CD1 3.78Å
74	I	83.2	Confident	78.4	Confident	5 Å²	5	48 Å²	48	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-40.6	178.5	-68.4	170.8	0	0	0	111.4	L34 L70 S71 R72 E76 R78 P79 I82 Y95 L99 Y105	L34-I74 HydrophobicContact CD2-CG1 3.96Å; L70-I74 HydrophobicContact CD1-CD1 3.93Å; L70-I74 HydrophobicContact CD1-CG1 4.21Å; L70-I74 HydrophobicContact CG-CD1 3.87Å; L70-I74 WeakPolarHBondContact O-CG1 3.38Å; L70-I74 PolarHBondContact O-N 2.99Å; S71-I74 PolarHBondContact O-N 2.87Å; R72-I74 VanDerWaalsContact C-N 3.34Å; R72-I74 PolarHBondContact O-N 2.92Å; I74-E76 PolarHBondContact O-N 2.84Å; I74-R78 VanDerWaalsContact O-CA 3.25Å; I74-R78 WeakPolarHBondContact O-CA 3.48Å; I74-R78 PolarHBondContact O-N 3.38Å; I74-P79 HydrophobicContact CG2-CG 4.46Å; I74-I82 HydrophobicContact CD1-CD1 4.07Å; I74-I82 HydrophobicContact CG1-CD1 4.46Å; I74-Y95 HydrophobicContact CD1-CE1 3.79Å; I74-L99 HydrophobicContact CD1-CD1 3.7Å; I74-L99 HydrophobicContact CG2-CD2 4.15Å; I74-Y105 HydrophobicContact CG2-CE1 3.75Å
75	Q	74.6	Confident	79.1	Confident	69 Å²	69	42.7 Å²	42.7	32%	0.322	19%	0.189	S	C	.	.	H	α-helix	trans	-61.7	-37.4	176	-75.7	171.3	14.1	0	0	112.2	S71 R72 R78	S71-Q75 WeakPolarHBondContact O-CB 3.24Å; S71-Q75 WeakPolarHBondContact O-CG 3.42Å; S71-Q75 PolarHBondContact O-N 2.85Å; R72-Q75 PolarHBondContact O-N 3.3Å; Q75-R78 WeakPolarHBondContact O-CG 3.5Å
76	E	75	Confident	79.8	Confident	28 Å²	28	36.1 Å²	36.1	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-79	-47.9	-176	-150.3	-156.6	123.2	0	0	112.9	R72 V73 I74 Y193 L256 R257	R72-E76 WeakPolarHBondContact O-CB 3.32Å; R72-E76 PolarHBondContact O-N 3.21Å; V73-E76 PolarHBondContact O-N 3.26Å; I74-E76 PolarHBondContact O-N 2.84Å; E76-Y193 PolarHBondContact OE2-OH 3.07Å; E76-L256 HydrophobicContact CG-CB 3.86Å; E76-L256 HydrophobicContact CG-CD1 4.16Å; E76-R257 IonicContact OE1-CZ 3.63Å; E76-R257 IonicContact OE1-NE 3.69Å; E76-R257 PolarHBondContact OE1-NE 2.88Å; E76-R257 IonicContact OE1-NH2 2.75Å; E76-R257 PolarHBondContact OE1-NH2 3.22Å; E76-R257 WeakPolarHBondContact OE2-CG 2.99Å; E76-R257 IonicContact OE2-CZ 3.75Å; E76-R257 IonicContact OE2-NE 2.7Å; E76-R257 PolarHBondContact OE2-NE 3.25Å; E76-R257 IonicContact OE2-NH2 2.97Å
77	V	78.2	Confident	80.5	Confident	25 Å²	25	37.1 Å²	37.1	15%	0.152	18%	0.181	C	C	.	.	H	α-helix	trans	-83.2	-25.9	-174.4	178.3	0	0	0	0	111.3	V32 F47 V73 Y193	V32-V77 HydrophobicContact CB-CG1 4.39Å; V32-V77 HydrophobicContact CG1-CG1 3.41Å; V32-V77 VanDerWaalsContact CG1-CG1 3.41Å; F47-V77 HydrophobicContact CD1-CG1 4.48Å; F47-V77 HydrophobicContact CD1-CG2 4.33Å; F47-V77 HydrophobicContact CD2-CG1 3.97Å; F47-V77 HydrophobicContact CE1-CG2 3.91Å; F47-V77 HydrophobicContact CE2-CG1 4.16Å; F47-V77 HydrophobicContact CE2-CG2 4.38Å; F47-V77 HydrophobicContact CG-CG1 4.14Å; F47-V77 HydrophobicContact CZ-CG1 4.49Å; F47-V77 HydrophobicContact CZ-CG2 3.93Å; V73-V77 HydrophobicContact CG1-CG2 4.02Å; V73-V77 VanDerWaalsContact O-CB 3.3Å; V73-V77 WeakPolarHBondContact O-CB 3.31Å; V73-V77 WeakPolarHBondContact O-CG2 3.42Å; V73-V77 PolarHBondContact O-N 3.27Å; V77-Y193 HydrophobicContact CG2-CE2 4.22Å
78	R	79.1	Confident	80.4	Confident	158 Å²	158	39.3 Å²	39.3	60%	0.596	19%	0.191	S	C	*	.			trans	41.4	59.6	-172.8	-69	-171.7	169.3	177.8	-5.5	112.3	I74 Q75 Y105	I74-R78 VanDerWaalsContact O-CA 3.25Å; I74-R78 WeakPolarHBondContact O-CA 3.48Å; I74-R78 PolarHBondContact O-N 3.38Å; Q75-R78 WeakPolarHBondContact O-CG 3.5Å; R78-Y105 HydrophobicContact CB-CE2 4.27Å
79	P	84.8	Confident	80.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.			trans	-59.3	145.5	-177.1	27	-36.9	0	0	0	112.6	L34 I74 I82 Y105	L34-P79 HydrophobicContact CB-CB 3.63Å; L34-P79 HydrophobicContact CB-CG 4.04Å; L34-P79 HydrophobicContact CD2-CB 4.36Å; L34-P79 HydrophobicContact CD2-CG 3.82Å; I74-P79 HydrophobicContact CG2-CG 4.46Å; P79-I82 HydrophobicContact CB-CG1 4.27Å; P79-I82 HydrophobicContact CG-CD1 4.06Å; P79-I82 HydrophobicContact CG-CG1 3.83Å; P79-Y105 WeakPolarHBondContact CD-OH 3.44Å; P79-Y105 WeakPolarHBondContact CG-OH 3.42Å; P79-Y105 VanDerWaalsContact N-OH 3.14Å; P79-Y105 PolarHBondContact O-OH 3.37Å
80	H	83.3	Confident	80.8	Confident	99 Å²	99	49 Å²	49	46%	0.458	23%	0.226	S	C	.	.	S	Bend	trans	-81.8	-37.6	175	-65.3	69.2	0	0	0	110.5	A30 V32 E108	A30-H80 PolarHBondContact O-CE1 2.82Å; A30-H80 VanDerWaalsContact O-CE1 3.28Å; V32-H80 PolarHBondContact N-ND1 3.06Å; V32-H80 PolarHBondContact O-N 3.08Å; H80-E108 PolarHBondContact O-N 3.28Å
81	V	84.4	Confident	80.7	Confident	10 Å²	10	50.2 Å²	50.2	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.5	-179.5	-173.8	0	0	0	0	109.5	V32 L33 L34 L83 E108 V110	V32-V81 PolarHBondContact O-N 2.74Å; L33-V81 HydrophobicContact CD2-CB 4.31Å; L33-V81 HydrophobicContact CD2-CG2 4.49Å; L33-V81 HydrophobicContact CG-CB 4.1Å; L33-V81 HydrophobicContact CG-CG2 4.35Å; L34-V81 PolarHBondContact N-O 3.43Å; V81-L83 HydrophobicContact CG1-CD2 3.76Å; V81-E108 CarbonylContact C-O 3.46Å; V81-E108 VanDerWaalsContact CA-O 3.31Å; V81-E108 WeakPolarHBondContact CA-O 3.41Å; V81-E108 HydrophobicContact CG2-CB 4.35Å; V81-V110 HydrophobicContact CG1-CG2 3.71Å
82	I	87.5	Confident	80.9	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.015	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.2	174.5	-59.2	176.9	0	0	0	109.2	L34 I74 P79 L96 P107 E108 V109 V110	L34-I82 CarbonylContact O-C 3.58Å; L34-I82 WeakPolarHBondContact O-CA 3.45Å; I74-I82 HydrophobicContact CD1-CD1 4.07Å; I74-I82 HydrophobicContact CG1-CD1 4.46Å; P79-I82 HydrophobicContact CB-CG1 4.27Å; P79-I82 HydrophobicContact CG-CD1 4.06Å; P79-I82 HydrophobicContact CG-CG1 3.83Å; I82-L96 HydrophobicContact CG2-CD2 4.22Å; I82-P107 HydrophobicContact CD1-CB 3.9Å; I82-P107 HydrophobicContact CD1-CG 3.67Å; I82-P107 HydrophobicContact CG1-CB 4.08Å; I82-P107 HydrophobicContact CG1-CG 4.39Å; I82-E108 PolarHBondContact N-O 3.39Å; I82-V109 CarbonylContact O-C 3.58Å; I82-V109 WeakPolarHBondContact O-CA 3.49Å; I82-V110 PolarHBondContact O-N 3.27Å
83	L	86.9	Confident	81.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.5	-179.7	-49.1	174.6	0	0	0	110.1	L34 S35 V36 V81 V110 Y112 L165 C168	L34-L83 PolarHBondContact O-N 2.83Å; S35-L83 WeakPolarHBondContact CA-O 3.2Å; V36-L83 PolarHBondContact N-O 2.83Å; V81-L83 HydrophobicContact CG1-CD2 3.76Å; L83-V110 WeakPolarHBondContact CA-O 3.48Å; L83-V110 HydrophobicContact CD2-CB 3.72Å; L83-V110 HydrophobicContact CD2-CG1 4.27Å; L83-V110 HydrophobicContact CD2-CG2 4.14Å; L83-Y112 HydrophobicContact CD2-CE2 4.02Å; L83-L165 HydrophobicContact CD1-CD1 3.83Å; L83-C168 HydrophobicContact CD1-CB 3.35Å; L83-C168 HydrophobicContact CD2-CB 4.16Å; L83-C168 VanDerWaalsContact CD2-SG 3.53Å; L83-C168 HydrophobicContact CG-CB 4.38Å
84	T	87.6	Confident	80.9	Confident	1 Å²	1	56 Å²	56	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.9	179.2	-176.4	0	0	0	0	111.5	Q88 L96 V109 V110 T111 Y112 F117	T84-Q88 PolarHBondContact OG1-NE2 2.87Å; T84-Q88 PolarHBondContact OG1-OE1 3.4Å; T84-L96 HydrophobicContact CG2-CD1 4Å; T84-V109 HydrophobicContact CG2-CG1 4.1Å; T84-V110 PolarHBondContact N-O 2.94Å; T84-T111 HydrophobicContact CG2-CG2 3.95Å; T84-T111 CarbonylContact O-C 3.56Å; T84-T111 VanDerWaalsContact O-CA 3.31Å; T84-T111 WeakPolarHBondContact O-CA 3.33Å; T84-Y112 PolarHBondContact O-N 3.35Å; T84-F117 VanDerWaalsContact C-CZ 3.47Å
85	S	85	Confident	80.8	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	156	-179.1	169.3	0	0	0	0	111.6	K87 Q88 Y112	S85-K87 PolarHBondContact O-N 3.5Å; S85-K87 PolarHBondContact OG-N 2.95Å; S85-Q88 VanDerWaalsContact O-CD 3.23Å; S85-Q88 WeakPolarHBondContact O-CG 3.41Å; S85-Q88 PolarHBondContact O-NE2 3.27Å; S85-Y112 CarbonylContact C-O 3.52Å; S85-Y112 WeakPolarHBondContact CA-O 3.46Å
86	A	79.6	Confident	81.1	Confident	74 Å²	74	54.9 Å²	54.9	61%	0.612	26%	0.259	S	S	*	.	S	Bend	trans	-69.3	-22	168.9	0	0	0	0	0	112.6	Y112	A86-Y112 PolarHBondContact N-O 3.24Å
87	K	78.8	Confident	81.2	Confident	157 Å²	157	59.5 Å²	59.5	68%	0.683	28%	0.28	S	S	*	.	S	Bend	trans	-108.9	78.4	-178.3	-159.6	178	-173.2	179.6	0	109.7	S85 Y114	S85-K87 PolarHBondContact O-N 3.5Å; S85-K87 PolarHBondContact OG-N 2.95Å; K87-Y114 HydrophobicContact CB-CD2 4.06Å; K87-Y114 HydrophobicContact CB-CG 4.46Å; K87-Y114 HydrophobicContact CD-CD2 4.49Å
88	Q	76.3	Confident	81.1	Confident	50 Å²	50	64.7 Å²	64.7	23%	0.234	30%	0.303	C	S	.	.			trans	-102.9	160.4	-176.7	-47.6	178.2	28.4	0	0	111.9	T84 S85 L92	T84-Q88 PolarHBondContact OG1-NE2 2.87Å; T84-Q88 PolarHBondContact OG1-OE1 3.4Å; S85-Q88 VanDerWaalsContact O-CD 3.23Å; S85-Q88 WeakPolarHBondContact O-CG 3.41Å; S85-Q88 PolarHBondContact O-NE2 3.27Å; Q88-L92 HydrophobicContact CB-CD2 4.3Å; Q88-L92 HydrophobicContact CG-CD2 4.32Å
89	E	78.4	Confident	80.9	Confident	67 Å²	67	58.1 Å²	58.1	31%	0.313	28%	0.279	S	S	.	.			trans	-72.7	149.8	166.3	-64.8	-169.7	166.5	0	0	111.1	Q39 R40 C91 L92 T93	Q39-E89 WeakPolarHBondContact CA-OE1 2.91Å; R40-E89 PolarHBondContact N-OE1 2.91Å; E89-C91 VanDerWaalsContact CB-SG 3.58Å; E89-C91 PolarHBondContact O-N 2.71Å; E89-L92 PolarHBondContact O-N 2.83Å; E89-L92 VanDerWaalsContact O-N 3.17Å; E89-T93 PolarHBondContact O-N 2.94Å; E89-T93 PolarHBondContact O-OG1 3.04Å
90	R	77.6	Confident	80.1	Confident	220 Å²	220	59.8 Å²	59.8	83%	0.83	30%	0.297	S	S	*	.	H	α-helix	trans	-59.1	-33.1	-176.4	-71.9	-175.4	177.8	174.1	-0.7	113	T93 Q94	R90-T93 PolarHBondContact O-N 2.75Å; R90-Q94 WeakPolarHBondContact O-CG 3.37Å; R90-Q94 PolarHBondContact O-N 3.19Å
91	C	78.7	Confident	79.1	Confident	26 Å²	26	59.8 Å²	59.8	18%	0.176	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-46.9	176.9	49.9	0	0	0	0	111.9	Y65 L67 E89 T93 Q94 Y95	Y65-C91 WeakPolarHBondContact O-CB 3.48Å; L67-C91 HydrophobicContact CD1-CB 4.41Å; E89-C91 VanDerWaalsContact CB-SG 3.58Å; E89-C91 PolarHBondContact O-N 2.71Å; C91-T93 PolarHBondContact O-N 3.38Å; C91-Q94 PolarHBondContact O-N 2.91Å; C91-Y95 WeakPolarHBondContact O-CB 3.4Å; C91-Y95 PolarHBondContact O-N 3.44Å
92	L	82	Confident	78.2	Confident	4 Å²	4	61 Å²	61	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-39.4	179.4	-174.4	63.9	0	0	0	111.7	V36 V38 L67 L70 Q88 E89 Y95 L96	V36-L92 HydrophobicContact CG1-CD1 4.14Å; V36-L92 HydrophobicContact CG1-CD2 4.44Å; V38-L92 HydrophobicContact CB-CD2 4.5Å; V38-L92 HydrophobicContact CG2-CD1 4.21Å; V38-L92 HydrophobicContact CG2-CD2 4.27Å; L67-L92 HydrophobicContact CD1-CB 4.2Å; L67-L92 HydrophobicContact CD1-CD1 3.97Å; L70-L92 HydrophobicContact CD2-CD1 3.49Å; L70-L92 VanDerWaalsContact CD2-CD1 3.49Å; Q88-L92 HydrophobicContact CB-CD2 4.3Å; Q88-L92 HydrophobicContact CG-CD2 4.32Å; E89-L92 PolarHBondContact O-N 2.83Å; E89-L92 VanDerWaalsContact O-N 3.17Å; L92-Y95 PolarHBondContact O-N 3.45Å; L92-L96 HydrophobicContact CD1-CD1 4.38Å; L92-L96 HydrophobicContact CD1-CG 4.38Å; L92-L96 HydrophobicContact CG-CD1 4.07Å; L92-L96 HydrophobicContact CG-CG 4.47Å; L92-L96 WeakPolarHBondContact O-CB 3.41Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 3.3Å
93	T	80.6	Confident	76.7	Confident	56 Å²	56	65.5 Å²	65.5	34%	0.344	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-44	177.7	-50.1	0	0	0	0	112	E89 R90 C91 Y95 L96 Q97	E89-T93 PolarHBondContact O-N 2.94Å; E89-T93 PolarHBondContact O-OG1 3.04Å; R90-T93 PolarHBondContact O-N 2.75Å; C91-T93 PolarHBondContact O-N 3.38Å; T93-Y95 VanDerWaalsContact C-N 3.35Å; T93-L96 PolarHBondContact O-N 3.37Å; T93-Q97 VanDerWaalsContact O-CG 3.29Å; T93-Q97 WeakPolarHBondContact O-CG 3.47Å; T93-Q97 PolarHBondContact O-N 3.45Å
94	Q	78	Confident	75.3	Confident	123 Å²	123	71.7 Å²	71.7	58%	0.575	37%	0.373	S	S	*	.	H	α-helix	trans	-63	-42.9	176	-75.4	177.9	-20	0	0	111.5	R90 C91 Q97 Q98	R90-Q94 WeakPolarHBondContact O-CG 3.37Å; R90-Q94 PolarHBondContact O-N 3.19Å; C91-Q94 PolarHBondContact O-N 2.91Å; Q94-Q97 PolarHBondContact O-N 3.36Å; Q94-Q98 WeakPolarHBondContact O-CG 3.47Å; Q94-Q98 PolarHBondContact O-N 2.9Å
95	Y	80.2	Confident	74.5	Confident	31 Å²	31	74.1 Å²	74.1	12%	0.122	38%	0.382	C	S	.	.	H	α-helix	trans	-63.1	-45	178.3	-179.5	-104	0	0	0	112.5	L67 L70 S71 I74 C91 L92 T93 Q97 Q98 L99	L67-Y95 HydrophobicContact CD1-CD1 4.47Å; L67-Y95 HydrophobicContact CD1-CG 4.32Å; L70-Y95 HydrophobicContact CD2-CD1 3.72Å; L70-Y95 HydrophobicContact CD2-CE1 3.71Å; L70-Y95 HydrophobicContact CG-CD1 4.42Å; L70-Y95 HydrophobicContact CG-CE1 3.91Å; S71-Y95 WeakPolarHBondContact CA-OH 3.08Å; S71-Y95 WeakPolarHBondContact CB-OH 3.21Å; I74-Y95 HydrophobicContact CD1-CE1 3.79Å; C91-Y95 WeakPolarHBondContact O-CB 3.4Å; C91-Y95 PolarHBondContact O-N 3.44Å; L92-Y95 PolarHBondContact O-N 3.45Å; T93-Y95 VanDerWaalsContact C-N 3.35Å; Y95-Q97 VanDerWaalsContact C-N 3.32Å; Y95-Q97 PolarHBondContact O-N 3.05Å; Y95-Q98 WeakPolarHBondContact O-CB 3.17Å; Y95-Q98 PolarHBondContact O-N 3.44Å; Y95-L99 HydrophobicContact CD1-CD1 3.8Å; Y95-L99 HydrophobicContact CE1-CD1 3.16Å; Y95-L99 HydrophobicContact CE1-CG 4.22Å; Y95-L99 HydrophobicContact CE2-CD1 4.43Å; Y95-L99 PolarHBondContact O-N 2.95Å
96	L	81.8	Confident	73.9	Confident	19 Å²	19	82.1 Å²	82.1	10%	0.099	42%	0.416	C	S	.	.	H	α-helix	trans	-65.4	-33	176.5	-69.9	172.6	0	0	0	112.7	I82 T84 L92 T93 L99 G100 V109	I82-L96 HydrophobicContact CG2-CD2 4.22Å; T84-L96 HydrophobicContact CG2-CD1 4Å; L92-L96 HydrophobicContact CD1-CD1 4.38Å; L92-L96 HydrophobicContact CD1-CG 4.38Å; L92-L96 HydrophobicContact CG-CD1 4.07Å; L92-L96 HydrophobicContact CG-CG 4.47Å; L92-L96 WeakPolarHBondContact O-CB 3.41Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 3.3Å; T93-L96 PolarHBondContact O-N 3.37Å; L96-L99 HydrophobicContact CD2-CD1 4.33Å; L96-L99 PolarHBondContact O-N 2.88Å; L96-G100 PolarHBondContact O-N 2.95Å; L96-V109 HydrophobicContact CD1-CG1 4.26Å; L96-V109 HydrophobicContact CD2-CG2 4.48Å
97	Q	77.1	Confident	74	Confident	125 Å²	125	79.2 Å²	79.2	58%	0.584	39%	0.392	S	S	*	.	H	α-helix	trans	-67.2	-39.1	173.5	-75.7	173.9	-7.7	0	0	112.3	T93 Q94 Y95 G100 S101	T93-Q97 VanDerWaalsContact O-CG 3.29Å; T93-Q97 WeakPolarHBondContact O-CG 3.47Å; T93-Q97 PolarHBondContact O-N 3.45Å; Q94-Q97 PolarHBondContact O-N 3.36Å; Y95-Q97 VanDerWaalsContact C-N 3.32Å; Y95-Q97 PolarHBondContact O-N 3.05Å; Q97-G100 PolarHBondContact O-N 3.36Å; Q97-S101 PolarHBondContact O-N 3.13Å; Q97-S101 PolarHBondContact O-OG 2.91Å
98	Q	74.5	Confident	74.2	Confident	135 Å²	135	76.4 Å²	76.4	63%	0.631	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-45.1	174.3	-72.2	174.3	-4.5	0	0	111.1	Q94 Y95 G100 S101	Q94-Q98 WeakPolarHBondContact O-CG 3.47Å; Q94-Q98 PolarHBondContact O-N 2.9Å; Y95-Q98 WeakPolarHBondContact O-CB 3.17Å; Y95-Q98 PolarHBondContact O-N 3.44Å; Q98-G100 PolarHBondContact O-N 2.86Å; Q98-S101 WeakPolarHBondContact O-CB 3.05Å; Q98-S101 PolarHBondContact O-N 2.8Å; Q98-S101 VanDerWaalsContact O-N 3.14Å
99	L	75.5	Confident	74.6	Confident	19 Å²	19	77.1 Å²	77.1	10%	0.099	39%	0.388	C	S	.	.	H	α-helix	trans	-58.3	-45.1	174.2	-95.7	160.6	0	0	0	112.9	I74 Y95 L96 S101 D102 Y105	I74-L99 HydrophobicContact CD1-CD1 3.7Å; I74-L99 HydrophobicContact CG2-CD2 4.15Å; Y95-L99 HydrophobicContact CD1-CD1 3.8Å; Y95-L99 HydrophobicContact CE1-CD1 3.16Å; Y95-L99 HydrophobicContact CE1-CG 4.22Å; Y95-L99 HydrophobicContact CE2-CD1 4.43Å; Y95-L99 PolarHBondContact O-N 2.95Å; L96-L99 HydrophobicContact CD2-CD1 4.33Å; L96-L99 PolarHBondContact O-N 2.88Å; L99-S101 PolarHBondContact O-N 3.32Å; L99-S101 VanDerWaalsContact O-N 3.14Å; L99-D102 PolarHBondContact O-N 3.35Å; L99-Y105 HydrophobicContact CD2-CD1 4.2Å; L99-Y105 HydrophobicContact CD2-CE1 4.18Å
100	G	67.5	Low	74.8	Confident	36 Å²	36	75 Å²	75	37%	0.371	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.7	178.9	0	0	0	0	0	114.4	L96 Q97 Q98	L96-G100 PolarHBondContact O-N 2.95Å; Q97-G100 PolarHBondContact O-N 3.36Å; Q98-G100 PolarHBondContact O-N 2.86Å
101	S	63.3	Low	75.2	Confident	99 Å²	99	68.7 Å²	68.7	69%	0.692	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-6	178.4	-54.4	0	0	0	0	113.2	Q97 Q98 L99 P103	Q97-S101 PolarHBondContact O-N 3.13Å; Q97-S101 PolarHBondContact O-OG 2.91Å; Q98-S101 WeakPolarHBondContact O-CB 3.05Å; Q98-S101 PolarHBondContact O-N 2.8Å; Q98-S101 VanDerWaalsContact O-N 3.14Å; L99-S101 PolarHBondContact O-N 3.32Å; L99-S101 VanDerWaalsContact O-N 3.14Å; S101-P103 WeakPolarHBondContact O-CD 3.35Å
102	D	65.4	Low	75.4	Confident	34 Å²	34	68.3 Å²	68.3	18%	0.182	36%	0.361	C	S	.	.			trans	-74.9	121.2	177.8	-165.1	-23	0	0	0	109.8	L99 H104 R203	L99-D102 PolarHBondContact O-N 3.35Å; D102-H104 VanDerWaalsContact C-N 3.27Å; D102-H104 PolarHBondContact O-N 2.86Å; D102-H104 PolarHBondContact OD1-N 3.07Å; D102-H104 IonicContact OD1-ND1 3.23Å; D102-R203 IonicContact OD2-CZ 3.79Å; D102-R203 IonicContact OD2-NH1 3.63Å; D102-R203 PolarHBondContact OD2-NH1 3.39Å; D102-R203 IonicContact OD2-NH2 3.19Å; D102-R203 PolarHBondContact OD2-NH2 3.23Å
103	P	56.7	Low	75.5	Confident	98 Å²	98	71.5 Å²	71.5	64%	0.636	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.7	-177.2	24.9	-32.9	0	0	0	114.2	S101	S101-P103 WeakPolarHBondContact O-CD 3.35Å
104	H	56.4	Low	75.5	Confident	131 Å²	131	73.5 Å²	73.5	61%	0.606	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-18.2	-175.2	-65.6	87.3	0	0	0	114	D102	D102-H104 VanDerWaalsContact C-N 3.27Å; D102-H104 PolarHBondContact O-N 2.86Å; D102-H104 PolarHBondContact OD1-N 3.07Å; D102-H104 IonicContact OD1-ND1 3.23Å
105	Y	70.4	Confident	75.5	Confident	51 Å²	51	73 Å²	73	20%	0.2	39%	0.389	C	S	.	.			trans	-151.7	114.8	-175.6	173.9	-108	0	0	0	110.7	I74 R78 P79 L99 P107	I74-Y105 HydrophobicContact CG2-CE1 3.75Å; R78-Y105 HydrophobicContact CB-CE2 4.27Å; P79-Y105 WeakPolarHBondContact CD-OH 3.44Å; P79-Y105 WeakPolarHBondContact CG-OH 3.42Å; P79-Y105 VanDerWaalsContact N-OH 3.14Å; P79-Y105 PolarHBondContact O-OH 3.37Å; L99-Y105 HydrophobicContact CD2-CD1 4.2Å; L99-Y105 HydrophobicContact CD2-CE1 4.18Å; Y105-P107 HydrophobicContact CD1-CG 4.46Å; Y105-P107 HydrophobicContact CE1-CB 4.32Å; Y105-P107 HydrophobicContact CE1-CG 3.79Å
106	K	73.8	Confident	75.4	Confident	169 Å²	169	72.4 Å²	72.4	74%	0.735	39%	0.388	S	S	*	.			trans	-129	89.9	-176	-166.9	176.5	-175.6	177.9	0	111.3
107	P	81.1	Confident	75.3	Confident	14 Å²	14	71.5 Å²	71.5	9%	0.091	38%	0.383	C	S	.	.			trans	-73	151.5	176.6	29.2	-32.9	0	0	0	111.7	I82 Y105 V109	I82-P107 HydrophobicContact CD1-CB 3.9Å; I82-P107 HydrophobicContact CD1-CG 3.67Å; I82-P107 HydrophobicContact CG1-CB 4.08Å; I82-P107 HydrophobicContact CG1-CG 4.39Å; Y105-P107 HydrophobicContact CD1-CG 4.46Å; Y105-P107 HydrophobicContact CE1-CB 4.32Å; Y105-P107 HydrophobicContact CE1-CG 3.79Å; P107-V109 PolarHBondContact O-N 2.78Å
108	E	82.9	Confident	75.6	Confident	97 Å²	97	66.7 Å²	66.7	45%	0.453	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.9	171.8	-168	-166.1	162.3	0	0	109.6	H80 V81 I82 V110 R172	H80-E108 PolarHBondContact O-N 3.28Å; V81-E108 CarbonylContact C-O 3.46Å; V81-E108 VanDerWaalsContact CA-O 3.31Å; V81-E108 WeakPolarHBondContact CA-O 3.41Å; V81-E108 HydrophobicContact CG2-CB 4.35Å; I82-E108 PolarHBondContact N-O 3.39Å; E108-V110 HydrophobicContact CG-CG2 4.36Å; E108-R172 VanDerWaalsContact CD-NH2 3.27Å; E108-R172 IonicContact OE1-CZ 3.15Å; E108-R172 IonicContact OE1-NH1 3.11Å; E108-R172 IonicContact OE1-NH2 3.71Å; E108-R172 PolarHBondContact OE1-NH2 3.08Å; E108-R172 IonicContact OE2-CZ 3.69Å; E108-R172 IonicContact OE2-NH1 2.68Å; E108-R172 PolarHBondContact OE2-NH1 3.32Å; E108-R172 IonicContact OE2-NH2 3.98Å; E108-R172 PolarHBondContact OE2-NH2 3.38Å
109	V	83.8	Confident	75.9	Confident	65 Å²	65	62.3 Å²	62.3	39%	0.394	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.4	178.7	-176.5	0	0	0	0	110.1	I82 T84 L96 P107	I82-V109 CarbonylContact O-C 3.58Å; I82-V109 WeakPolarHBondContact O-CA 3.49Å; T84-V109 HydrophobicContact CG2-CG1 4.1Å; L96-V109 HydrophobicContact CD1-CG1 4.26Å; L96-V109 HydrophobicContact CD2-CG2 4.48Å; P107-V109 PolarHBondContact O-N 2.78Å
110	V	84.2	Confident	76.1	Confident	23 Å²	23	66.9 Å²	66.9	14%	0.139	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.6	-179.7	-174.9	0	0	0	0	110	V81 I82 L83 T84 E108 Y112	V81-V110 HydrophobicContact CG1-CG2 3.71Å; I82-V110 PolarHBondContact O-N 3.27Å; L83-V110 WeakPolarHBondContact CA-O 3.48Å; L83-V110 HydrophobicContact CD2-CB 3.72Å; L83-V110 HydrophobicContact CD2-CG1 4.27Å; L83-V110 HydrophobicContact CD2-CG2 4.14Å; T84-V110 PolarHBondContact N-O 2.94Å; E108-V110 HydrophobicContact CG-CG2 4.36Å; V110-Y112 HydrophobicContact CG1-CE1 4.14Å; V110-Y112 HydrophobicContact CG1-CE2 4.25Å
111	T	84.2	Confident	76.7	Confident	87 Å²	87	67.4 Å²	67.4	53%	0.534	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123	177.4	52.9	0	0	0	0	111.3	T84	T84-T111 HydrophobicContact CG2-CG2 3.95Å; T84-T111 CarbonylContact O-C 3.56Å; T84-T111 VanDerWaalsContact O-CA 3.31Å; T84-T111 WeakPolarHBondContact O-CA 3.33Å
112	Y	84.8	Confident	77.5	Confident	19 Å²	19	62.8 Å²	62.8	8%	0.075	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	152.6	172.8	-72.4	-52.5	0	0	0	112.8	L83 T84 S85 A86 V110 C168	L83-Y112 HydrophobicContact CD2-CE2 4.02Å; T84-Y112 PolarHBondContact O-N 3.35Å; S85-Y112 CarbonylContact C-O 3.52Å; S85-Y112 WeakPolarHBondContact CA-O 3.46Å; A86-Y112 PolarHBondContact N-O 3.24Å; V110-Y112 HydrophobicContact CG1-CE1 4.14Å; V110-Y112 HydrophobicContact CG1-CE2 4.25Å; Y112-C168 HydrophobicContact CE2-CB 3.93Å; Y112-C168 PolarHBondContact OH-SG 3.44Å; Y112-C168 VanDerWaalsContact OH-SG 3.33Å
113	P	82.4	Confident	78.2	Confident	71 Å²	71	63.7 Å²	63.7	46%	0.461	34%	0.335	S	S	.	.			trans	-55.3	145.4	173.2	-24.6	33.2	0	0	0	112.7	V115 D116	P113-V115 PolarHBondContact O-N 3.03Å; P113-V115 VanDerWaalsContact O-N 3.09Å; P113-D116 WeakPolarHBondContact CD-OD2 3.21Å; P113-D116 WeakPolarHBondContact O-CB 3.29Å; P113-D116 PolarHBondContact O-N 3.44Å
114	Y	80.3	Confident	79.3	Confident	98 Å²	98	65.4 Å²	65.4	38%	0.384	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-56.8	-30.4	-179.3	-178.5	-98.2	0	0	0	113.7	K87 D116 F117	K87-Y114 HydrophobicContact CB-CD2 4.06Å; K87-Y114 HydrophobicContact CB-CG 4.46Å; K87-Y114 HydrophobicContact CD-CD2 4.49Å; Y114-D116 PolarHBondContact O-N 3.35Å; Y114-F117 PolarHBondContact O-N 3.44Å
115	V	79.5	Confident	80.4	Confident	112 Å²	112	61.3 Å²	61.3	68%	0.679	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-59.4	-31	178.1	-175	0	0	0	0	111.8	P113 F117 G118	P113-V115 PolarHBondContact O-N 3.03Å; P113-V115 VanDerWaalsContact O-N 3.09Å; V115-F117 PolarHBondContact O-N 3.05Å; V115-G118 PolarHBondContact O-N 3.11Å
116	D	77.7	Confident	80.7	Confident	18 Å²	18	59 Å²	59	10%	0.096	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-73.7	-18.2	179.4	-71.1	-42.8	0	0	0	114	P113 Y114 G118 R125 K167	P113-D116 WeakPolarHBondContact CD-OD2 3.21Å; P113-D116 WeakPolarHBondContact O-CB 3.29Å; P113-D116 PolarHBondContact O-N 3.44Å; Y114-D116 PolarHBondContact O-N 3.35Å; D116-G118 VanDerWaalsContact C-N 3.3Å; D116-R125 PolarHBondContact O-NH1 3.34Å; D116-R125 VanDerWaalsContact O-NH1 3.15Å; D116-R125 IonicContact OD1-NH2 2.77Å; D116-R125 PolarHBondContact OD1-NH2 3.25Å; D116-K167 HydrophobicContact CB-CD 4.11Å; D116-K167 IonicContact OD1-NZ 3.91Å; D116-K167 PolarHBondContact OD1-NZ 3.41Å; D116-K167 IonicContact OD2-NZ 2.63Å; D116-K167 PolarHBondContact OD2-NZ 3.08Å
117	F	79.8	Confident	80.8	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-95.5	24.7	172.9	-65.6	-91.1	0	0	0	111.4	L37 T84 Y114 V115 R160 A164	L37-F117 HydrophobicContact CD1-CB 4.37Å; L37-F117 HydrophobicContact CD1-CD1 3.45Å; L37-F117 VanDerWaalsContact CD1-CD1 3.45Å; L37-F117 HydrophobicContact CD1-CE1 4.04Å; L37-F117 HydrophobicContact CD1-CG 4.24Å; L37-F117 HydrophobicContact CD2-CD1 3.78Å; L37-F117 HydrophobicContact CD2-CE1 3.9Å; L37-F117 HydrophobicContact CD2-CG 4.26Å; L37-F117 HydrophobicContact CG-CD1 3.77Å; L37-F117 HydrophobicContact CG-CE1 3.88Å; T84-F117 VanDerWaalsContact C-CZ 3.47Å; Y114-F117 PolarHBondContact O-N 3.44Å; V115-F117 PolarHBondContact O-N 3.05Å; F117-R160 HydrophobicContact CB-CB 4.38Å; F117-R160 VanDerWaalsContact O-CD 3.23Å; F117-R160 WeakPolarHBondContact O-CD 3.33Å; F117-R160 WeakPolarHBondContact O-CG 3.38Å; F117-A164 HydrophobicContact CD1-CB 3.44Å; F117-A164 VanDerWaalsContact CD1-CB 3.44Å; F117-A164 HydrophobicContact CD2-CB 4.45Å; F117-A164 HydrophobicContact CE1-CB 3.13Å; F117-A164 HydrophobicContact CE2-CB 4.15Å; F117-A164 HydrophobicContact CG-CB 4.15Å; F117-A164 HydrophobicContact CZ-CB 3.52Å
118	G	83.2	Confident	80.4	Confident	23 Å²	23	56.3 Å²	56.3	24%	0.237	30%	0.304	C	S	.	.			trans	-67.7	138	171.8	0	0	0	0	0	111.5	V115 D116 V121 G122	V115-G118 PolarHBondContact O-N 3.11Å; D116-G118 VanDerWaalsContact C-N 3.3Å; G118-V121 PolarHBondContact O-N 3.33Å; G118-G122 PolarHBondContact O-N 3.26Å
119	L	80.7	Confident	79.9	Confident	44 Å²	44	52.3 Å²	52.3	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-45.2	-177	-171.8	150	0	0	0	112.3	V121 G122 K123 P156 R160	L119-V121 VanDerWaalsContact C-N 3.35Å; L119-G122 PolarHBondContact O-N 3.34Å; L119-K123 HydrophobicContact CD2-CD 3.98Å; L119-K123 VanDerWaalsContact CD2-CE 3.41Å; L119-K123 HydrophobicContact CD2-CG 4.49Å; L119-K123 PolarHBondContact O-N 3.49Å; L119-P156 HydrophobicContact CD1-CB 3.56Å; L119-R160 HydrophobicContact CB-CG 4.37Å
120	E	79.6	Confident	79.1	Confident	114 Å²	114	53.4 Å²	53.4	53%	0.533	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-36.1	177.4	-60.7	-51.9	141.7	0	0	112.1	G122 K123 Q124	E120-G122 VanDerWaalsContact C-N 3.33Å; E120-G122 PolarHBondContact O-N 3.22Å; E120-K123 PolarHBondContact O-N 3.37Å; E120-K123 IonicContact OE1-NZ 2.81Å; E120-Q124 WeakPolarHBondContact O-CG 3.13Å; E120-Q124 PolarHBondContact O-N 2.83Å
121	V	80.4	Confident	78.4	Confident	47 Å²	47	53 Å²	53	29%	0.285	29%	0.285	S	S	.	.	H	α-helix	trans	-63.8	-41.5	174.1	-178.6	0	0	0	0	110.5	G118 L119 Q124 R125	G118-V121 PolarHBondContact O-N 3.33Å; L119-V121 VanDerWaalsContact C-N 3.35Å; V121-Q124 PolarHBondContact O-N 3.2Å; V121-R125 VanDerWaalsContact CG1-CZ 3.42Å; V121-R125 WeakPolarHBondContact O-CB 3.39Å; V121-R125 WeakPolarHBondContact O-CG 3.28Å; V121-R125 PolarHBondContact O-N 3.48Å
122	G	79.1	Confident	77.2	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-43.3	175.7	0	0	0	0	0	112.9	G118 L119 E120 R125 L126	G118-G122 PolarHBondContact O-N 3.26Å; L119-G122 PolarHBondContact O-N 3.34Å; E120-G122 VanDerWaalsContact C-N 3.33Å; E120-G122 PolarHBondContact O-N 3.22Å; G122-R125 PolarHBondContact O-N 2.87Å; G122-L126 WeakPolarHBondContact O-CB 3.46Å; G122-L126 PolarHBondContact O-N 2.64Å
123	K	80.4	Confident	76.1	Confident	52 Å²	52	50.5 Å²	50.5	23%	0.226	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-46.6	174.8	-73.7	177.2	178.3	167.1	0	112.2	L119 E120 R125 L126 L127 F153	L119-K123 HydrophobicContact CD2-CD 3.98Å; L119-K123 VanDerWaalsContact CD2-CE 3.41Å; L119-K123 HydrophobicContact CD2-CG 4.49Å; L119-K123 PolarHBondContact O-N 3.49Å; E120-K123 PolarHBondContact O-N 3.37Å; E120-K123 IonicContact OE1-NZ 2.81Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.27Å; K123-L126 WeakPolarHBondContact O-CB 3.32Å; K123-L126 PolarHBondContact O-N 3.06Å; K123-L127 WeakPolarHBondContact O-CG 3.39Å; K123-L127 PolarHBondContact O-N 3.26Å; K123-F153 HydrophobicContact CG-CD1 4.4Å; K123-F153 HydrophobicContact CG-CE1 4.25Å
124	Q	79.8	Confident	75.2	Confident	135 Å²	135	48.7 Å²	48.7	63%	0.631	26%	0.257	S	S	*	.	H	α-helix	trans	-62.3	-40.9	178.1	-74.5	-177.6	-17.1	0	0	112	E120 V121 L127 S128	E120-Q124 WeakPolarHBondContact O-CG 3.13Å; E120-Q124 PolarHBondContact O-N 2.83Å; V121-Q124 PolarHBondContact O-N 3.2Å; Q124-L127 PolarHBondContact O-N 3.01Å; Q124-S128 PolarHBondContact O-N 3.31Å; Q124-S128 PolarHBondContact O-OG 3.07Å
125	R	79.3	Confident	74.1	Confident	44 Å²	44	48 Å²	48	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-37.3	175.8	-74.2	-178.7	-172.6	148	7.4	113.1	D116 V121 G122 K123 L127 S128 A129 G163 L166	D116-R125 PolarHBondContact O-NH1 3.34Å; D116-R125 VanDerWaalsContact O-NH1 3.15Å; D116-R125 IonicContact OD1-NH2 2.77Å; D116-R125 PolarHBondContact OD1-NH2 3.25Å; V121-R125 VanDerWaalsContact CG1-CZ 3.42Å; V121-R125 WeakPolarHBondContact O-CB 3.39Å; V121-R125 WeakPolarHBondContact O-CG 3.28Å; V121-R125 PolarHBondContact O-N 3.48Å; G122-R125 PolarHBondContact O-N 2.87Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.27Å; R125-L127 VanDerWaalsContact C-N 3.31Å; R125-S128 WeakPolarHBondContact CA-OG 3.25Å; R125-S128 CarbonylContact O-C 3.49Å; R125-S128 PolarHBondContact O-N 3.01Å; R125-S128 PolarHBondContact O-OG 2.87Å; R125-S128 VanDerWaalsContact O-OG 3.07Å; R125-A129 PolarHBondContact O-N 2.9Å; R125-G163 WeakPolarHBondContact CD-O 3.16Å; R125-G163 PolarHBondContact NH1-O 3.49Å; R125-L166 HydrophobicContact CB-CD1 4.17Å
126	L	78.7	Confident	73	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-40.6	173.9	-166.4	97.1	0	0	0	111.1	G122 K123 A129 L147 I151 F153 V162 L166	G122-L126 WeakPolarHBondContact O-CB 3.46Å; G122-L126 PolarHBondContact O-N 2.64Å; K123-L126 WeakPolarHBondContact O-CB 3.32Å; K123-L126 PolarHBondContact O-N 3.06Å; L126-A129 WeakPolarHBondContact O-CB 3.47Å; L126-A129 PolarHBondContact O-N 3.16Å; L126-L147 HydrophobicContact CD2-CB 4.06Å; L126-L147 HydrophobicContact CD2-CD1 3.77Å; L126-L147 HydrophobicContact CD2-CD2 4.04Å; L126-L147 HydrophobicContact CD2-CG 4.17Å; L126-L147 HydrophobicContact CG-CD1 4.12Å; L126-L147 HydrophobicContact CG-CD2 4.29Å; L126-I151 HydrophobicContact CD1-CD1 3.75Å; L126-I151 HydrophobicContact CD2-CD1 4.33Å; L126-F153 HydrophobicContact CD2-CE1 4.03Å; L126-F153 HydrophobicContact CD2-CZ 3.85Å; L126-V162 HydrophobicContact CD1-CG1 3.55Å; L126-L166 HydrophobicContact CB-CD1 4.35Å; L126-L166 HydrophobicContact CD1-CD1 4.33Å
127	L	75.4	Confident	71.7	Confident	40 Å²	40	54.3 Å²	54.3	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-68.2	-33.1	175.5	-69.5	169	0	0	0	112.4	K123 Q124 R125 A129 K143 M144 L147	K123-L127 WeakPolarHBondContact O-CG 3.39Å; K123-L127 PolarHBondContact O-N 3.26Å; Q124-L127 PolarHBondContact O-N 3.01Å; R125-L127 VanDerWaalsContact C-N 3.31Å; L127-A129 VanDerWaalsContact C-N 3.33Å; L127-K143 WeakPolarHBondContact O-CD 3.25Å; L127-K143 WeakPolarHBondContact O-CE 3.28Å; L127-K143 PolarHBondContact O-NZ 3.39Å; L127-M144 HydrophobicContact CD2-CB 4.05Å; L127-M144 HydrophobicContact CD2-CG 4.31Å; L127-L147 HydrophobicContact CD2-CD1 4.05Å
128	S	73.1	Confident	71.1	Confident	87 Å²	87	57.2 Å²	57.2	61%	0.608	33%	0.325	S	S	*	.	H	α-helix	trans	-83.8	-4.8	175.7	69.7	0	0	0	0	114.1	Q124 R125	Q124-S128 PolarHBondContact O-N 3.31Å; Q124-S128 PolarHBondContact O-OG 3.07Å; R125-S128 WeakPolarHBondContact CA-OG 3.25Å; R125-S128 CarbonylContact O-C 3.49Å; R125-S128 PolarHBondContact O-N 3.01Å; R125-S128 PolarHBondContact O-OG 2.87Å; R125-S128 VanDerWaalsContact O-OG 3.07Å
129	A	71.4	Confident	70.5	Confident	12 Å²	12	58.5 Å²	58.5	10%	0.099	33%	0.33	C	S	.	.	S	Bend	trans	-63.6	142.9	-178.1	0	0	0	0	0	111.9	R125 L126 L127 L131 K143 I187	R125-A129 PolarHBondContact O-N 2.9Å; L126-A129 WeakPolarHBondContact O-CB 3.47Å; L126-A129 PolarHBondContact O-N 3.16Å; L127-A129 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 3.43Å; A129-K143 PolarHBondContact O-NZ 3.22Å; A129-I187 HydrophobicContact CB-CD1 4.24Å
130	H	67.5	Low	69.8	Low	88 Å²	88	63.9 Å²	63.9	41%	0.407	35%	0.354	S	S	.	.			trans	-77.9	107.5	178.6	-167.5	-88.2	0	0	0	109.9	I187	H130-I187 PolarHBondContact O-N 3.41Å
131	L	69.8	Low	69.4	Low	14 Å²	14	68.7 Å²	68.7	7%	0.073	37%	0.367	C	S	.	.			trans	-113.4	97.8	179.1	-65.1	176	0	0	0	108.3	A129 F133 L134 L147 I187 F190	A129-L131 PolarHBondContact O-N 3.43Å; L131-F133 PolarHBondContact O-N 2.94Å; L131-L134 HydrophobicContact CB-CD1 4.09Å; L131-L134 HydrophobicContact CB-CG 4.36Å; L131-L134 HydrophobicContact CD1-CD1 3.68Å; L131-L134 PolarHBondContact O-N 3.48Å; L131-L147 HydrophobicContact CD1-CD2 4.15Å; L131-I187 HydrophobicContact CD2-CB 3.92Å; L131-I187 HydrophobicContact CD2-CG2 4.18Å; L131-F190 HydrophobicContact CD1-CE2 4.43Å; L131-F190 HydrophobicContact CD2-CE2 3.73Å; L131-F190 HydrophobicContact CD2-CZ 3.87Å
132	P	59	Low	69	Low	29 Å²	29	70.9 Å²	70.9	19%	0.188	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19	-172.2	-25	35.4	0	0	0	115	P186 L188 T305	P132-P186 HydrophobicContact CG-CB 3.74Å; P132-L188 HydrophobicContact CB-CD2 4.27Å; P132-L188 HydrophobicContact CG-CD2 3.77Å; P132-T305 HydrophobicContact CB-CG2 4.07Å; P132-T305 HydrophobicContact CG-CG2 3.71Å
133	F	61.8	Low	68.7	Low	26 Å²	26	72.5 Å²	72.5	11%	0.114	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.1	-177.1	-35.9	-61	0	0	0	114.4	L131 I187 L188 S497	L131-F133 PolarHBondContact O-N 2.94Å; F133-I187 WeakPolarHBondContact CE2-O 3.45Å; F133-L188 HydrophobicContact CE1-CD2 3.5Å; F133-L188 VanDerWaalsContact CE1-CD2 3.5Å; F133-L188 HydrophobicContact CE2-CB 4.21Å; F133-L188 HydrophobicContact CE2-CD2 4.06Å; F133-L188 WeakPolarHBondContact CE2-O 3.34Å; F133-L188 VanDerWaalsContact CZ-C 3.44Å; F133-L188 HydrophobicContact CZ-CB 3.56Å; F133-L188 HydrophobicContact CZ-CD2 3.2Å; F133-L188 HydrophobicContact CZ-CG 3.92Å; F133-L188 WeakPolarHBondContact CZ-O 3.44Å; F133-S497 WeakPolarHBondContact CD1-OG 3.37Å; F133-S497 WeakPolarHBondContact CE1-OG 2.98Å
134	L	62.4	Low	68.5	Low	33 Å²	33	74 Å²	74	17%	0.173	39%	0.393	C	S	.	.	S	Bend	trans	-90.8	132.9	179	-68.7	176	0	0	0	108.1	L131 I138 K143 Y146	L131-L134 HydrophobicContact CB-CD1 4.09Å; L131-L134 HydrophobicContact CB-CG 4.36Å; L131-L134 HydrophobicContact CD1-CD1 3.68Å; L131-L134 PolarHBondContact O-N 3.48Å; L134-I138 HydrophobicContact CD2-CD1 4.04Å; L134-K143 HydrophobicContact CD1-CG 4.11Å; L134-Y146 HydrophobicContact CD1-CD1 4.17Å
135	P	57.7	Low	68.2	Low	84 Å²	84	71.2 Å²	71.2	55%	0.545	39%	0.388	S	S	.	.			trans	-54.2	140.3	173.4	-23.4	31.6	0	0	0	110.4	C137 I138	P135-C137 PolarHBondContact O-N 2.99Å; P135-I138 PolarHBondContact O-N 3.02Å
136	P	56.3	Low	68.1	Low	137 Å²	137	72.9 Å²	72.9	89%	0.89	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.5	-178.3	23.6	-33.2	0	0	0	113.9
137	C	50	Low	67.9	Low	124 Å²	124	72.7 Å²	72.7	84%	0.838	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	11.6	-178.1	-56.7	0	0	0	0	114.9	P135	P135-C137 PolarHBondContact O-N 2.99Å
138	I	66.6	Low	67.9	Low	62 Å²	62	74 Å²	74	32%	0.318	41%	0.406	S	S	.	.			trans	-70.7	140	-176.9	-154.7	165.6	0	0	0	111.8	L134 P135 D142 K143	L134-I138 HydrophobicContact CD2-CD1 4.04Å; P135-I138 PolarHBondContact O-N 3.02Å; I138-D142 HydrophobicContact CD1-CB 4.05Å; I138-D142 HydrophobicContact CG1-CB 3.76Å; I138-K143 HydrophobicContact CG2-CB 4.12Å
139	S	70.6	Confident	68.1	Low	51 Å²	51	74.1 Å²	74.1	36%	0.357	41%	0.407	S	S	.	.			trans	-67.6	148.9	176.9	87.5	0	0	0	0	110.8	R141 D142 K143	S139-R141 PolarHBondContact O-N 2.78Å; S139-R141 VanDerWaalsContact O-N 3.13Å; S139-R141 PolarHBondContact OG-N 3.24Å; S139-D142 WeakPolarHBondContact CB-OD2 3.44Å; S139-D142 PolarHBondContact O-N 2.85Å; S139-D142 VanDerWaalsContact O-N 3.11Å; S139-D142 PolarHBondContact OG-N 3.46Å; S139-D142 PolarHBondContact OG-OD2 3.4Å; S139-K143 PolarHBondContact O-N 3.15Å
140	E	67.5	Low	68.1	Low	157 Å²	157	74.8 Å²	74.8	73%	0.734	41%	0.411	S	S	*	.	H	α-helix	trans	-57.1	-29.8	176.6	-69	-168.9	149.6	0	0	112.3	M144	E140-M144 VanDerWaalsContact O-CB 3.28Å; E140-M144 WeakPolarHBondContact O-CB 3.41Å; E140-M144 PolarHBondContact O-N 2.89Å
141	R	69.9	Low	68.6	Low	214 Å²	214	70.7 Å²	70.7	81%	0.808	39%	0.392	S	S	*	.	H	α-helix	trans	-68.6	-43	177.5	-68.1	-176.2	-175.3	173	2.4	112	S139 M144 S145	S139-R141 PolarHBondContact O-N 2.78Å; S139-R141 VanDerWaalsContact O-N 3.13Å; S139-R141 PolarHBondContact OG-N 3.24Å; R141-M144 PolarHBondContact O-N 3.49Å; R141-S145 PolarHBondContact O-N 2.93Å
142	D	72.4	Confident	68.9	Low	93 Å²	93	72.7 Å²	72.7	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-71.9	-37.7	179.7	-57.5	-41.1	0	0	0	110.6	I138 S139 M144 S145 Y146	I138-D142 HydrophobicContact CD1-CB 4.05Å; I138-D142 HydrophobicContact CG1-CB 3.76Å; S139-D142 WeakPolarHBondContact CB-OD2 3.44Å; S139-D142 PolarHBondContact O-N 2.85Å; S139-D142 VanDerWaalsContact O-N 3.11Å; S139-D142 PolarHBondContact OG-N 3.46Å; S139-D142 PolarHBondContact OG-OD2 3.4Å; D142-M144 VanDerWaalsContact C-N 3.3Å; D142-M144 PolarHBondContact O-N 2.59Å; D142-S145 PolarHBondContact O-N 2.91Å; D142-Y146 PolarHBondContact O-N 2.86Å
143	K	74.1	Confident	69.7	Low	37 Å²	37	73.6 Å²	73.6	16%	0.161	41%	0.406	C	S	.	.	H	α-helix	trans	-60.7	-41.1	171.1	-166.5	172.5	-172.9	178.3	0	111.4	L127 A129 L134 I138 S139 Y146 L147	L127-K143 WeakPolarHBondContact O-CD 3.25Å; L127-K143 WeakPolarHBondContact O-CE 3.28Å; L127-K143 PolarHBondContact O-NZ 3.39Å; A129-K143 PolarHBondContact O-NZ 3.22Å; L134-K143 HydrophobicContact CD1-CG 4.11Å; I138-K143 HydrophobicContact CG2-CB 4.12Å; S139-K143 PolarHBondContact O-N 3.15Å; K143-Y146 PolarHBondContact O-N 2.8Å; K143-L147 HydrophobicContact CG-CD1 4.08Å; K143-L147 WeakPolarHBondContact O-CB 3.47Å; K143-L147 VanDerWaalsContact O-CG 3.31Å; K143-L147 WeakPolarHBondContact O-CG 3.37Å; K143-L147 PolarHBondContact O-N 3.12Å
144	M	75	Confident	70.5	Confident	85 Å²	85	79.7 Å²	79.7	42%	0.419	44%	0.44	S	S	.	.	H	α-helix	trans	-67.7	-39.2	177.1	-163.1	166.8	-170.7	0	0	112.1	L127 E140 R141 D142 Y146 L147 S148	L127-M144 HydrophobicContact CD2-CB 4.05Å; L127-M144 HydrophobicContact CD2-CG 4.31Å; E140-M144 VanDerWaalsContact O-CB 3.28Å; E140-M144 WeakPolarHBondContact O-CB 3.41Å; E140-M144 PolarHBondContact O-N 2.89Å; R141-M144 PolarHBondContact O-N 3.49Å; D142-M144 VanDerWaalsContact C-N 3.3Å; D142-M144 PolarHBondContact O-N 2.59Å; M144-Y146 VanDerWaalsContact C-N 3.34Å; M144-L147 PolarHBondContact O-N 3.12Å; M144-S148 WeakPolarHBondContact O-CB 3.37Å; M144-S148 PolarHBondContact O-N 3.24Å; M144-S148 PolarHBondContact O-OG 2.89Å
145	S	74.4	Confident	71.5	Confident	76 Å²	76	78.4 Å²	78.4	53%	0.531	43%	0.433	S	S	.	.	H	α-helix	trans	-64.1	-38.6	174.6	-171.7	0	0	0	0	112.3	R141 D142 S148 S149	R141-S145 PolarHBondContact O-N 2.93Å; D142-S145 PolarHBondContact O-N 2.91Å; S145-S148 WeakPolarHBondContact CA-OG 3.49Å; S145-S148 PolarHBondContact O-OG 3.24Å; S145-S149 PolarHBondContact O-N 3.43Å
146	Y	75.8	Confident	72.8	Confident	78 Å²	78	76.8 Å²	76.8	31%	0.306	42%	0.423	S	S	.	.	H	α-helix	trans	-65.7	-50.5	174	177.8	-99.9	0	0	0	110.7	L134 D142 K143 M144 S148 S149 C150	L134-Y146 HydrophobicContact CD1-CD1 4.17Å; D142-Y146 PolarHBondContact O-N 2.86Å; K143-Y146 PolarHBondContact O-N 2.8Å; M144-Y146 VanDerWaalsContact C-N 3.34Å; Y146-S148 PolarHBondContact O-N 3.05Å; Y146-S149 WeakPolarHBondContact O-CA 3.19Å; Y146-S149 WeakPolarHBondContact O-CB 3.45Å; Y146-S149 PolarHBondContact O-N 3Å; Y146-S149 PolarHBondContact O-OG 2.84Å; Y146-C150 VanDerWaalsContact CZ-SG 3.56Å; Y146-C150 PolarHBondContact O-N 3.31Å; Y146-C150 VanDerWaalsContact O-N 3.07Å; Y146-C150 PolarHBondContact O-SG 3.15Å
147	L	76	Confident	74.1	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-31	179	-71.3	167.4	0	0	0	112.6	L126 L127 L131 K143 M144 S149 C150 I151 F153 F190	L126-L147 HydrophobicContact CD2-CB 4.06Å; L126-L147 HydrophobicContact CD2-CD1 3.77Å; L126-L147 HydrophobicContact CD2-CD2 4.04Å; L126-L147 HydrophobicContact CD2-CG 4.17Å; L126-L147 HydrophobicContact CG-CD1 4.12Å; L126-L147 HydrophobicContact CG-CD2 4.29Å; L127-L147 HydrophobicContact CD2-CD1 4.05Å; L131-L147 HydrophobicContact CD1-CD2 4.15Å; K143-L147 HydrophobicContact CG-CD1 4.08Å; K143-L147 WeakPolarHBondContact O-CB 3.47Å; K143-L147 VanDerWaalsContact O-CG 3.31Å; K143-L147 WeakPolarHBondContact O-CG 3.37Å; K143-L147 PolarHBondContact O-N 3.12Å; M144-L147 PolarHBondContact O-N 3.12Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 2.93Å; L147-C150 PolarHBondContact O-N 3.48Å; L147-I151 PolarHBondContact O-N 3.25Å; L147-F153 HydrophobicContact CB-CE2 4.44Å; L147-F153 HydrophobicContact CB-CZ 4.24Å; L147-F190 HydrophobicContact CD2-CE2 4Å; L147-F190 HydrophobicContact CD2-CZ 3.99Å
148	S	75.7	Confident	76	Confident	66 Å²	66	64.6 Å²	64.6	46%	0.462	34%	0.342	S	S	.	.	H	α-helix	trans	-73.5	-20.2	174	67.1	0	0	0	0	113.3	M144 S145 Y146 F153	M144-S148 WeakPolarHBondContact O-CB 3.37Å; M144-S148 PolarHBondContact O-N 3.24Å; M144-S148 PolarHBondContact O-OG 2.89Å; S145-S148 WeakPolarHBondContact CA-OG 3.49Å; S145-S148 PolarHBondContact O-OG 3.24Å; Y146-S148 PolarHBondContact O-N 3.05Å; S148-F153 VanDerWaalsContact CA-CE2 3.5Å
149	S	77.3	Confident	76.9	Confident	91 Å²	91	61.8 Å²	61.8	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-79	-31.4	169.2	78.4	0	0	0	0	112.2	S145 Y146 L147	S145-S149 PolarHBondContact O-N 3.43Å; Y146-S149 WeakPolarHBondContact O-CA 3.19Å; Y146-S149 WeakPolarHBondContact O-CB 3.45Å; Y146-S149 PolarHBondContact O-N 3Å; Y146-S149 PolarHBondContact O-OG 2.84Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 2.93Å
150	C	70.9	Confident	77.7	Confident	25 Å²	25	61.7 Å²	61.7	17%	0.169	32%	0.319	C	S	.	.	H	α-helix	trans	-88.6	-32.1	-178.1	-61.1	0	0	0	0	114	Y57 Y146 L147 F190	Y57-C150 WeakPolarHBondContact CE1-O 3.42Å; Y57-C150 PolarHBondContact OH-O 3.11Å; Y146-C150 VanDerWaalsContact CZ-SG 3.56Å; Y146-C150 PolarHBondContact O-N 3.31Å; Y146-C150 VanDerWaalsContact O-N 3.07Å; Y146-C150 PolarHBondContact O-SG 3.15Å; L147-C150 PolarHBondContact O-N 3.48Å; C150-F190 HydrophobicContact CB-CB 4.27Å; C150-F190 HydrophobicContact CB-CD2 4.19Å; C150-F190 HydrophobicContact CB-CG 4.38Å
151	I	77.8	Confident	78.6	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-133.6	133.9	-175.1	-58.6	175.6	0	0	0	109.3	Y57 L126 L147 F153 M158 L159 F190	Y57-I151 HydrophobicContact CD1-CG1 4.15Å; Y57-I151 HydrophobicContact CE1-CG1 3.91Å; L126-I151 HydrophobicContact CD1-CD1 3.75Å; L126-I151 HydrophobicContact CD2-CD1 4.33Å; L147-I151 PolarHBondContact O-N 3.25Å; I151-F153 PolarHBondContact O-N 3.36Å; I151-M158 HydrophobicContact CG2-CE 3.4Å; I151-M158 VanDerWaalsContact CG2-CE 3.4Å; I151-M158 HydrophobicContact CG2-SD 4.31Å; I151-L159 HydrophobicContact CG2-CD2 4.29Å; I151-F190 HydrophobicContact CD1-CD1 3.72Å; I151-F190 HydrophobicContact CD1-CE1 3.75Å; I151-F190 HydrophobicContact CD1-CG 4.46Å; I151-F190 HydrophobicContact CG1-CD1 4.18Å
152	T	75.2	Confident	79.4	Confident	56 Å²	56	44 Å²	44	34%	0.344	25%	0.246	S	C	.	.			trans	-74.9	113.7	175.1	50.6	0	0	0	0	110.9	D154 S155 M158	T152-D154 PolarHBondContact O-N 3.09Å; T152-S155 PolarHBondContact O-OG 3.15Å; T152-M158 WeakPolarHBondContact O-CE 3.26Å
153	F	77.1	Confident	79.9	Confident	49 Å²	49	39.6 Å²	39.6	22%	0.215	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4	176.1	-73.1	-79.2	0	0	0	114.2	K123 L126 L147 S148 I151 S155 L159	K123-F153 HydrophobicContact CG-CD1 4.4Å; K123-F153 HydrophobicContact CG-CE1 4.25Å; L126-F153 HydrophobicContact CD2-CE1 4.03Å; L126-F153 HydrophobicContact CD2-CZ 3.85Å; L147-F153 HydrophobicContact CB-CE2 4.44Å; L147-F153 HydrophobicContact CB-CZ 4.24Å; S148-F153 VanDerWaalsContact CA-CE2 3.5Å; I151-F153 PolarHBondContact O-N 3.36Å; F153-S155 VanDerWaalsContact C-N 3.31Å; F153-S155 PolarHBondContact O-N 2.93Å; F153-L159 HydrophobicContact CB-CD1 4.39Å; F153-L159 HydrophobicContact CD1-CD1 3.83Å; F153-L159 HydrophobicContact CD1-CD2 3.77Å; F153-L159 HydrophobicContact CD1-CG 4.45Å; F153-L159 HydrophobicContact CE1-CD2 4.02Å
154	D	78.3	Confident	80.4	Confident	154 Å²	154	37.9 Å²	37.9	82%	0.824	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.5	-177.6	-61.3	-33.2	0	0	0	113.6	T152 P156	T152-D154 PolarHBondContact O-N 3.09Å; D154-P156 VanDerWaalsContact O-CD 3.22Å; D154-P156 WeakPolarHBondContact O-CD 3.35Å
155	S	83	Confident	81	Confident	5 Å²	5	33.8 Å²	33.8	4%	0.035	20%	0.195	C	C	.	.			trans	-100.6	99.9	-178.6	44.2	0	0	0	0	112.2	D60 T152 F153 M158 L159	D60-S155 WeakPolarHBondContact OD1-CB 3.36Å; T152-S155 PolarHBondContact O-OG 3.15Å; F153-S155 VanDerWaalsContact C-N 3.31Å; F153-S155 PolarHBondContact O-N 2.93Å; S155-M158 WeakPolarHBondContact OG-CE 3.44Å; S155-M158 PolarHBondContact OG-SD 3.39Å; S155-M158 VanDerWaalsContact OG-SD 3.39Å; S155-L159 WeakPolarHBondContact O-CG 3.35Å; S155-L159 PolarHBondContact O-N 2.85Å
156	P	84.4	Confident	81.4	Confident	50 Å²	50	30.6 Å²	30.6	33%	0.325	17%	0.171	S	C	.	.	H	α-helix	trans	-69.3	-32.9	-174.3	27.5	-36.8	0	0	0	114.2	D60 L119 D154 R160	D60-P156 WeakPolarHBondContact OD2-CD 3.48Å; L119-P156 HydrophobicContact CD1-CB 3.56Å; D154-P156 VanDerWaalsContact O-CD 3.22Å; D154-P156 WeakPolarHBondContact O-CD 3.35Å; P156-R160 WeakPolarHBondContact O-CG 3.31Å; P156-R160 PolarHBondContact O-N 3.43Å
157	L	84.9	Confident	81.8	Confident	6 Å²	6	28.2 Å²	28.2	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-73.2	-42.9	-177.1	-57.9	174.1	0	0	0	111.1	Q39 Q42 D60 L159 R160 A161	Q39-L157 HydrophobicContact CB-CD1 4.27Å; Q39-L157 HydrophobicContact CB-CD2 3.84Å; Q39-L157 HydrophobicContact CG-CD2 3.86Å; Q42-L157 HydrophobicContact CB-CD1 3.63Å; D60-L157 WeakPolarHBondContact OD1-CB 3.22Å; D60-L157 PolarHBondContact OD1-N 3.21Å; D60-L157 PolarHBondContact OD2-N 3.26Å; L157-L159 PolarHBondContact O-N 2.94Å; L157-R160 PolarHBondContact O-N 3.39Å; L157-A161 PolarHBondContact O-N 2.79Å
158	M	88.6	Confident	82	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55	-50	171.6	179.6	-152.2	72.1	0	0	111.7	Y57 M58 D60 I151 T152 S155 R160 A161 V162	Y57-M158 HydrophobicContact CD2-CG 4.35Å; Y57-M158 HydrophobicContact CD2-SD 3.28Å; Y57-M158 WeakPolarHBondContact CD2-SD 3.35Å; Y57-M158 HydrophobicContact CE2-SD 4.05Å; Y57-M158 HydrophobicContact CG-SD 3.97Å; M58-M158 WeakPolarHBondContact O-CB 2.83Å; M58-M158 WeakPolarHBondContact O-CG 3.48Å; D60-M158 WeakPolarHBondContact OD1-CB 3.39Å; D60-M158 PolarHBondContact OD1-N 3.49Å; I151-M158 HydrophobicContact CG2-CE 3.4Å; I151-M158 VanDerWaalsContact CG2-CE 3.4Å; I151-M158 HydrophobicContact CG2-SD 4.31Å; T152-M158 WeakPolarHBondContact O-CE 3.26Å; S155-M158 WeakPolarHBondContact OG-CE 3.44Å; S155-M158 PolarHBondContact OG-SD 3.39Å; S155-M158 VanDerWaalsContact OG-SD 3.39Å; M158-R160 VanDerWaalsContact C-N 3.28Å; M158-R160 PolarHBondContact O-N 3.05Å; M158-A161 WeakPolarHBondContact O-CB 3.25Å; M158-A161 PolarHBondContact O-N 3.32Å; M158-A161 VanDerWaalsContact O-N 3.1Å; M158-V162 VanDerWaalsContact O-CG2 3.3Å; M158-V162 WeakPolarHBondContact O-CG2 3.23Å; M158-V162 PolarHBondContact O-N 2.91Å
159	L	85.8	Confident	82.1	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-37.6	178.9	-74	175.5	0	0	0	112.8	I151 F153 S155 L157 V162 G163	I151-L159 HydrophobicContact CG2-CD2 4.29Å; F153-L159 HydrophobicContact CB-CD1 4.39Å; F153-L159 HydrophobicContact CD1-CD1 3.83Å; F153-L159 HydrophobicContact CD1-CD2 3.77Å; F153-L159 HydrophobicContact CD1-CG 4.45Å; F153-L159 HydrophobicContact CE1-CD2 4.02Å; S155-L159 WeakPolarHBondContact O-CG 3.35Å; S155-L159 PolarHBondContact O-N 2.85Å; L157-L159 PolarHBondContact O-N 2.94Å; L159-V162 PolarHBondContact O-N 2.89Å; L159-G163 PolarHBondContact O-N 3.15Å
160	R	87.3	Confident	82.2	Confident	48 Å²	48	25 Å²	25	18%	0.181	13%	0.133	C	C	.	.	H	α-helix	trans	-67.4	-39.1	175.8	-68.3	174.3	-176.5	179.7	3.8	111.7	L37 F117 L119 P156 L157 M158 G163 A164	L37-R160 HydrophobicContact CD1-CB 3.44Å; L37-R160 VanDerWaalsContact CD1-CB 3.44Å; F117-R160 HydrophobicContact CB-CB 4.38Å; F117-R160 VanDerWaalsContact O-CD 3.23Å; F117-R160 WeakPolarHBondContact O-CD 3.33Å; F117-R160 WeakPolarHBondContact O-CG 3.38Å; L119-R160 HydrophobicContact CB-CG 4.37Å; P156-R160 WeakPolarHBondContact O-CG 3.31Å; P156-R160 PolarHBondContact O-N 3.43Å; L157-R160 PolarHBondContact O-N 3.39Å; M158-R160 VanDerWaalsContact C-N 3.28Å; M158-R160 PolarHBondContact O-N 3.05Å; R160-G163 PolarHBondContact O-N 3.1Å; R160-A164 PolarHBondContact O-N 3.27Å; R160-A164 VanDerWaalsContact O-N 3.15Å
161	A	86.8	Confident	82.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-43.8	175.5	0	0	0	0	0	111.1	S35 L37 C46 L157 M158 G163 A164 L165	S35-A161 WeakPolarHBondContact CB-O 3.18Å; S35-A161 PolarHBondContact OG-O 3.24Å; L37-A161 HydrophobicContact CD1-CB 4.49Å; C46-A161 HydrophobicContact CB-CB 4.25Å; L157-A161 PolarHBondContact O-N 2.79Å; M158-A161 WeakPolarHBondContact O-CB 3.25Å; M158-A161 PolarHBondContact O-N 3.32Å; M158-A161 VanDerWaalsContact O-N 3.1Å; A161-G163 PolarHBondContact O-N 3.49Å; A161-A164 PolarHBondContact O-N 3.36Å; A161-L165 WeakPolarHBondContact O-CB 3.15Å; A161-L165 PolarHBondContact O-N 3.49Å
162	V	86.6	Confident	82.2	Confident	1 Å²	1	35 Å²	35	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-57.3	-48.5	173.4	175.8	0	0	0	0	110.7	C46 L55 L126 M158 L159 A164 L165 L166	C46-V162 HydrophobicContact CB-CG2 3.85Å; C46-V162 VanDerWaalsContact SG-CG2 3.58Å; L55-V162 HydrophobicContact CD1-CG1 4.38Å; L126-V162 HydrophobicContact CD1-CG1 3.55Å; M158-V162 VanDerWaalsContact O-CG2 3.3Å; M158-V162 WeakPolarHBondContact O-CG2 3.23Å; M158-V162 PolarHBondContact O-N 2.91Å; L159-V162 PolarHBondContact O-N 2.89Å; V162-A164 VanDerWaalsContact C-N 3.28Å; V162-A164 PolarHBondContact O-N 3.05Å; V162-L165 WeakPolarHBondContact O-CB 3.49Å; V162-L165 PolarHBondContact O-N 2.85Å; V162-L165 VanDerWaalsContact O-N 3.16Å; V162-L166 HydrophobicContact CG1-CD1 4.04Å; V162-L166 HydrophobicContact CG1-CG 4.26Å; V162-L166 WeakPolarHBondContact O-CG 3.33Å; V162-L166 PolarHBondContact O-N 3.31Å
163	G	84.1	Confident	81.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-32.1	180	0	0	0	0	0	114.8	R125 L159 R160 A161 K167	R125-G163 WeakPolarHBondContact CD-O 3.16Å; R125-G163 PolarHBondContact NH1-O 3.49Å; L159-G163 PolarHBondContact O-N 3.15Å; R160-G163 PolarHBondContact O-N 3.1Å; A161-G163 PolarHBondContact O-N 3.49Å; G163-K167 PolarHBondContact O-N 3.37Å
164	A	84.7	Confident	80.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-78.2	-37.5	174.6	0	0	0	0	0	112.4	F117 R160 A161 V162 K167 C168	F117-A164 HydrophobicContact CD1-CB 3.44Å; F117-A164 VanDerWaalsContact CD1-CB 3.44Å; F117-A164 HydrophobicContact CD2-CB 4.45Å; F117-A164 HydrophobicContact CE1-CB 3.13Å; F117-A164 HydrophobicContact CE2-CB 4.15Å; F117-A164 HydrophobicContact CG-CB 4.15Å; F117-A164 HydrophobicContact CZ-CB 3.52Å; R160-A164 PolarHBondContact O-N 3.27Å; R160-A164 VanDerWaalsContact O-N 3.15Å; A161-A164 PolarHBondContact O-N 3.36Å; V162-A164 VanDerWaalsContact C-N 3.28Å; V162-A164 PolarHBondContact O-N 3.05Å; A164-K167 PolarHBondContact O-N 3.31Å; A164-C168 PolarHBondContact O-N 3.47Å
165	L	86.1	Confident	79.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.7	-50.3	173.9	-176.2	64.8	0	0	0	111	L33 C46 L55 L83 A161 V162 K167 C168 L169	L33-L165 HydrophobicContact CB-CD1 3.78Å; L33-L165 WeakPolarHBondContact O-CD1 2.97Å; C46-L165 HydrophobicContact CB-CD2 4.26Å; C46-L165 WeakPolarHBondContact SG-CD2 3.47Å; L55-L165 HydrophobicContact CD1-CD2 4.4Å; L55-L165 HydrophobicContact CG-CD2 4.5Å; L83-L165 HydrophobicContact CD1-CD1 3.83Å; A161-L165 WeakPolarHBondContact O-CB 3.15Å; A161-L165 PolarHBondContact O-N 3.49Å; V162-L165 WeakPolarHBondContact O-CB 3.49Å; V162-L165 PolarHBondContact O-N 2.85Å; V162-L165 VanDerWaalsContact O-N 3.16Å; L165-K167 VanDerWaalsContact C-N 3.29Å; L165-K167 PolarHBondContact O-N 3.46Å; L165-C168 WeakPolarHBondContact O-CA 3.41Å; L165-C168 VanDerWaalsContact O-CB 3.29Å; L165-C168 WeakPolarHBondContact O-CB 3.32Å; L165-C168 PolarHBondContact O-N 3.03Å; L165-L169 HydrophobicContact CG-CD1 4.3Å; L165-L169 WeakPolarHBondContact O-CG 3.1Å; L165-L169 PolarHBondContact O-N 3.49Å
166	L	83.8	Confident	78.4	Confident	8 Å²	8	27.2 Å²	27.2	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-56.3	-43.1	177.4	-67.8	177.2	0	0	0	112	L55 R125 L126 V162 C168 L169 D170 I187	L55-L166 HydrophobicContact CD1-CD2 4.24Å; R125-L166 HydrophobicContact CB-CD1 4.17Å; L126-L166 HydrophobicContact CB-CD1 4.35Å; L126-L166 HydrophobicContact CD1-CD1 4.33Å; V162-L166 HydrophobicContact CG1-CD1 4.04Å; V162-L166 HydrophobicContact CG1-CG 4.26Å; V162-L166 WeakPolarHBondContact O-CG 3.33Å; V162-L166 PolarHBondContact O-N 3.31Å; L166-C168 VanDerWaalsContact C-N 3.28Å; L166-C168 PolarHBondContact O-N 2.93Å; L166-L169 HydrophobicContact CD2-CD1 4.43Å; L166-L169 WeakPolarHBondContact O-CB 3.46Å; L166-L169 PolarHBondContact O-N 3.37Å; L166-D170 PolarHBondContact O-N 3Å; L166-I187 HydrophobicContact CD2-CD1 3.41Å; L166-I187 VanDerWaalsContact CD2-CD1 3.41Å
167	K	83.1	Confident	77.1	Confident	28 Å²	28	31.4 Å²	31.4	12%	0.122	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-39	175	-173.8	-176.3	-173.9	175.6	0	112.4	D116 G163 A164 L165 R171	D116-K167 HydrophobicContact CB-CD 4.11Å; D116-K167 IonicContact OD1-NZ 3.91Å; D116-K167 PolarHBondContact OD1-NZ 3.41Å; D116-K167 IonicContact OD2-NZ 2.63Å; D116-K167 PolarHBondContact OD2-NZ 3.08Å; G163-K167 PolarHBondContact O-N 3.37Å; A164-K167 PolarHBondContact O-N 3.31Å; L165-K167 VanDerWaalsContact C-N 3.29Å; L165-K167 PolarHBondContact O-N 3.46Å; K167-R171 WeakPolarHBondContact O-CB 3.43Å; K167-R171 WeakPolarHBondContact O-CG 3.34Å; K167-R171 PolarHBondContact O-N 2.98Å
168	C	80.5	Confident	75.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-43.2	177.4	-164.5	0	0	0	0	111.1	L83 Y112 A164 L165 L166 R171 R172	L83-C168 HydrophobicContact CD1-CB 3.35Å; L83-C168 HydrophobicContact CD2-CB 4.16Å; L83-C168 VanDerWaalsContact CD2-SG 3.53Å; L83-C168 HydrophobicContact CG-CB 4.38Å; Y112-C168 HydrophobicContact CE2-CB 3.93Å; Y112-C168 PolarHBondContact OH-SG 3.44Å; Y112-C168 VanDerWaalsContact OH-SG 3.33Å; A164-C168 PolarHBondContact O-N 3.47Å; L165-C168 WeakPolarHBondContact O-CA 3.41Å; L165-C168 VanDerWaalsContact O-CB 3.29Å; L165-C168 WeakPolarHBondContact O-CB 3.32Å; L165-C168 PolarHBondContact O-N 3.03Å; L166-C168 VanDerWaalsContact C-N 3.28Å; L166-C168 PolarHBondContact O-N 2.93Å; C168-R171 PolarHBondContact O-N 3.48Å; C168-R172 WeakPolarHBondContact O-CB 3.45Å; C168-R172 PolarHBondContact O-N 3.46Å
169	L	79.1	Confident	74.1	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-46.8	175.5	-65.3	175.3	0	0	0	110.9	L33 Y48 L165 L166 R171 R173 V174 V185	L33-L169 HydrophobicContact CD1-CD2 4.29Å; L33-L169 HydrophobicContact CD2-CD2 4.37Å; Y48-L169 HydrophobicContact CD1-CD1 4.04Å; Y48-L169 HydrophobicContact CD1-CD2 3.48Å; Y48-L169 VanDerWaalsContact CD1-CD2 3.48Å; Y48-L169 HydrophobicContact CD1-CG 4.43Å; Y48-L169 HydrophobicContact CD2-CD1 3.9Å; Y48-L169 HydrophobicContact CE1-CD1 4.48Å; Y48-L169 HydrophobicContact CE1-CD2 3.97Å; Y48-L169 HydrophobicContact CE2-CD1 4.36Å; Y48-L169 HydrophobicContact CG-CD1 3.71Å; Y48-L169 HydrophobicContact CG-CD2 3.94Å; Y48-L169 HydrophobicContact CG-CG 4.48Å; L165-L169 HydrophobicContact CG-CD1 4.3Å; L165-L169 WeakPolarHBondContact O-CG 3.1Å; L165-L169 PolarHBondContact O-N 3.49Å; L166-L169 HydrophobicContact CD2-CD1 4.43Å; L166-L169 WeakPolarHBondContact O-CB 3.46Å; L166-L169 PolarHBondContact O-N 3.37Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.32Å; L169-R173 WeakPolarHBondContact O-CA 3.18Å; L169-R173 PolarHBondContact O-N 2.81Å; L169-V174 HydrophobicContact CD2-CB 4.01Å; L169-V174 HydrophobicContact CD2-CG2 3.97Å; L169-V185 HydrophobicContact CB-CB 4.3Å; L169-V185 HydrophobicContact CB-CG1 4.35Å; L169-V185 HydrophobicContact CB-CG2 4.17Å; L169-V185 WeakPolarHBondContact O-CG2 3.15Å
170	D	78.3	Confident	72.5	Confident	88 Å²	88	48 Å²	48	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-37.7	177.1	-67.3	-24.3	0	0	0	112.6	L166	L166-D170 PolarHBondContact O-N 3Å
171	R	77.3	Confident	71	Confident	153 Å²	153	50.3 Å²	50.3	58%	0.577	25%	0.249	S	C	*	.	H	α-helix	trans	-75.7	-41.7	-179.1	-81.5	-176.1	169.1	-170.3	-4.5	113.4	K167 C168 L169	K167-R171 WeakPolarHBondContact O-CB 3.43Å; K167-R171 WeakPolarHBondContact O-CG 3.34Å; K167-R171 PolarHBondContact O-N 2.98Å; C168-R171 PolarHBondContact O-N 3.48Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.32Å
172	R	70.6	Confident	69.3	Low	84 Å²	84	56.4 Å²	56.4	32%	0.317	29%	0.287	S	S	.	.	H	α-helix	trans	-85.3	-13.7	-180	-70.8	-170.7	179.7	-130.7	-5.7	112.1	E108 C168 V174	E108-R172 VanDerWaalsContact CD-NH2 3.27Å; E108-R172 IonicContact OE1-CZ 3.15Å; E108-R172 IonicContact OE1-NH1 3.11Å; E108-R172 IonicContact OE1-NH2 3.71Å; E108-R172 PolarHBondContact OE1-NH2 3.08Å; E108-R172 IonicContact OE2-CZ 3.69Å; E108-R172 IonicContact OE2-NH1 2.68Å; E108-R172 PolarHBondContact OE2-NH1 3.32Å; E108-R172 IonicContact OE2-NH2 3.98Å; E108-R172 PolarHBondContact OE2-NH2 3.38Å; C168-R172 WeakPolarHBondContact O-CB 3.45Å; C168-R172 PolarHBondContact O-N 3.46Å; R172-V174 HydrophobicContact CB-CG2 3.6Å; R172-V174 PolarHBondContact O-N 3.08Å
173	R	65.6	Low	67.9	Low	73 Å²	73	58.6 Å²	58.6	28%	0.275	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	44	46.9	-171.2	-63.5	-165.3	-175.7	165.6	8.7	111.8	L169 G175 V176 E177 E179 S181	L169-R173 WeakPolarHBondContact O-CA 3.18Å; L169-R173 PolarHBondContact O-N 2.81Å; R173-G175 PolarHBondContact O-N 3.03Å; R173-V176 CarbonylContact O-C 3.59Å; R173-V176 WeakPolarHBondContact O-CA 3.29Å; R173-V176 PolarHBondContact O-N 2.92Å; R173-E177 VanDerWaalsContact O-CG 3.26Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 3.22Å; R173-E177 VanDerWaalsContact O-N 3.17Å; R173-E179 PolarHBondContact NH1-O 3.2Å; R173-E179 VanDerWaalsContact NH1-O 3.13Å; R173-S181 VanDerWaalsContact CZ-CA 3.44Å; R173-S181 VanDerWaalsContact NH1-CA 3.33Å; R173-S181 PolarHBondContact NH2-OG 3.31Å
174	V	58.3	Low	66.7	Low	9 Å²	9	59.7 Å²	59.7	6%	0.055	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	115.7	-172.8	-178.2	0	0	0	0	109	L33 L169 R172	L33-V174 HydrophobicContact CD1-CB 4.34Å; L33-V174 HydrophobicContact CD1-CG1 3.82Å; L33-V174 HydrophobicContact CD1-CG2 3.88Å; L33-V174 HydrophobicContact CD2-CG2 3.93Å; L169-V174 HydrophobicContact CD2-CB 4.01Å; L169-V174 HydrophobicContact CD2-CG2 3.97Å; R172-V174 HydrophobicContact CB-CG2 3.6Å; R172-V174 PolarHBondContact O-N 3.08Å
175	G	54.5	Low	65.9	Low	16 Å²	16	60.1 Å²	60.1	17%	0.165	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	3	-179.8	0	0	0	0	0	116.9	R173 R302	R173-G175 PolarHBondContact O-N 3.03Å; G175-R302 VanDerWaalsContact C-NH2 3.32Å; G175-R302 PolarHBondContact O-NH2 3.03Å
176	V	57	Low	65.1	Low	2 Å²	2	60.1 Å²	60.1	1%	0.012	31%	0.314	C	S	.	.			trans	-133.2	25.7	176.2	-168	0	0	0	0	109.2	R173 L178 E179 V183 L306	R173-V176 CarbonylContact O-C 3.59Å; R173-V176 WeakPolarHBondContact O-CA 3.29Å; R173-V176 PolarHBondContact O-N 2.92Å; V176-L178 PolarHBondContact O-N 3.32Å; V176-L178 VanDerWaalsContact O-N 3.14Å; V176-E179 HydrophobicContact CG1-CB 3.64Å; V176-E179 HydrophobicContact CG1-CG 3.91Å; V176-E179 PolarHBondContact O-N 3.34Å; V176-V183 HydrophobicContact CG1-CB 3.83Å; V176-V183 HydrophobicContact CG1-CG1 3.72Å; V176-L306 HydrophobicContact CB-CD2 4.4Å; V176-L306 HydrophobicContact CG1-CD2 4.04Å; V176-L306 HydrophobicContact CG2-CD2 3.68Å
177	E	56.2	Low	64.7	Low	139 Å²	139	59.9 Å²	59.9	65%	0.65	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.1	-167.9	-62.1	-175.9	-176.2	0	0	113	R173	R173-E177 VanDerWaalsContact O-CG 3.26Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 3.22Å; R173-E177 VanDerWaalsContact O-N 3.17Å
178	L	53.6	Low	64.1	Low	179 Å²	179	58.6 Å²	58.6	94%	0.937	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	0.7	-176.9	-64.2	171.6	0	0	0	113.9	V176	V176-L178 PolarHBondContact O-N 3.32Å; V176-L178 VanDerWaalsContact O-N 3.14Å
179	E	56.3	Low	63.7	Low	51 Å²	51	59.7 Å²	59.7	24%	0.238	31%	0.312	C	S	.	.	S	Bend	trans	-105	168.2	-174.6	-50	-167.3	168.6	0	0	114	R173 V176 V183 L306	R173-E179 PolarHBondContact NH1-O 3.2Å; R173-E179 VanDerWaalsContact NH1-O 3.13Å; V176-E179 HydrophobicContact CG1-CB 3.64Å; V176-E179 HydrophobicContact CG1-CG 3.91Å; V176-E179 PolarHBondContact O-N 3.34Å; E179-V183 HydrophobicContact CB-CG2 4.47Å; E179-L306 VanDerWaalsContact OE1-CB 3.24Å; E179-L306 WeakPolarHBondContact OE1-CB 3.32Å; E179-L306 WeakPolarHBondContact OE2-CD2 3.21Å
180	D	53.8	Low	63.7	Low	126 Å²	126	61.2 Å²	61.2	67%	0.674	32%	0.319	S	S	*	.			trans	-58.1	154.7	-176.9	-82.5	-28.6	0	0	0	113.2	T182 V183	D180-T182 PolarHBondContact O-N 3.19Å; D180-V183 PolarHBondContact O-N 3.07Å; D180-V183 VanDerWaalsContact O-N 3.12Å
181	S	54.2	Low	63.8	Low	97 Å²	97	59.8 Å²	59.8	68%	0.678	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.4	-175.2	-55.4	0	0	0	0	116.7	R173	R173-S181 VanDerWaalsContact CZ-CA 3.44Å; R173-S181 VanDerWaalsContact NH1-CA 3.33Å; R173-S181 PolarHBondContact NH2-OG 3.31Å
182	T	51.9	Low	64	Low	129 Å²	129	55.5 Å²	55.5	79%	0.791	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-16.6	-177.9	48.4	0	0	0	0	112.7	D180	D180-T182 PolarHBondContact O-N 3.19Å
183	V	57.6	Low	64.5	Low	46 Å²	46	51.6 Å²	51.6	28%	0.279	29%	0.292	S	S	.	.			trans	-87.9	113	-179	-171	0	0	0	0	109.8	V176 E179 D180 L306	V176-V183 HydrophobicContact CG1-CB 3.83Å; V176-V183 HydrophobicContact CG1-CG1 3.72Å; E179-V183 HydrophobicContact CB-CG2 4.47Å; D180-V183 PolarHBondContact O-N 3.07Å; D180-V183 VanDerWaalsContact O-N 3.12Å; V183-L306 HydrophobicContact CG1-CD2 4.05Å
184	G	59.3	Low	65.1	Low	23 Å²	23	51.6 Å²	51.6	24%	0.237	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-78.8	154.5	175.2	0	0	0	0	0	111.9	P186	G184-P186 WeakPolarHBondContact O-CD 3.49Å
185	V	67.4	Low	65.8	Low	9 Å²	9	52.1 Å²	52.1	6%	0.055	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-64.2	120.1	175.7	179.5	0	0	0	0	109.2	Y48 L169	Y48-V185 HydrophobicContact CE1-CG1 4.13Å; Y48-V185 WeakPolarHBondContact OH-CG1 3.35Å; L169-V185 HydrophobicContact CB-CB 4.3Å; L169-V185 HydrophobicContact CB-CG1 4.35Å; L169-V185 HydrophobicContact CB-CG2 4.17Å; L169-V185 WeakPolarHBondContact O-CG2 3.15Å
186	P	68.6	Low	66.6	Low	1 Å²	1	59.5 Å²	59.5	1%	0.006	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-73.4	132.3	-177.1	28.9	-33.4	0	0	0	110.8	Y48 S53 P132 G184 L188 T305	Y48-P186 PolarHBondContact OH-O 2.95Å; S53-P186 WeakPolarHBondContact CB-O 3.49Å; P132-P186 HydrophobicContact CG-CB 3.74Å; G184-P186 WeakPolarHBondContact O-CD 3.49Å; P186-L188 HydrophobicContact CB-CD2 4.47Å; P186-T305 HydrophobicContact CB-CG2 3.88Å; P186-T305 HydrophobicContact CG-CG2 4.31Å
187	I	76.4	Confident	67.5	Low	3 Å²	3	64.9 Å²	64.9	2%	0.015	36%	0.355	C	S	.	.			trans	-105.9	112.2	168.6	-63	167.7	0	0	0	107.7	Y48 L55 A129 H130 L131 F133 L166 F190	Y48-I187 HydrophobicContact CE2-CG1 4.08Å; L55-I187 HydrophobicContact CB-CG2 4.03Å; L55-I187 HydrophobicContact CD1-CD1 4.07Å; A129-I187 HydrophobicContact CB-CD1 4.24Å; H130-I187 PolarHBondContact O-N 3.41Å; L131-I187 HydrophobicContact CD2-CB 3.92Å; L131-I187 HydrophobicContact CD2-CG2 4.18Å; F133-I187 WeakPolarHBondContact CE2-O 3.45Å; L166-I187 HydrophobicContact CD2-CD1 3.41Å; L166-I187 VanDerWaalsContact CD2-CD1 3.41Å; I187-F190 HydrophobicContact CG2-CE1 3.97Å; I187-F190 HydrophobicContact CG2-CE2 4.25Å; I187-F190 HydrophobicContact CG2-CZ 3.83Å
188	L	69.9	Low	68.8	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.33	C	S	.	.			trans	-93	-25.2	-173.5	-65.6	-176.3	0	0	0	113.4	S53 P132 F133 P186 L301 Y501	S53-L188 PolarHBondContact O-N 3.28Å; P132-L188 HydrophobicContact CB-CD2 4.27Å; P132-L188 HydrophobicContact CG-CD2 3.77Å; F133-L188 HydrophobicContact CE1-CD2 3.5Å; F133-L188 VanDerWaalsContact CE1-CD2 3.5Å; F133-L188 HydrophobicContact CE2-CB 4.21Å; F133-L188 HydrophobicContact CE2-CD2 4.06Å; F133-L188 WeakPolarHBondContact CE2-O 3.34Å; F133-L188 VanDerWaalsContact CZ-C 3.44Å; F133-L188 HydrophobicContact CZ-CB 3.56Å; F133-L188 HydrophobicContact CZ-CD2 3.2Å; F133-L188 HydrophobicContact CZ-CG 3.92Å; F133-L188 WeakPolarHBondContact CZ-O 3.44Å; P186-L188 HydrophobicContact CB-CD2 4.47Å; L188-L301 HydrophobicContact CD1-CB 4.36Å; L188-Y501 HydrophobicContact CB-CE2 4.07Å; L188-Y501 HydrophobicContact CD1-CE2 4.36Å; L188-Y501 WeakPolarHBondContact CD1-OH 3.45Å
189	Q	71.1	Confident	70.3	Confident	23 Å²	23	50.7 Å²	50.7	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.7	177.2	-67.9	-167.2	-47.8	0	0	112.4	L55 H191 Y501	L55-Q189 PolarHBondContact N-O 3.04Å; Q189-H191 PolarHBondContact OE1-NE2 3.49Å; Q189-Y501 HydrophobicContact CG-CD1 4.49Å; Q189-Y501 HydrophobicContact CG-CD2 4.14Å; Q189-Y501 HydrophobicContact CG-CE2 4.45Å; Q189-Y501 HydrophobicContact CG-CG 4.19Å
190	F	79.4	Confident	71.5	Confident	34 Å²	34	50.9 Å²	50.9	15%	0.149	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.9	169.5	-67.1	-75.9	0	0	0	109.5	L55 Y57 L131 L147 C150 I151 I187	L55-F190 HydrophobicContact CB-CD1 4.12Å; L55-F190 HydrophobicContact CB-CE1 4.25Å; L55-F190 HydrophobicContact CD1-CE1 4.27Å; L55-F190 HydrophobicContact CD2-CD1 3.96Å; L55-F190 HydrophobicContact CD2-CE1 4.19Å; L55-F190 HydrophobicContact CG-CD1 4.5Å; L55-F190 HydrophobicContact CG-CE1 4.48Å; L55-F190 WeakPolarHBondContact O-CA 3.45Å; Y57-F190 HydrophobicContact CE1-CB 4.45Å; L131-F190 HydrophobicContact CD1-CE2 4.43Å; L131-F190 HydrophobicContact CD2-CE2 3.73Å; L131-F190 HydrophobicContact CD2-CZ 3.87Å; L147-F190 HydrophobicContact CD2-CE2 4Å; L147-F190 HydrophobicContact CD2-CZ 3.99Å; C150-F190 HydrophobicContact CB-CB 4.27Å; C150-F190 HydrophobicContact CB-CD2 4.19Å; C150-F190 HydrophobicContact CB-CG 4.38Å; I151-F190 HydrophobicContact CD1-CD1 3.72Å; I151-F190 HydrophobicContact CD1-CE1 3.75Å; I151-F190 HydrophobicContact CD1-CG 4.46Å; I151-F190 HydrophobicContact CG1-CD1 4.18Å; I187-F190 HydrophobicContact CG2-CE1 3.97Å; I187-F190 HydrophobicContact CG2-CE2 4.25Å; I187-F190 HydrophobicContact CG2-CZ 3.83Å
191	H	81	Confident	72.9	Confident	57 Å²	57	45.3 Å²	45.3	26%	0.264	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.2	-179.5	-76.1	-58.6	0	0	0	111.3	L55 H56 Y57 Q189 Y193	L55-H191 PolarHBondContact O-N 3.33Å; H56-H191 CarbonylContact C-O 3.56Å; H56-H191 VanDerWaalsContact CA-O 3.27Å; H56-H191 WeakPolarHBondContact CA-O 3.29Å; H56-H191 WeakPolarHBondContact CD2-CB 3.36Å; H56-H191 AromaticContact CE1-CD2 3.96Å; H56-H191 AromaticContact NE2-CD2 3.68Å; H56-H191 AromaticContact NE2-CG 3.88Å; Y57-H191 WeakPolarHBondContact CD1-O 3.49Å; Y57-H191 PolarHBondContact N-O 3.01Å; Q189-H191 PolarHBondContact OE1-NE2 3.49Å; H191-Y193 PolarHBondContact O-N 3.11Å
192	A	81.6	Confident	73.9	Confident	64 Å²	64	41.3 Å²	41.3	53%	0.529	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116.7	172.6	0	0	0	0	0	109.8	Y57	Y57-A192 HydrophobicContact CE1-CB 4.5Å; Y57-A192 HydrophobicContact CE2-CB 4.18Å
193	Y	81.1	Confident	74.6	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.008	21%	0.208	C	C	.	.			trans	-90.7	114.4	174.7	-167.7	-82.4	0	0	0	109.7	F47 Y57 M58 V73 E76 V77 H191 L195 R257	F47-Y193 AromaticContact CE1-CD2 3.42Å; F47-Y193 HydrophobicContact CE1-CD2 3.42Å; F47-Y193 VanDerWaalsContact CE1-CD2 3.42Å; F47-Y193 AromaticContact CE1-CE2 3.61Å; F47-Y193 HydrophobicContact CE1-CE2 3.61Å; F47-Y193 HydrophobicContact CE1-CG 4.16Å; F47-Y193 AromaticContact CZ-CD2 3.68Å; F47-Y193 HydrophobicContact CZ-CD2 3.68Å; F47-Y193 AromaticContact CZ-CE2 3.82Å; F47-Y193 HydrophobicContact CZ-CE2 3.82Å; Y57-Y193 WeakPolarHBondContact O-CB 3.46Å; Y57-Y193 PolarHBondContact O-N 2.85Å; M58-Y193 HydrophobicContact CB-CD1 4.36Å; M58-Y193 HydrophobicContact CG-CD1 4.4Å; M58-Y193 WeakPolarHBondContact CG-O 3.36Å; M58-Y193 HydrophobicContact SD-CD1 4.18Å; V73-Y193 HydrophobicContact CG2-CE1 3.81Å; E76-Y193 PolarHBondContact OE2-OH 3.07Å; V77-Y193 HydrophobicContact CG2-CE2 4.22Å; H191-Y193 PolarHBondContact O-N 3.11Å; Y193-L195 HydrophobicContact CD1-CG 4.36Å; Y193-L195 HydrophobicContact CE1-CD1 4.1Å; Y193-L195 HydrophobicContact CE1-CD2 3.72Å; Y193-L195 HydrophobicContact CE1-CG 3.68Å; Y193-R257 VanDerWaalsContact CE2-CZ 3.44Å; Y193-R257 PolarHBondContact OH-NH2 3Å
194	T	77.6	Confident	75.2	Confident	73 Å²	73	40.7 Å²	40.7	45%	0.448	21%	0.207	S	C	.	.			trans	-129.8	132.8	179.9	-54.3	0	0	0	0	110.4	K196	T194-K196 HydrophobicContact CG2-CB 3.67Å; T194-K196 HydrophobicContact CG2-CD 3.94Å; T194-K196 HydrophobicContact CG2-CG 3.65Å
195	L	73.5	Confident	75.8	Confident	19 Å²	19	39.6 Å²	39.6	10%	0.099	20%	0.195	C	C	.	.			trans	-101.6	3.3	175.9	-67.5	173.1	0	0	0	113.2	L69 V73 Y193 E197 V198	L69-L195 HydrophobicContact CD1-CD1 4.17Å; L69-L195 HydrophobicContact CD2-CD1 3.85Å; L69-L195 HydrophobicContact CG-CD1 3.7Å; V73-L195 HydrophobicContact CG2-CD1 3.78Å; Y193-L195 HydrophobicContact CD1-CG 4.36Å; Y193-L195 HydrophobicContact CE1-CD1 4.1Å; Y193-L195 HydrophobicContact CE1-CD2 3.72Å; Y193-L195 HydrophobicContact CE1-CG 3.68Å; L195-E197 PolarHBondContact O-N 3.09Å; L195-V198 PolarHBondContact O-N 2.87Å
196	K	70.9	Confident	75.7	Confident	172 Å²	172	40.7 Å²	40.7	75%	0.748	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	136.9	172.3	-63.7	179.3	179	175.8	0	108.7	T194 V198	T194-K196 HydrophobicContact CG2-CB 3.67Å; T194-K196 HydrophobicContact CG2-CD 3.94Å; T194-K196 HydrophobicContact CG2-CG 3.65Å; K196-V198 PolarHBondContact O-N 2.87Å; K196-V198 VanDerWaalsContact O-N 3.16Å
197	E	76	Confident	75.4	Confident	115 Å²	115	42 Å²	42	54%	0.537	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	4.9	179.6	-51.3	-175.6	158.6	0	0	115.9	L195 R260 D261	L195-E197 PolarHBondContact O-N 3.09Å; E197-R260 HydrophobicContact CB-CB 4.44Å; E197-R260 VanDerWaalsContact O-CB 3.31Å; E197-R260 WeakPolarHBondContact O-CB 3.4Å; E197-R260 WeakPolarHBondContact O-CG 3.36Å; E197-R260 PolarHBondContact O-N 3.24Å; E197-D261 WeakPolarHBondContact OE2-CB 3.34Å
198	V	83.8	Confident	74.4	Confident	20 Å²	20	44.6 Å²	44.6	12%	0.121	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-87.3	126.1	174.7	-165.4	0	0	0	0	110.5	R72 L195 K196 Y200 R257 P258	R72-V198 PolarHBondContact NH1-O 2.81Å; R72-V198 VanDerWaalsContact NH2-CB 3.27Å; R72-V198 PolarHBondContact NH2-O 2.88Å; R72-V198 VanDerWaalsContact NH2-O 3.12Å; L195-V198 PolarHBondContact O-N 2.87Å; K196-V198 PolarHBondContact O-N 2.87Å; K196-V198 VanDerWaalsContact O-N 3.16Å; V198-Y200 PolarHBondContact O-N 3.03Å; V198-R257 HydrophobicContact CG1-CB 3.72Å; V198-R257 HydrophobicContact CG1-CG 4.13Å; V198-P258 CarbonylContact C-O 3.6Å; V198-P258 WeakPolarHBondContact CA-O 3.38Å; V198-P258 WeakPolarHBondContact CG1-O 3.46Å
199	V	84.8	Confident	73.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-60.7	129.6	-179.2	-176.6	0	0	0	0	110.7	R72 I201 P258 R260 L593 V608 D609	R72-V199 PolarHBondContact NH2-O 2.99Å; V199-I201 HydrophobicContact CG1-CG1 4.33Å; V199-P258 HydrophobicContact CB-CB 4.07Å; V199-P258 HydrophobicContact CB-CG 4.29Å; V199-P258 HydrophobicContact CG2-CB 4.05Å; V199-P258 PolarHBondContact N-O 3.44Å; V199-R260 HydrophobicContact CG2-CG 3.6Å; V199-L593 HydrophobicContact CG1-CD1 4.23Å; V199-L593 HydrophobicContact CG2-CB 4.39Å; V199-L593 HydrophobicContact CG2-CD1 4.04Å; V199-L593 HydrophobicContact CG2-CD2 4.28Å; V199-L593 HydrophobicContact CG2-CG 4.46Å; V199-V608 WeakPolarHBondContact CG2-O 3.29Å; V199-D609 CarbonylContact C-O 3.59Å; V199-D609 WeakPolarHBondContact CA-O 3.44Å
200	Y	82.9	Confident	73.5	Confident	55 Å²	55	45.2 Å²	45.2	22%	0.216	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.5	174.5	-179.4	-91.1	0	0	0	110.3	V198 D202 D609 G610 I611 F612	V198-Y200 PolarHBondContact O-N 3.03Å; Y200-D202 HydrophobicContact CE1-CB 4.46Å; Y200-D609 PolarHBondContact N-O 2.92Å; Y200-G610 CarbonylContact O-C 3.59Å; Y200-G610 WeakPolarHBondContact O-CA 3.25Å; Y200-I611 PolarHBondContact O-N 3.41Å; Y200-F612 HydrophobicContact CD1-CD1 4.24Å; Y200-F612 AromaticContact CD1-CE1 3.5Å; Y200-F612 HydrophobicContact CD1-CE1 3.5Å; Y200-F612 AromaticContact CD1-CZ 3.71Å; Y200-F612 HydrophobicContact CD1-CZ 3.71Å; Y200-F612 AromaticContact CE1-CD1 3.99Å; Y200-F612 HydrophobicContact CE1-CD1 3.99Å; Y200-F612 AromaticContact CE1-CE1 3.39Å; Y200-F612 HydrophobicContact CE1-CE1 3.39Å; Y200-F612 HydrophobicContact CE1-CZ 4.09Å
201	I	82.5	Confident	73.4	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.046	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.3	175	-64.5	-174.3	0	0	0	107.1	V199 T205 Y206 P258 F590 I611	V199-I201 HydrophobicContact CG1-CG1 4.33Å; I201-T205 HydrophobicContact CG2-CG2 3.64Å; I201-Y206 HydrophobicContact CB-CD2 4.39Å; I201-Y206 HydrophobicContact CB-CE2 3.54Å; I201-Y206 HydrophobicContact CD1-CE1 4.28Å; I201-Y206 WeakPolarHBondContact CD1-OH 3.18Å; I201-Y206 HydrophobicContact CG2-CD1 4.44Å; I201-Y206 HydrophobicContact CG2-CD2 3.69Å; I201-Y206 HydrophobicContact CG2-CE1 4.09Å; I201-Y206 HydrophobicContact CG2-CE2 3.3Å; I201-Y206 HydrophobicContact CG2-CG 4.26Å; I201-P258 HydrophobicContact CD1-CG 3.46Å; I201-P258 VanDerWaalsContact CD1-CG 3.46Å; I201-P258 HydrophobicContact CG1-CG 4.41Å; I201-F590 HydrophobicContact CD1-CD2 3.47Å; I201-F590 VanDerWaalsContact CD1-CD2 3.47Å; I201-F590 HydrophobicContact CD1-CE2 3.45Å; I201-F590 VanDerWaalsContact CD1-CE2 3.45Å; I201-I611 HydrophobicContact CD1-CD1 4.44Å; I201-I611 HydrophobicContact CG1-CB 4.42Å
202	D	74.3	Confident	73.5	Confident	13 Å²	13	43.1 Å²	43.1	7%	0.07	22%	0.223	C	C	.	.			trans	-66	148.3	179.1	-167	11.7	0	0	0	111.1	Y200 D204 T205 I611	Y200-D202 HydrophobicContact CE1-CB 4.46Å; D202-D204 PolarHBondContact O-N 2.9Å; D202-T205 WeakPolarHBondContact CB-OG1 3.44Å; D202-T205 WeakPolarHBondContact O-CB 3.41Å; D202-T205 PolarHBondContact O-N 3.21Å; D202-T205 PolarHBondContact O-OG1 2.87Å; D202-I611 PolarHBondContact N-O 3.33Å
203	R	68.1	Low	73.5	Confident	116 Å²	116	40.1 Å²	40.1	44%	0.438	20%	0.198	S	C	.	.	H	α-helix	trans	-55.8	-42.4	-177.9	-178.4	-178	173.5	178.9	-0.8	110.4	D102 T205 Y206 S207	D102-R203 IonicContact OD2-CZ 3.79Å; D102-R203 IonicContact OD2-NH1 3.63Å; D102-R203 PolarHBondContact OD2-NH1 3.39Å; D102-R203 IonicContact OD2-NH2 3.19Å; D102-R203 PolarHBondContact OD2-NH2 3.23Å; R203-T205 PolarHBondContact O-N 2.74Å; R203-Y206 PolarHBondContact O-N 3.01Å; R203-S207 PolarHBondContact O-OG 2.92Å
204	D	68.8	Low	73.6	Confident	45 Å²	45	41.3 Å²	41.3	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-68.1	-25.3	-179.3	-66.5	-31	0	0	0	112.3	D202 Y206 S207 V210 Q634	D202-D204 PolarHBondContact O-N 2.9Å; D204-Y206 VanDerWaalsContact C-N 3.35Å; D204-Y206 PolarHBondContact O-N 3.23Å; D204-S207 VanDerWaalsContact O-CB 3.27Å; D204-S207 WeakPolarHBondContact O-CB 3.16Å; D204-S207 PolarHBondContact O-N 3.46Å; D204-V210 VanDerWaalsContact O-CB 3.25Å; D204-V210 WeakPolarHBondContact O-CB 3.41Å; D204-V210 WeakPolarHBondContact O-CG2 2.87Å; D204-Q634 PolarHBondContact OD2-NE2 3.48Å
205	T	72.3	Confident	73.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-38	177.3	-53.6	0	0	0	0	112	I201 D202 R203 S207 L211 I611 T613	I201-T205 HydrophobicContact CG2-CG2 3.64Å; D202-T205 WeakPolarHBondContact CB-OG1 3.44Å; D202-T205 WeakPolarHBondContact O-CB 3.41Å; D202-T205 PolarHBondContact O-N 3.21Å; D202-T205 PolarHBondContact O-OG1 2.87Å; R203-T205 PolarHBondContact O-N 2.74Å; T205-S207 VanDerWaalsContact C-N 3.25Å; T205-S207 PolarHBondContact O-N 2.83Å; T205-L211 HydrophobicContact CG2-CD1 3.34Å; T205-L211 HydrophobicContact CG2-CG 3.78Å; T205-L211 WeakPolarHBondContact O-CB 3.42Å; T205-L211 PolarHBondContact O-N 3.32Å; T205-I611 HydrophobicContact CG2-CG2 4.17Å; T205-T613 WeakPolarHBondContact CA-OG1 3.48Å; T205-T613 HydrophobicContact CG2-CG2 3.65Å; T205-T613 WeakPolarHBondContact OG1-CG2 3.45Å; T205-T613 PolarHBondContact OG1-OG1 2.78Å
206	Y	65.8	Low	73.2	Confident	32 Å²	32	42.6 Å²	42.6	13%	0.125	21%	0.209	C	C	.	.	H	α-helix	trans	-70.3	-22.6	176.4	-71.6	-69.5	0	0	0	113.5	I201 R203 D204 I213 F214 F255 L256 F590	I201-Y206 HydrophobicContact CB-CD2 4.39Å; I201-Y206 HydrophobicContact CB-CE2 3.54Å; I201-Y206 HydrophobicContact CD1-CE1 4.28Å; I201-Y206 WeakPolarHBondContact CD1-OH 3.18Å; I201-Y206 HydrophobicContact CG2-CD1 4.44Å; I201-Y206 HydrophobicContact CG2-CD2 3.69Å; I201-Y206 HydrophobicContact CG2-CE1 4.09Å; I201-Y206 HydrophobicContact CG2-CE2 3.3Å; I201-Y206 HydrophobicContact CG2-CG 4.26Å; R203-Y206 PolarHBondContact O-N 3.01Å; D204-Y206 VanDerWaalsContact C-N 3.35Å; D204-Y206 PolarHBondContact O-N 3.23Å; Y206-I213 HydrophobicContact CD1-CB 4.12Å; Y206-I213 HydrophobicContact CD1-CD1 3.66Å; Y206-I213 HydrophobicContact CD1-CG1 4.47Å; Y206-I213 HydrophobicContact CD1-CG2 4.01Å; Y206-I213 HydrophobicContact CE1-CD1 3.98Å; Y206-I213 HydrophobicContact CE1-CG2 4.41Å; Y206-F214 HydrophobicContact CD1-CD2 4.08Å; Y206-F214 AromaticContact CD1-CE2 3.88Å; Y206-F214 HydrophobicContact CD1-CE2 3.88Å; Y206-F214 HydrophobicContact CE1-CE2 4.27Å; Y206-F255 WeakPolarHBondContact CE1-O 3.28Å; Y206-F255 PolarHBondContact OH-O 2.98Å; Y206-L256 HydrophobicContact CE1-CD2 4.49Å; Y206-L256 PolarHBondContact OH-O 2.88Å; Y206-L256 VanDerWaalsContact OH-O 3.05Å; Y206-F590 HydrophobicContact CE1-CE2 4.23Å
207	S	62.5	Low	72.8	Confident	28 Å²	28	37.6 Å²	37.6	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	-62	150.9	-173.4	-65.2	0	0	0	0	112.9	R203 D204 T205 S209 V210 Q212	R203-S207 PolarHBondContact O-OG 2.92Å; D204-S207 VanDerWaalsContact O-CB 3.27Å; D204-S207 WeakPolarHBondContact O-CB 3.16Å; D204-S207 PolarHBondContact O-N 3.46Å; T205-S207 VanDerWaalsContact C-N 3.25Å; T205-S207 PolarHBondContact O-N 2.83Å; S207-S209 PolarHBondContact O-N 3.49Å; S207-V210 PolarHBondContact O-N 3.41Å; S207-V210 VanDerWaalsContact O-N 3.11Å; S207-Q212 PolarHBondContact O-N 3.47Å
208	P	53.9	Low	71.9	Confident	59 Å²	59	37.3 Å²	37.3	38%	0.383	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.5	-179.7	24.4	-34.6	0	0	0	113.7	K215	P208-K215 HydrophobicContact CB-CB 4.23Å; P208-K215 HydrophobicContact CB-CD 4.38Å; P208-K215 HydrophobicContact CB-CG 3.93Å
209	S	52.4	Low	70.5	Confident	35 Å²	35	40 Å²	40	25%	0.245	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-23.6	179.3	53.1	0	0	0	0	113.9	S207 K583	S207-S209 PolarHBondContact O-N 3.49Å; S209-K583 PolarHBondContact O-NZ 3.24Å
210	V	70.8	Confident	69.1	Low	1 Å²	1	46 Å²	46	1%	0.006	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-90.6	-172.6	-173.2	0	0	0	0	110.9	D204 S207 K583 T613 M615	D204-V210 VanDerWaalsContact O-CB 3.25Å; D204-V210 WeakPolarHBondContact O-CB 3.41Å; D204-V210 WeakPolarHBondContact O-CG2 2.87Å; S207-V210 PolarHBondContact O-N 3.41Å; S207-V210 VanDerWaalsContact O-N 3.11Å; V210-K583 WeakPolarHBondContact O-CD 3.12Å; V210-K583 WeakPolarHBondContact O-CE 3.44Å; V210-K583 WeakPolarHBondContact O-CG 3.37Å; V210-K583 PolarHBondContact O-NZ 3.02Å; V210-T613 HydrophobicContact CG1-CG2 3.9Å; V210-M615 HydrophobicContact CG1-CB 4.08Å; V210-M615 HydrophobicContact CG1-CG 3.97Å; V210-M615 HydrophobicContact CG1-SD 3.69Å; V210-M615 HydrophobicContact CG2-CB 4.14Å
211	L	77.2	Confident	67.4	Low	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-11.6	178.2	-61.9	-171.6	0	0	0	112.9	T205 I213 K583 L587 L649	T205-L211 HydrophobicContact CG2-CD1 3.34Å; T205-L211 HydrophobicContact CG2-CG 3.78Å; T205-L211 WeakPolarHBondContact O-CB 3.42Å; T205-L211 PolarHBondContact O-N 3.32Å; L211-I213 HydrophobicContact CB-CD1 4.16Å; L211-I213 HydrophobicContact CB-CG1 3.85Å; L211-I213 HydrophobicContact CD1-CD1 4.3Å; L211-I213 PolarHBondContact O-N 3.05Å; L211-K583 HydrophobicContact CD2-CB 4.16Å; L211-K583 HydrophobicContact CD2-CG 4.18Å; L211-L587 HydrophobicContact CB-CD2 4.04Å; L211-L587 HydrophobicContact CB-CG 4.43Å; L211-L587 HydrophobicContact CD2-CG 4.4Å; L211-L587 WeakPolarHBondContact O-CD2 3.48Å; L211-L649 HydrophobicContact CD2-CD1 4.39Å
212	Q	82.6	Confident	65.9	Low	47 Å²	47	50.2 Å²	50.2	22%	0.22	28%	0.276	C	S	.	.			trans	55.9	40.6	178.4	-163.1	174.8	-22.3	0	0	111.8	S207 K215 L233 S234 L235 L545	S207-Q212 PolarHBondContact O-N 3.47Å; Q212-K215 HydrophobicContact CG-CB 4.32Å; Q212-K215 HydrophobicContact CG-CD 4.28Å; Q212-L233 PolarHBondContact NE2-O 3.49Å; Q212-S234 WeakPolarHBondContact O-CA 3.49Å; Q212-L235 PolarHBondContact O-N 3.45Å; Q212-L545 HydrophobicContact CB-CD1 3.8Å; Q212-L545 HydrophobicContact CG-CD1 4.04Å
213	I	82.4	Confident	64.7	Low	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-64.7	-47.7	177.5	-63.6	173	0	0	0	109.1	Y206 L211 L235 Y236 F255 F590	Y206-I213 HydrophobicContact CD1-CB 4.12Å; Y206-I213 HydrophobicContact CD1-CD1 3.66Å; Y206-I213 HydrophobicContact CD1-CG1 4.47Å; Y206-I213 HydrophobicContact CD1-CG2 4.01Å; Y206-I213 HydrophobicContact CE1-CD1 3.98Å; Y206-I213 HydrophobicContact CE1-CG2 4.41Å; L211-I213 HydrophobicContact CB-CD1 4.16Å; L211-I213 HydrophobicContact CB-CG1 3.85Å; L211-I213 HydrophobicContact CD1-CD1 4.3Å; L211-I213 PolarHBondContact O-N 3.05Å; I213-L235 PolarHBondContact O-N 3.33Å; I213-Y236 WeakPolarHBondContact O-CB 3.45Å; I213-Y236 PolarHBondContact O-N 3Å; I213-Y236 VanDerWaalsContact O-N 3.07Å; I213-F255 HydrophobicContact CG2-CD1 3.72Å; I213-F590 HydrophobicContact CD1-CD2 3.96Å; I213-F590 HydrophobicContact CD1-CE1 4.38Å; I213-F590 HydrophobicContact CD1-CE2 3.75Å; I213-F590 HydrophobicContact CD1-CG 4.34Å; I213-F590 HydrophobicContact CD1-CZ 3.98Å; I213-F590 HydrophobicContact CG2-CE1 4.11Å; I213-F590 HydrophobicContact CG2-CZ 3.85Å
214	F	83.1	Confident	63.9	Low	27 Å²	27	60.5 Å²	60.5	12%	0.118	32%	0.318	C	S	.	.			trans	-119	141.4	170.7	-58.8	-69.1	0	0	0	109.6	Y206 Y236 R252 F255 L256	Y206-F214 HydrophobicContact CD1-CD2 4.08Å; Y206-F214 AromaticContact CD1-CE2 3.88Å; Y206-F214 HydrophobicContact CD1-CE2 3.88Å; Y206-F214 HydrophobicContact CE1-CE2 4.27Å; F214-Y236 AromaticContact CD1-CD1 3.84Å; F214-Y236 HydrophobicContact CD1-CD1 3.84Å; F214-Y236 HydrophobicContact CD1-CG 4.01Å; F214-Y236 AromaticContact CE1-CD1 3.76Å; F214-Y236 HydrophobicContact CE1-CD1 3.76Å; F214-Y236 HydrophobicContact CE1-CD2 4.33Å; F214-Y236 AromaticContact CE1-CG 3.69Å; F214-Y236 HydrophobicContact CE1-CG 3.69Å; F214-R252 HydrophobicContact CE1-CG 3.88Å; F214-R252 HydrophobicContact CZ-CG 4.15Å; F214-F255 HydrophobicContact CE1-CB 4.16Å; F214-F255 HydrophobicContact CE2-CB 4.34Å; F214-F255 HydrophobicContact CZ-CB 3.53Å; F214-F255 HydrophobicContact CZ-CD1 4.5Å; F214-F255 HydrophobicContact CZ-CG 4.43Å; F214-L256 HydrophobicContact CD2-CD2 4.5Å; F214-L256 HydrophobicContact CE2-CD2 3.58Å; F214-L256 HydrophobicContact CE2-CG 4.03Å; F214-L256 HydrophobicContact CZ-CD2 4.09Å; F214-L256 HydrophobicContact CZ-CG 4.02Å
215	K	76.4	Confident	62.8	Low	61 Å²	61	62.9 Å²	62.9	27%	0.265	33%	0.33	S	S	.	.			trans	-144.6	112.5	171.2	-174.1	178.2	-179.8	-140	0	108.7	P208 Q212 D217 E231 G232	P208-K215 HydrophobicContact CB-CB 4.23Å; P208-K215 HydrophobicContact CB-CD 4.38Å; P208-K215 HydrophobicContact CB-CG 3.93Å; Q212-K215 HydrophobicContact CG-CB 4.32Å; Q212-K215 HydrophobicContact CG-CD 4.28Å; K215-D217 WeakPolarHBondContact CE-OD1 3.38Å; K215-D217 IonicContact NZ-OD1 3.58Å; K215-D217 PolarHBondContact NZ-OD1 2.73Å; K215-D217 IonicContact NZ-OD2 3.49Å; K215-D217 PolarHBondContact NZ-OD2 2.94Å; K215-E231 WeakPolarHBondContact O-CA 3.14Å; K215-G232 PolarHBondContact O-N 2.59Å
216	S	66.1	Low	61.4	Low	58 Å²	58	72.3 Å²	72.3	41%	0.406	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.3	168.6	-61	0	0	0	0	108	E229	S216-E229 VanDerWaalsContact CB-OE2 3.27Å; S216-E229 WeakPolarHBondContact CB-OE2 3.17Å; S216-E229 PolarHBondContact OG-OE2 2.89Å
217	D	62	Low	60.2	Low	68 Å²	68	74.3 Å²	74.3	36%	0.364	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.1	169	-79	-26.5	0	0	0	107.6	K215 K230 G232	K215-D217 WeakPolarHBondContact CE-OD1 3.38Å; K215-D217 IonicContact NZ-OD1 3.58Å; K215-D217 PolarHBondContact NZ-OD1 2.73Å; K215-D217 IonicContact NZ-OD2 3.49Å; K215-D217 PolarHBondContact NZ-OD2 2.94Å; D217-K230 PolarHBondContact N-O 3.48Å; D217-G232 WeakPolarHBondContact OD2-CA 3.48Å
218	L	57.3	Low	59.6	Low	109 Å²	109	75.4 Å²	75.4	57%	0.571	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-68.4	138.4	175.8	-71.3	161	0	0	0	109.3	L225 E229	L218-L225 HydrophobicContact CD2-CD2 4.16Å; L218-E229 HydrophobicContact CD2-CG 4.44Å
219	H	54.8	Low	59.6	Low	75 Å²	75	78.9 Å²	78.9	35%	0.347	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-60.1	132.7	177.4	-165.3	-83.8	0	0	0	109.8	S221	H219-S221 PolarHBondContact CE1-OG 3.07Å; H219-S221 VanDerWaalsContact CE1-OG 3.25Å; H219-S221 PolarHBondContact ND1-N 3.44Å; H219-S221 PolarHBondContact ND1-OG 2.94Å; H219-S221 PolarHBondContact O-N 2.88Å
220	P	55	Low	60	Low	127 Å²	127	83.9 Å²	83.9	83%	0.825	44%	0.437	S	S	*	.	S	Bend	trans	-65.2	-10	-174.4	21.6	-31.6	0	0	0	114.4
221	S	46	Very low	59.8	Low	41 Å²	41	87.1 Å²	87.1	29%	0.287	45%	0.452	S	S	.	.			trans	-95.6	121.5	175.8	70.5	0	0	0	0	112	H219 Y223 K224	H219-S221 PolarHBondContact CE1-OG 3.07Å; H219-S221 VanDerWaalsContact CE1-OG 3.25Å; H219-S221 PolarHBondContact ND1-N 3.44Å; H219-S221 PolarHBondContact ND1-OG 2.94Å; H219-S221 PolarHBondContact O-N 2.88Å; S221-Y223 PolarHBondContact O-N 2.78Å; S221-Y223 VanDerWaalsContact O-N 3.16Å; S221-K224 PolarHBondContact O-N 3.45Å; S221-K224 WeakPolarHBondContact OG-CB 3.39Å
222	V	51.5	Low	59.4	Low	112 Å²	112	87.6 Å²	87.6	68%	0.679	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-55.7	-33.2	178.2	-179.6	0	0	0	0	112.9	K224 L225	V222-K224 VanDerWaalsContact C-N 3.26Å; V222-K224 PolarHBondContact O-N 2.51Å; V222-L225 HydrophobicContact CB-CD1 4.19Å; V222-L225 HydrophobicContact CG1-CD1 3.85Å; V222-L225 WeakPolarHBondContact O-CB 3.26Å; V222-L225 WeakPolarHBondContact O-CD1 3.37Å; V222-L225 PolarHBondContact O-N 2.97Å
223	Y	48.5	Very low	59.3	Low	233 Å²	233	88.9 Å²	88.9	91%	0.914	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-72.2	-13.3	178.8	-70.4	-80.8	0	0	0	114.9	S221	S221-Y223 PolarHBondContact O-N 2.78Å; S221-Y223 VanDerWaalsContact O-N 3.16Å
224	K	52.2	Low	59.5	Low	111 Å²	111	88.9 Å²	88.9	48%	0.483	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-112.8	17.2	175.8	-69.4	-167.8	174.5	-168.2	0	112.5	S221 V222 Q226 S227	S221-K224 PolarHBondContact O-N 3.45Å; S221-K224 WeakPolarHBondContact OG-CB 3.39Å; V222-K224 VanDerWaalsContact C-N 3.26Å; V222-K224 PolarHBondContact O-N 2.51Å; K224-Q226 PolarHBondContact O-N 2.57Å; K224-Q226 VanDerWaalsContact O-N 3.1Å; K224-S227 PolarHBondContact O-N 3.38Å
225	L	45	Very low	59.7	Low	95 Å²	95	87.6 Å²	87.6	50%	0.497	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.1	174.5	-93.2	155.7	0	0	0	113.1	L218 V222	L218-L225 HydrophobicContact CD2-CD2 4.16Å; V222-L225 HydrophobicContact CB-CD1 4.19Å; V222-L225 HydrophobicContact CG1-CD1 3.85Å; V222-L225 WeakPolarHBondContact O-CB 3.26Å; V222-L225 WeakPolarHBondContact O-CD1 3.37Å; V222-L225 PolarHBondContact O-N 2.97Å
226	Q	42.8	Very low	60.3	Low	199 Å²	199	85.2 Å²	85.2	93%	0.93	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-12.3	174.8	-67.2	-179.1	-19.9	0	0	113.8	K224 G228	K224-Q226 PolarHBondContact O-N 2.57Å; K224-Q226 VanDerWaalsContact O-N 3.1Å; Q226-G228 PolarHBondContact O-N 3.31Å
227	S	41.3	Very low	61.3	Low	74 Å²	74	84.1 Å²	84.1	52%	0.517	45%	0.448	S	S	.	.	S	Bend	trans	-92.2	81.1	179.4	171.1	0	0	0	0	108.7	K224	K224-S227 PolarHBondContact O-N 3.38Å
228	G	49.2	Very low	62.5	Low	51 Å²	51	81.3 Å²	81.3	53%	0.526	43%	0.433	S	S	.	.			trans	60.1	117.2	163.7	0	0	0	0	0	116.6	Q226 K230	Q226-G228 PolarHBondContact O-N 3.31Å; G228-K230 PolarHBondContact O-N 2.99Å; G228-K230 VanDerWaalsContact O-N 3.09Å
229	E	55.4	Low	64.1	Low	131 Å²	131	76.1 Å²	76.1	61%	0.612	41%	0.406	S	S	*	.			trans	-58.8	115.1	161	-68.6	-174.8	178.3	0	0	109	S216 L218	S216-E229 VanDerWaalsContact CB-OE2 3.27Å; S216-E229 WeakPolarHBondContact CB-OE2 3.17Å; S216-E229 PolarHBondContact OG-OE2 2.89Å; L218-E229 HydrophobicContact CD2-CG 4.44Å
230	K	60.6	Low	65.7	Low	141 Å²	141	74.4 Å²	74.4	61%	0.613	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	142.7	172.4	-73.5	-167.5	177.7	-172.1	0	109.2	D217 G228 G232	D217-K230 PolarHBondContact N-O 3.48Å; G228-K230 PolarHBondContact O-N 2.99Å; G228-K230 VanDerWaalsContact O-N 3.09Å; K230-G232 PolarHBondContact O-N 3.26Å
231	E	66.4	Low	67.2	Low	68 Å²	68	70.9 Å²	70.9	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120.8	173.7	-176.1	141.1	-145.6	0	0	110.2	K215 S234 Y236	K215-E231 WeakPolarHBondContact O-CA 3.14Å; E231-S234 WeakPolarHBondContact CG-OG 3.38Å; E231-S234 PolarHBondContact OE1-OG 3.34Å; E231-Y236 WeakPolarHBondContact OE1-CB 3.48Å; E231-Y236 WeakPolarHBondContact OE1-CD1 3.45Å; E231-Y236 WeakPolarHBondContact OE2-CD1 3.02Å; E231-Y236 WeakPolarHBondContact OE2-CE1 3.41Å
232	G	69.1	Low	69.2	Low	12 Å²	12	69.8 Å²	69.8	12%	0.124	36%	0.361	C	S	.	.			trans	-74.4	-173.3	171.3	0	0	0	0	0	112	K215 D217 K230 S234	K215-G232 PolarHBondContact O-N 2.59Å; D217-G232 WeakPolarHBondContact OD2-CA 3.48Å; K230-G232 PolarHBondContact O-N 3.26Å; G232-S234 PolarHBondContact O-N 2.84Å
233	L	79.5	Confident	70.9	Confident	73 Å²	73	68.4 Å²	68.4	38%	0.382	35%	0.346	S	S	.	.	S	Bend	trans	-60.4	106.9	172.1	-172.7	73.2	0	0	0	109.1	Q212 L545 L548 C549	Q212-L233 PolarHBondContact NE2-O 3.49Å; L233-L545 HydrophobicContact CG-CD2 4.05Å; L233-L548 HydrophobicContact CD1-CD1 4.42Å; L233-C549 VanDerWaalsContact CD2-SG 3.55Å
234	S	87.3	Confident	72.6	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	31%	0.305	C	S	.	.			trans	-144.2	164.3	-178.2	75.3	0	0	0	0	109.9	Q212 E231 G232 Y236 G237 I238	Q212-S234 WeakPolarHBondContact O-CA 3.49Å; E231-S234 WeakPolarHBondContact CG-OG 3.38Å; E231-S234 PolarHBondContact OE1-OG 3.34Å; G232-S234 PolarHBondContact O-N 2.84Å; S234-Y236 VanDerWaalsContact C-N 3.27Å; S234-Y236 PolarHBondContact O-N 3.22Å; S234-Y236 PolarHBondContact OG-N 3.06Å; S234-G237 PolarHBondContact O-N 3.27Å; S234-G237 PolarHBondContact OG-N 2.92Å; S234-I238 WeakPolarHBondContact O-CG1 3.47Å; S234-I238 PolarHBondContact O-N 3.35Å; S234-I238 VanDerWaalsContact O-N 3.07Å
235	L	87.4	Confident	74.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-42.1	174.7	-175.4	70.5	0	0	0	111	Q212 I213 I238 L239 F255 P544 L587 F590 M591	Q212-L235 PolarHBondContact O-N 3.45Å; I213-L235 PolarHBondContact O-N 3.33Å; L235-I238 PolarHBondContact O-N 3.38Å; L235-L239 HydrophobicContact CD1-CD1 4.12Å; L235-L239 HydrophobicContact CG-CD1 4.11Å; L235-L239 PolarHBondContact O-N 3.47Å; L235-L239 VanDerWaalsContact O-N 3.16Å; L235-F255 HydrophobicContact CB-CE1 4.32Å; L235-F255 HydrophobicContact CD2-CE1 3.91Å; L235-F255 HydrophobicContact CG-CE1 3.89Å; L235-P544 HydrophobicContact CD1-CB 4.32Å; L235-P544 HydrophobicContact CD1-CG 3.97Å; L235-L587 HydrophobicContact CB-CD2 4.43Å; L235-L587 HydrophobicContact CD1-CD2 4.48Å; L235-L587 HydrophobicContact CD2-CD2 3.87Å; L235-L587 HydrophobicContact CG-CD2 4.48Å; L235-F590 HydrophobicContact CD2-CD1 3.49Å; L235-F590 VanDerWaalsContact CD2-CD1 3.49Å; L235-F590 HydrophobicContact CD2-CE1 3.6Å; L235-M591 HydrophobicContact CD1-CG 4.12Å; L235-M591 HydrophobicContact CD1-SD 3.84Å; L235-M591 HydrophobicContact CD2-CG 4.03Å
236	Y	89.2	Confident	75.9	Confident	10 Å²	10	55.4 Å²	55.4	4%	0.039	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-41	177.1	177.1	-121.3	0	0	0	110.9	I213 F214 E231 S234 I238 L239 N240 S248 L251 R252 F255	I213-Y236 WeakPolarHBondContact O-CB 3.45Å; I213-Y236 PolarHBondContact O-N 3Å; I213-Y236 VanDerWaalsContact O-N 3.07Å; F214-Y236 AromaticContact CD1-CD1 3.84Å; F214-Y236 HydrophobicContact CD1-CD1 3.84Å; F214-Y236 HydrophobicContact CD1-CG 4.01Å; F214-Y236 AromaticContact CE1-CD1 3.76Å; F214-Y236 HydrophobicContact CE1-CD1 3.76Å; F214-Y236 HydrophobicContact CE1-CD2 4.33Å; F214-Y236 AromaticContact CE1-CG 3.69Å; F214-Y236 HydrophobicContact CE1-CG 3.69Å; E231-Y236 WeakPolarHBondContact OE1-CB 3.48Å; E231-Y236 WeakPolarHBondContact OE1-CD1 3.45Å; E231-Y236 WeakPolarHBondContact OE2-CD1 3.02Å; E231-Y236 WeakPolarHBondContact OE2-CE1 3.41Å; S234-Y236 VanDerWaalsContact C-N 3.27Å; S234-Y236 PolarHBondContact O-N 3.22Å; S234-Y236 PolarHBondContact OG-N 3.06Å; Y236-I238 VanDerWaalsContact C-N 3.34Å; Y236-I238 PolarHBondContact O-N 3.28Å; Y236-L239 PolarHBondContact O-N 3.3Å; Y236-N240 HydrophobicContact CD2-CB 4.11Å; Y236-N240 HydrophobicContact CE2-CB 3.82Å; Y236-N240 WeakPolarHBondContact O-CA 3.42Å; Y236-N240 WeakPolarHBondContact O-CB 3.43Å; Y236-N240 PolarHBondContact O-N 3.36Å; Y236-N240 PolarHBondContact OH-ND2 2.87Å; Y236-S248 PolarHBondContact OH-O 3.36Å; Y236-L251 HydrophobicContact CD2-CD2 4.24Å; Y236-L251 HydrophobicContact CD2-CG 4.21Å; Y236-L251 HydrophobicContact CE2-CB 4.03Å; Y236-L251 HydrophobicContact CE2-CD2 3.87Å; Y236-L251 HydrophobicContact CE2-CG 3.84Å; Y236-R252 HydrophobicContact CE1-CB 4.35Å; Y236-R252 HydrophobicContact CE1-CG 4.47Å; Y236-R252 HydrophobicContact CE2-CB 3.94Å; Y236-F255 VanDerWaalsContact CA-CE1 3.46Å; Y236-F255 HydrophobicContact CD2-CD1 4.27Å; Y236-F255 HydrophobicContact CD2-CD2 4.36Å; Y236-F255 HydrophobicContact CD2-CE1 4.3Å; Y236-F255 HydrophobicContact CD2-CE2 4.36Å; Y236-F255 HydrophobicContact CD2-CG 4.31Å; Y236-F255 HydrophobicContact CD2-CZ 4.31Å; Y236-F255 HydrophobicContact CG-CD1 4.45Å
237	G	86.1	Confident	77.9	Confident	36 Å²	36	46 Å²	46	37%	0.371	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-31.6	176.4	0	0	0	0	0	114.5	S234	S234-G237 PolarHBondContact O-N 3.27Å; S234-G237 PolarHBondContact OG-N 2.92Å
238	I	89	Confident	80.1	Confident	9 Å²	9	43.8 Å²	43.8	5%	0.046	23%	0.232	C	C	.	.	H	α-helix	trans	-72.4	-43.4	175.7	-69.1	175.6	0	0	0	111.4	S234 L235 Y236 Y523 L545 L548	S234-I238 WeakPolarHBondContact O-CG1 3.47Å; S234-I238 PolarHBondContact O-N 3.35Å; S234-I238 VanDerWaalsContact O-N 3.07Å; L235-I238 PolarHBondContact O-N 3.38Å; Y236-I238 VanDerWaalsContact C-N 3.34Å; Y236-I238 PolarHBondContact O-N 3.28Å; I238-Y523 HydrophobicContact CG2-CD2 4Å; I238-Y523 HydrophobicContact CG2-CE2 3.31Å; I238-L545 HydrophobicContact CD1-CD2 3.34Å; I238-L545 HydrophobicContact CD1-CG 4.15Å; I238-L545 HydrophobicContact CG1-CD2 4.21Å; I238-L548 HydrophobicContact CD1-CD1 3.43Å; I238-L548 VanDerWaalsContact CD1-CD1 3.43Å; I238-L548 HydrophobicContact CD1-CG 4.43Å; I238-L548 HydrophobicContact CG1-CD1 3.81Å
239	L	88.8	Confident	81.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-85.7	-24.7	-174.7	-71.4	176.8	0	0	0	112.8	L235 Y236 R241 F255 A519 Y525 M591 I594	L235-L239 HydrophobicContact CD1-CD1 4.12Å; L235-L239 HydrophobicContact CG-CD1 4.11Å; L235-L239 PolarHBondContact O-N 3.47Å; L235-L239 VanDerWaalsContact O-N 3.16Å; Y236-L239 PolarHBondContact O-N 3.3Å; L239-R241 PolarHBondContact O-N 2.95Å; L239-F255 HydrophobicContact CB-CZ 3.89Å; L239-F255 HydrophobicContact CD1-CE1 4.25Å; L239-F255 HydrophobicContact CD1-CE2 4.37Å; L239-F255 HydrophobicContact CD1-CZ 3.5Å; L239-F255 VanDerWaalsContact CD1-CZ 3.5Å; L239-F255 HydrophobicContact CG-CZ 4.28Å; L239-A519 HydrophobicContact CD2-CB 3.8Å; L239-Y525 HydrophobicContact CD2-CE2 4.34Å; L239-M591 HydrophobicContact CD1-CE 4.01Å; L239-M591 HydrophobicContact CD1-CG 4.45Å; L239-M591 HydrophobicContact CD2-CE 4.23Å; L239-I594 HydrophobicContact CD1-CD1 4.18Å
240	N	88.8	Confident	83.4	Confident	39 Å²	39	41.6 Å²	41.6	21%	0.209	21%	0.207	C	C	.	.			trans	-77.3	95.1	178.3	-174.1	18.1	0	0	0	111	Y236 C242 S248 L251	Y236-N240 HydrophobicContact CD2-CB 4.11Å; Y236-N240 HydrophobicContact CE2-CB 3.82Å; Y236-N240 WeakPolarHBondContact O-CA 3.42Å; Y236-N240 WeakPolarHBondContact O-CB 3.43Å; Y236-N240 PolarHBondContact O-N 3.36Å; Y236-N240 PolarHBondContact OH-ND2 2.87Å; N240-C242 WeakPolarHBondContact OD1-CB 3.38Å; N240-C242 PolarHBondContact OD1-N 3.39Å; N240-C242 PolarHBondContact OD1-SG 2.85Å; N240-S248 PolarHBondContact OD1-OG 3.47Å; N240-L251 HydrophobicContact CB-CD2 3.86Å
241	R	87.5	Confident	84.8	Confident	52 Å²	52	34.9 Å²	34.9	20%	0.196	18%	0.178	C	C	.	.			trans	-118.7	17.8	171.4	-60.4	-179.7	176.3	-150.7	-15.7	112.1	L239 A515 S518 E522 Y523	L239-R241 PolarHBondContact O-N 2.95Å; R241-A515 HydrophobicContact CB-CB 4.04Å; R241-S518 PolarHBondContact NH1-OG 3.25Å; R241-E522 IonicContact CZ-OE1 3.63Å; R241-E522 IonicContact CZ-OE2 3.28Å; R241-E522 IonicContact NH1-OE2 2.77Å; R241-E522 PolarHBondContact NH1-OE2 3.18Å; R241-E522 IonicContact NH2-OE1 3.28Å; R241-E522 PolarHBondContact NH2-OE1 3.13Å; R241-E522 IonicContact NH2-OE2 2.71Å; R241-E522 PolarHBondContact NH2-OE2 3.25Å; R241-Y523 PolarHBondContact NH2-OH 3.46Å
242	C	88.2	Confident	85.9	Confident	18 Å²	18	36.4 Å²	36.4	12%	0.122	18%	0.181	C	C	.	.			trans	-57.6	141.9	-178	-65.1	0	0	0	0	110.1	N240 D511 A515	N240-C242 WeakPolarHBondContact OD1-CB 3.38Å; N240-C242 PolarHBondContact OD1-N 3.39Å; N240-C242 PolarHBondContact OD1-SG 2.85Å; C242-D511 WeakPolarHBondContact CA-OD1 3.24Å; C242-D511 WeakPolarHBondContact CB-OD2 3.38Å; C242-A515 HydrophobicContact CB-CB 4.48Å; C242-A515 VanDerWaalsContact SG-CB 3.55Å
243	K	86.3	Confident	86.7	Confident	83 Å²	83	39.1 Å²	39.1	36%	0.361	19%	0.19	S	C	.	.	S	Bend	trans	-92.9	-18.3	177.5	-59.7	-52.5	-177.4	-166.6	0	112.6	Q288 L291 R292 D511	K243-Q288 HydrophobicContact CG-CB 4.12Å; K243-Q288 HydrophobicContact CG-CG 4.31Å; K243-L291 HydrophobicContact CB-CB 4.3Å; K243-R292 HydrophobicContact CB-CB 4.42Å; K243-D511 PolarHBondContact N-OD1 3.29Å; K243-D511 PolarHBondContact N-OD2 3.4Å
244	S	84.7	Confident	87.2	Confident	7 Å²	7	36.7 Å²	36.7	5%	0.049	18%	0.176	C	C	.	.	S	Bend	trans	-105.7	146.3	176.1	-174.7	0	0	0	0	111.9	F246 G247 S248 D511	S244-F246 PolarHBondContact O-N 2.89Å; S244-F246 PolarHBondContact OG-N 2.88Å; S244-G247 PolarHBondContact O-N 2.96Å; S244-S248 PolarHBondContact O-N 2.92Å; S244-S248 VanDerWaalsContact O-N 3.07Å; S244-S248 PolarHBondContact O-OG 3.48Å; S244-D511 WeakPolarHBondContact CB-OD2 3.32Å; S244-D511 PolarHBondContact N-OD2 3.39Å
245	K	83.3	Confident	87.3	Confident	128 Å²	128	36.7 Å²	36.7	56%	0.557	18%	0.176	S	C	*	.	H	α-helix	trans	-59.4	-35.1	170.1	-68.5	-176.9	-179.2	177.1	0	111.1	E25 S248 K249	E25-K245 IonicContact OE2-NZ 3.47Å; E25-K245 PolarHBondContact OE2-NZ 2.88Å; K245-S248 PolarHBondContact O-N 2.84Å; K245-K249 PolarHBondContact O-N 3.46Å
246	F	82.3	Confident	87.2	Confident	32 Å²	32	38.5 Å²	38.5	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-68	-42.8	177	-64.9	-74.1	0	0	0	112.6	S244 S248 K249 L250 R295 N296 P298 A508	S244-F246 PolarHBondContact O-N 2.89Å; S244-F246 PolarHBondContact OG-N 2.88Å; F246-S248 VanDerWaalsContact C-N 3.29Å; F246-S248 PolarHBondContact O-N 3.28Å; F246-K249 PolarHBondContact O-N 3.33Å; F246-L250 WeakPolarHBondContact O-CB 3.37Å; F246-L250 PolarHBondContact O-N 2.94Å; F246-R295 WeakPolarHBondContact CE2-O 3.26Å; F246-N296 HydrophobicContact CZ-CB 4.26Å; F246-P298 HydrophobicContact CE1-CG 3.88Å; F246-P298 VanDerWaalsContact CZ-CD 3.41Å; F246-P298 HydrophobicContact CZ-CG 3.98Å; F246-A508 HydrophobicContact CB-CB 4.05Å
247	G	86.2	Confident	87	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-43.5	173	0	0	0	0	0	111.1	S244 L250 L251 C512	S244-G247 PolarHBondContact O-N 2.96Å; G247-L250 PolarHBondContact O-N 3.31Å; G247-L251 VanDerWaalsContact O-CB 3.27Å; G247-L251 WeakPolarHBondContact O-CB 3.42Å; G247-L251 PolarHBondContact O-N 2.94Å; G247-C512 PolarHBondContact O-SG 3.36Å
248	S	86.9	Confident	87.2	Confident	28 Å²	28	38.6 Å²	38.6	20%	0.196	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-46.6	175	-61.5	0	0	0	0	112.4	Y236 N240 S244 K245 F246 L250 L251 R252	Y236-S248 PolarHBondContact OH-O 3.36Å; N240-S248 PolarHBondContact OD1-OG 3.47Å; S244-S248 PolarHBondContact O-N 2.92Å; S244-S248 VanDerWaalsContact O-N 3.07Å; S244-S248 PolarHBondContact O-OG 3.48Å; K245-S248 PolarHBondContact O-N 2.84Å; F246-S248 VanDerWaalsContact C-N 3.29Å; F246-S248 PolarHBondContact O-N 3.28Å; S248-L250 PolarHBondContact O-N 3.46Å; S248-L251 PolarHBondContact O-N 3.44Å; S248-R252 WeakPolarHBondContact O-CB 3.31Å; S248-R252 PolarHBondContact O-N 2.87Å
249	K	85.1	Confident	87.3	Confident	103 Å²	103	39.1 Å²	39.1	45%	0.448	18%	0.178	S	C	.	.	H	α-helix	trans	-58.9	-45.7	177.3	-171.2	179.4	177.2	-177.1	0	111.1	D49 D52 K245 F246 R252 Q253	D49-K249 IonicContact OD2-NZ 3.66Å; D49-K249 PolarHBondContact OD2-NZ 2.95Å; D52-K249 IonicContact OD2-NZ 2.76Å; D52-K249 PolarHBondContact OD2-NZ 3.16Å; K245-K249 PolarHBondContact O-N 3.46Å; F246-K249 PolarHBondContact O-N 3.33Å; K249-R252 PolarHBondContact O-N 3.34Å; K249-Q253 PolarHBondContact O-N 2.97Å
250	L	88.9	Confident	87.3	Confident	34 Å²	34	42.5 Å²	42.5	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-41.7	179	-176.9	65.3	0	0	0	112.3	F246 G247 S248 R252 Q253 W254 A508 E509	F246-L250 WeakPolarHBondContact O-CB 3.37Å; F246-L250 PolarHBondContact O-N 2.94Å; G247-L250 PolarHBondContact O-N 3.31Å; S248-L250 PolarHBondContact O-N 3.46Å; L250-R252 VanDerWaalsContact C-N 3.33Å; L250-R252 PolarHBondContact O-N 3.3Å; L250-Q253 CarbonylContact O-C 3.59Å; L250-Q253 WeakPolarHBondContact O-CA 3.47Å; L250-Q253 VanDerWaalsContact O-CB 3.32Å; L250-Q253 WeakPolarHBondContact O-CB 3.48Å; L250-Q253 PolarHBondContact O-N 3.21Å; L250-Q253 VanDerWaalsContact O-N 3.13Å; L250-W254 HydrophobicContact CD2-CZ2 3.94Å; L250-W254 HydrophobicContact CG-CZ2 4.22Å; L250-W254 PolarHBondContact O-N 3.21Å; L250-A508 HydrophobicContact CB-CB 4.32Å; L250-A508 HydrophobicContact CD2-CB 3.74Å; L250-E509 HydrophobicContact CD2-CB 4.3Å
251	L	90.5	Very high	87.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-42.9	177	-174.3	65.5	0	0	0	110.8	Y236 N240 G247 S248 Q253 W254 F255 C512 M516	Y236-L251 HydrophobicContact CD2-CD2 4.24Å; Y236-L251 HydrophobicContact CD2-CG 4.21Å; Y236-L251 HydrophobicContact CE2-CB 4.03Å; Y236-L251 HydrophobicContact CE2-CD2 3.87Å; Y236-L251 HydrophobicContact CE2-CG 3.84Å; N240-L251 HydrophobicContact CB-CD2 3.86Å; G247-L251 VanDerWaalsContact O-CB 3.27Å; G247-L251 WeakPolarHBondContact O-CB 3.42Å; G247-L251 PolarHBondContact O-N 2.94Å; S248-L251 PolarHBondContact O-N 3.44Å; L251-Q253 VanDerWaalsContact C-N 3.26Å; L251-Q253 PolarHBondContact O-N 3.02Å; L251-W254 HydrophobicContact CD1-CE3 4.18Å; L251-W254 WeakPolarHBondContact O-CB 3.34Å; L251-W254 PolarHBondContact O-N 3.04Å; L251-W254 VanDerWaalsContact O-N 3.09Å; L251-F255 HydrophobicContact CD1-CD2 4.24Å; L251-F255 HydrophobicContact CD1-CE2 3.77Å; L251-F255 HydrophobicContact CG-CD2 4.27Å; L251-F255 HydrophobicContact CG-CE2 3.93Å; L251-F255 WeakPolarHBondContact O-CD2 3.42Å; L251-F255 PolarHBondContact O-N 3.39Å; L251-C512 HydrophobicContact CD1-CB 4.27Å; L251-C512 PolarHBondContact N-SG 2.99Å; L251-M516 HydrophobicContact CD1-CE 4.42Å; L251-M516 HydrophobicContact CD1-CG 4.29Å; L251-M516 HydrophobicContact CD1-SD 4.22Å
252	R	88.8	Confident	87.6	Confident	100 Å²	100	41.6 Å²	41.6	38%	0.377	19%	0.19	S	C	.	.	H	α-helix	trans	-58.8	-40.3	173.6	-172	168.7	-173.7	150.2	2.7	111.5	F214 Y236 S248 K249 L250 F255 L256	F214-R252 HydrophobicContact CE1-CG 3.88Å; F214-R252 HydrophobicContact CZ-CG 4.15Å; Y236-R252 HydrophobicContact CE1-CB 4.35Å; Y236-R252 HydrophobicContact CE1-CG 4.47Å; Y236-R252 HydrophobicContact CE2-CB 3.94Å; S248-R252 WeakPolarHBondContact O-CB 3.31Å; S248-R252 PolarHBondContact O-N 2.87Å; K249-R252 PolarHBondContact O-N 3.34Å; L250-R252 VanDerWaalsContact C-N 3.33Å; L250-R252 PolarHBondContact O-N 3.3Å; R252-F255 PolarHBondContact O-N 2.92Å; R252-L256 WeakPolarHBondContact O-CG 3.12Å; R252-L256 PolarHBondContact O-N 2.75Å; R252-L256 VanDerWaalsContact O-N 3.12Å
253	Q	86.6	Confident	87.7	Confident	69 Å²	69	44 Å²	44	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-39.7	174.3	-169.8	-176.9	3.5	0	0	112.1	K249 L250 L251 F255 L256 R257	K249-Q253 PolarHBondContact O-N 2.97Å; L250-Q253 CarbonylContact O-C 3.59Å; L250-Q253 WeakPolarHBondContact O-CA 3.47Å; L250-Q253 VanDerWaalsContact O-CB 3.32Å; L250-Q253 WeakPolarHBondContact O-CB 3.48Å; L250-Q253 PolarHBondContact O-N 3.21Å; L250-Q253 VanDerWaalsContact O-N 3.13Å; L251-Q253 VanDerWaalsContact C-N 3.26Å; L251-Q253 PolarHBondContact O-N 3.02Å; Q253-F255 VanDerWaalsContact C-N 3.28Å; Q253-F255 PolarHBondContact O-N 2.85Å; Q253-L256 PolarHBondContact O-N 3.36Å; Q253-R257 WeakPolarHBondContact O-CB 3.35Å; Q253-R257 PolarHBondContact O-N 2.79Å
254	W	90.1	Very high	88	Confident	22 Å²	22	42.3 Å²	42.3	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-34.2	175.5	-69.6	2.2	0	0	0	112.6	L250 L251 R257 R268 E509 C512 L513 M516	L250-W254 HydrophobicContact CD2-CZ2 3.94Å; L250-W254 HydrophobicContact CG-CZ2 4.22Å; L250-W254 PolarHBondContact O-N 3.21Å; L251-W254 HydrophobicContact CD1-CE3 4.18Å; L251-W254 WeakPolarHBondContact O-CB 3.34Å; L251-W254 PolarHBondContact O-N 3.04Å; L251-W254 VanDerWaalsContact O-N 3.09Å; W254-R257 CarbonylContact O-C 3.56Å; W254-R257 PolarHBondContact O-N 2.96Å; W254-R268 VanDerWaalsContact CE2-NH2 3.25Å; W254-E509 HydrophobicContact CH2-CG 3.92Å; W254-E509 HydrophobicContact CZ2-CB 4.47Å; W254-E509 HydrophobicContact CZ2-CG 3.92Å; W254-C512 HydrophobicContact CE3-CB 4.02Å; W254-C512 HydrophobicContact CH2-CB 3.6Å; W254-C512 HydrophobicContact CZ2-CB 4.34Å; W254-C512 HydrophobicContact CZ3-CB 3.41Å; W254-C512 VanDerWaalsContact CZ3-CB 3.41Å; W254-L513 HydrophobicContact CH2-CD2 4.13Å; W254-L513 HydrophobicContact CH2-CG 4.07Å; W254-L513 HydrophobicContact CZ3-CD2 3.97Å; W254-L513 HydrophobicContact CZ3-CG 4.25Å; W254-M516 HydrophobicContact CE3-CE 3.87Å; W254-M516 HydrophobicContact CZ3-CE 3.53Å
255	F	89.3	Confident	88.3	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.9	-35.2	176	-83.8	-128.2	0	0	0	112.1	Y206 I213 F214 L235 Y236 L239 L251 R252 Q253 R257 F590 I594	Y206-F255 WeakPolarHBondContact CE1-O 3.28Å; Y206-F255 PolarHBondContact OH-O 2.98Å; I213-F255 HydrophobicContact CG2-CD1 3.72Å; F214-F255 HydrophobicContact CE1-CB 4.16Å; F214-F255 HydrophobicContact CE2-CB 4.34Å; F214-F255 HydrophobicContact CZ-CB 3.53Å; F214-F255 HydrophobicContact CZ-CD1 4.5Å; F214-F255 HydrophobicContact CZ-CG 4.43Å; L235-F255 HydrophobicContact CB-CE1 4.32Å; L235-F255 HydrophobicContact CD2-CE1 3.91Å; L235-F255 HydrophobicContact CG-CE1 3.89Å; Y236-F255 VanDerWaalsContact CA-CE1 3.46Å; Y236-F255 HydrophobicContact CD2-CD1 4.27Å; Y236-F255 HydrophobicContact CD2-CD2 4.36Å; Y236-F255 HydrophobicContact CD2-CE1 4.3Å; Y236-F255 HydrophobicContact CD2-CE2 4.36Å; Y236-F255 HydrophobicContact CD2-CG 4.31Å; Y236-F255 HydrophobicContact CD2-CZ 4.31Å; Y236-F255 HydrophobicContact CG-CD1 4.45Å; L239-F255 HydrophobicContact CB-CZ 3.89Å; L239-F255 HydrophobicContact CD1-CE1 4.25Å; L239-F255 HydrophobicContact CD1-CE2 4.37Å; L239-F255 HydrophobicContact CD1-CZ 3.5Å; L239-F255 VanDerWaalsContact CD1-CZ 3.5Å; L239-F255 HydrophobicContact CG-CZ 4.28Å; L251-F255 HydrophobicContact CD1-CD2 4.24Å; L251-F255 HydrophobicContact CD1-CE2 3.77Å; L251-F255 HydrophobicContact CG-CD2 4.27Å; L251-F255 HydrophobicContact CG-CE2 3.93Å; L251-F255 WeakPolarHBondContact O-CD2 3.42Å; L251-F255 PolarHBondContact O-N 3.39Å; R252-F255 PolarHBondContact O-N 2.92Å; Q253-F255 VanDerWaalsContact C-N 3.28Å; Q253-F255 PolarHBondContact O-N 2.85Å; F255-R257 VanDerWaalsContact C-N 3.35Å; F255-F590 HydrophobicContact CB-CZ 4.11Å; F255-F590 AromaticContact CD1-CE1 3.8Å; F255-F590 HydrophobicContact CD1-CE1 3.8Å; F255-F590 HydrophobicContact CD1-CZ 4.04Å; F255-F590 HydrophobicContact CE1-CE1 4.14Å; F255-F590 HydrophobicContact CG-CE1 4.21Å; F255-F590 HydrophobicContact CG-CZ 4.17Å; F255-F590 WeakPolarHBondContact O-CE2 3.36Å; F255-F590 VanDerWaalsContact O-CZ 3.26Å; F255-F590 WeakPolarHBondContact O-CZ 3.46Å; F255-I594 HydrophobicContact CD2-CD1 4.21Å; F255-I594 HydrophobicContact CE2-CD1 3.64Å; F255-I594 HydrophobicContact CZ-CD1 3.92Å
256	L	85.3	Confident	88.8	Confident	39 Å²	39	41.6 Å²	41.6	20%	0.204	20%	0.201	C	C	.	.	H	α-helix	trans	-75.9	-24.7	174	-66.9	169.1	0	0	0	112.6	E76 Y206 F214 R252 Q253	E76-L256 HydrophobicContact CG-CB 3.86Å; E76-L256 HydrophobicContact CG-CD1 4.16Å; Y206-L256 HydrophobicContact CE1-CD2 4.49Å; Y206-L256 PolarHBondContact OH-O 2.88Å; Y206-L256 VanDerWaalsContact OH-O 3.05Å; F214-L256 HydrophobicContact CD2-CD2 4.5Å; F214-L256 HydrophobicContact CE2-CD2 3.58Å; F214-L256 HydrophobicContact CE2-CG 4.03Å; F214-L256 HydrophobicContact CZ-CD2 4.09Å; F214-L256 HydrophobicContact CZ-CG 4.02Å; R252-L256 WeakPolarHBondContact O-CG 3.12Å; R252-L256 PolarHBondContact O-N 2.75Å; R252-L256 VanDerWaalsContact O-N 3.12Å; Q253-L256 PolarHBondContact O-N 3.36Å
257	R	85.3	Confident	89.2	Confident	48 Å²	48	42.1 Å²	42.1	18%	0.181	20%	0.202	C	C	.	.	S	Bend	trans	-125.1	72.3	179	-63.2	-166.6	-173.9	149.1	36.9	112.9	E76 Y193 V198 Q253 W254 F255	E76-R257 IonicContact OE1-CZ 3.63Å; E76-R257 IonicContact OE1-NE 3.69Å; E76-R257 PolarHBondContact OE1-NE 2.88Å; E76-R257 IonicContact OE1-NH2 2.75Å; E76-R257 PolarHBondContact OE1-NH2 3.22Å; E76-R257 WeakPolarHBondContact OE2-CG 2.99Å; E76-R257 IonicContact OE2-CZ 3.75Å; E76-R257 IonicContact OE2-NE 2.7Å; E76-R257 PolarHBondContact OE2-NE 3.25Å; E76-R257 IonicContact OE2-NH2 2.97Å; Y193-R257 VanDerWaalsContact CE2-CZ 3.44Å; Y193-R257 PolarHBondContact OH-NH2 3Å; V198-R257 HydrophobicContact CG1-CB 3.72Å; V198-R257 HydrophobicContact CG1-CG 4.13Å; Q253-R257 WeakPolarHBondContact O-CB 3.35Å; Q253-R257 PolarHBondContact O-N 2.79Å; W254-R257 CarbonylContact O-C 3.56Å; W254-R257 PolarHBondContact O-N 2.96Å; F255-R257 VanDerWaalsContact C-N 3.35Å
258	P	90.1	Very high	89.6	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.			trans	-63.2	142.3	167.4	-2.5	12.5	0	0	0	110.2	V198 V199 I201 F590 L593 I594	V198-P258 CarbonylContact C-O 3.6Å; V198-P258 WeakPolarHBondContact CA-O 3.38Å; V198-P258 WeakPolarHBondContact CG1-O 3.46Å; V199-P258 HydrophobicContact CB-CB 4.07Å; V199-P258 HydrophobicContact CB-CG 4.29Å; V199-P258 HydrophobicContact CG2-CB 4.05Å; V199-P258 PolarHBondContact N-O 3.44Å; I201-P258 HydrophobicContact CD1-CG 3.46Å; I201-P258 VanDerWaalsContact CD1-CG 3.46Å; I201-P258 HydrophobicContact CG1-CG 4.41Å; P258-F590 HydrophobicContact CG-CD2 4.16Å; P258-F590 HydrophobicContact CG-CE2 3.74Å; P258-L593 HydrophobicContact CB-CB 3.95Å; P258-I594 HydrophobicContact CB-CG2 4.19Å
259	T	90.2	Very high	89.8	Confident	20 Å²	20	42.4 Å²	42.4	12%	0.123	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-108.7	149.9	-173.9	-175.1	0	0	0	0	111.7	D261 V264 L265 L593	T259-D261 PolarHBondContact OG1-N 3.39Å; T259-V264 HydrophobicContact CG2-CB 4.41Å; T259-V264 HydrophobicContact CG2-CG1 4.05Å; T259-L265 HydrophobicContact CG2-CD2 3.71Å; T259-L265 HydrophobicContact CG2-CG 3.86Å; T259-L593 PolarHBondContact N-O 3.4Å
260	R	89.6	Confident	90.1	Very high	71 Å²	71	41.2 Å²	41.2	27%	0.268	20%	0.196	S	C	.	.			trans	-98.2	-5.1	170.3	-63.2	165	59.8	69.4	-9.3	111.8	E197 V199 L262 L607 V608 D609	E197-R260 HydrophobicContact CB-CB 4.44Å; E197-R260 VanDerWaalsContact O-CB 3.31Å; E197-R260 WeakPolarHBondContact O-CB 3.4Å; E197-R260 WeakPolarHBondContact O-CG 3.36Å; E197-R260 PolarHBondContact O-N 3.24Å; V199-R260 HydrophobicContact CG2-CG 3.6Å; R260-L262 PolarHBondContact O-N 2.98Å; R260-L607 VanDerWaalsContact NH1-C 3.31Å; R260-L607 PolarHBondContact NH1-O 3.48Å; R260-L607 WeakPolarHBondContact O-CD1 3.32Å; R260-V608 PolarHBondContact NH1-O 2.86Å; R260-D609 VanDerWaalsContact CZ-CB 3.49Å
261	D	90.8	Very high	90.2	Very high	47 Å²	47	39.6 Å²	39.6	25%	0.251	19%	0.187	S	C	.	.			trans	-73.5	111.8	179.9	-173.5	1.1	0	0	0	110.6	E197 T259 A263 V264 L265	E197-D261 WeakPolarHBondContact OE2-CB 3.34Å; T259-D261 PolarHBondContact OG1-N 3.39Å; D261-A263 VanDerWaalsContact C-N 3.28Å; D261-A263 PolarHBondContact O-N 3.32Å; D261-A263 WeakPolarHBondContact OD1-CB 3.49Å; D261-A263 PolarHBondContact OD1-N 3.42Å; D261-V264 HydrophobicContact CB-CB 4.22Å; D261-V264 HydrophobicContact CB-CG2 4.18Å; D261-V264 PolarHBondContact O-N 2.92Å; D261-V264 WeakPolarHBondContact OD2-CG2 3.33Å; D261-L265 VanDerWaalsContact O-CG 3.26Å; D261-L265 WeakPolarHBondContact O-CG 3.41Å; D261-L265 PolarHBondContact O-N 3.46Å
262	L	91	Very high	90.3	Very high	24 Å²	24	39.6 Å²	39.6	13%	0.126	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-34.2	177.3	-73.1	173.6	0	0	0	112.6	R260 L265 Y266 L530 R532 L607	R260-L262 PolarHBondContact O-N 2.98Å; L262-L265 PolarHBondContact O-N 3.13Å; L262-Y266 HydrophobicContact CB-CD2 4.13Å; L262-Y266 HydrophobicContact CB-CE2 4.2Å; L262-Y266 HydrophobicContact CD2-CE2 4.16Å; L262-Y266 WeakPolarHBondContact O-CB 3.39Å; L262-Y266 WeakPolarHBondContact O-CD2 3.43Å; L262-Y266 PolarHBondContact O-N 3.05Å; L262-L530 HydrophobicContact CD2-CB 3.83Å; L262-R532 HydrophobicContact CD1-CG 3.46Å; L262-R532 VanDerWaalsContact CD1-CG 3.46Å; L262-L607 HydrophobicContact CD1-CD1 3.97Å; L262-L607 HydrophobicContact CD2-CD1 3.97Å; L262-L607 HydrophobicContact CD2-CD2 3.75Å; L262-L607 HydrophobicContact CD2-CG 4.09Å; L262-L607 HydrophobicContact CG-CD1 3.72Å; L262-L607 HydrophobicContact CG-CD2 4.27Å; L262-L607 HydrophobicContact CG-CG 4.39Å
263	A	91.1	Very high	90.3	Very high	69 Å²	69	43.7 Å²	43.7	57%	0.57	20%	0.203	S	C	*	.	H	α-helix	trans	-64.3	-45.5	-178.7	0	0	0	0	0	110.4	D261 R267	D261-A263 VanDerWaalsContact C-N 3.28Å; D261-A263 PolarHBondContact O-N 3.32Å; D261-A263 WeakPolarHBondContact OD1-CB 3.49Å; D261-A263 PolarHBondContact OD1-N 3.42Å; A263-R267 WeakPolarHBondContact O-CB 3.31Å; A263-R267 PolarHBondContact O-N 3.49Å
264	V	91.4	Very high	90.5	Very high	48 Å²	48	41.9 Å²	41.9	29%	0.291	19%	0.194	S	C	.	.	H	α-helix	trans	-63.3	-46	174.6	173.7	0	0	0	0	111.1	T259 D261 Y266 R267 R268	T259-V264 HydrophobicContact CG2-CB 4.41Å; T259-V264 HydrophobicContact CG2-CG1 4.05Å; D261-V264 HydrophobicContact CB-CB 4.22Å; D261-V264 HydrophobicContact CB-CG2 4.18Å; D261-V264 PolarHBondContact O-N 2.92Å; D261-V264 WeakPolarHBondContact OD2-CG2 3.33Å; V264-Y266 PolarHBondContact O-N 3.4Å; V264-R267 PolarHBondContact O-N 3.22Å; V264-R268 WeakPolarHBondContact O-CG 3.46Å; V264-R268 PolarHBondContact O-N 2.89Å
265	L	92.5	Very high	90.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-44.3	-179.5	-68.2	170.2	0	0	0	112.3	T259 D261 L262 R268 Q269 L530 L593 G595 L607	T259-L265 HydrophobicContact CG2-CD2 3.71Å; T259-L265 HydrophobicContact CG2-CG 3.86Å; D261-L265 VanDerWaalsContact O-CG 3.26Å; D261-L265 WeakPolarHBondContact O-CG 3.41Å; D261-L265 PolarHBondContact O-N 3.46Å; L262-L265 PolarHBondContact O-N 3.13Å; L265-R268 PolarHBondContact O-N 3Å; L265-Q269 WeakPolarHBondContact O-CG 3.34Å; L265-Q269 PolarHBondContact O-N 3.19Å; L265-L530 HydrophobicContact CB-CD1 3.55Å; L265-L530 HydrophobicContact CD1-CD1 3.78Å; L265-L530 HydrophobicContact CD2-CD1 4.44Å; L265-L530 HydrophobicContact CG-CD1 4.11Å; L265-L593 WeakPolarHBondContact CD2-O 3.31Å; L265-G595 VanDerWaalsContact CD2-N 3.35Å; L265-L607 HydrophobicContact CD1-CD2 4.03Å
266	Y	92.1	Very high	90.4	Very high	119 Å²	119	42.6 Å²	42.6	47%	0.467	20%	0.201	S	C	.	.	H	α-helix	trans	-65.1	-40.1	176.8	-81.5	-58.4	0	0	0	112.3	L262 V264 R268 Q269 E270 L530	L262-Y266 HydrophobicContact CB-CD2 4.13Å; L262-Y266 HydrophobicContact CB-CE2 4.2Å; L262-Y266 HydrophobicContact CD2-CE2 4.16Å; L262-Y266 WeakPolarHBondContact O-CB 3.39Å; L262-Y266 WeakPolarHBondContact O-CD2 3.43Å; L262-Y266 PolarHBondContact O-N 3.05Å; V264-Y266 PolarHBondContact O-N 3.4Å; Y266-R268 VanDerWaalsContact C-N 3.3Å; Y266-R268 PolarHBondContact O-N 3.27Å; Y266-Q269 PolarHBondContact O-N 3.28Å; Y266-E270 WeakPolarHBondContact O-CB 3.5Å; Y266-E270 PolarHBondContact O-N 3.17Å; Y266-L530 PolarHBondContact OH-O 3.49Å
267	R	91.8	Very high	90.4	Very high	43 Å²	43	43.1 Å²	43.1	16%	0.162	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-44.1	173.4	174	179.4	165.5	140.6	-0.4	111.4	A263 V264 V271 E343 E509	A263-R267 WeakPolarHBondContact O-CB 3.31Å; A263-R267 PolarHBondContact O-N 3.49Å; V264-R267 PolarHBondContact O-N 3.22Å; R267-V271 WeakPolarHBondContact O-CG2 3.42Å; R267-V271 PolarHBondContact O-N 3.48Å; R267-E343 IonicContact CZ-OE1 3.49Å; R267-E343 IonicContact CZ-OE2 3.69Å; R267-E343 VanDerWaalsContact NH1-CD 3.31Å; R267-E343 IonicContact NH1-OE1 3.51Å; R267-E343 PolarHBondContact NH1-OE1 2.88Å; R267-E343 IonicContact NH1-OE2 2.72Å; R267-E343 PolarHBondContact NH1-OE2 2.84Å; R267-E343 IonicContact NH2-OE1 2.87Å; R267-E343 IonicContact NH2-OE2 2.76Å; R267-E343 PolarHBondContact NH2-OE2 2.93Å; R267-E509 IonicContact CZ-OE1 3.89Å; R267-E509 IonicContact CZ-OE2 2.96Å; R267-E509 IonicContact NE-OE1 2.76Å; R267-E509 PolarHBondContact NE-OE1 3.16Å; R267-E509 IonicContact NH2-OE1 3Å; R267-E509 IonicContact NH2-OE2 3.15Å; R267-E509 PolarHBondContact NH2-OE2 3.07Å; R267-E509 VanDerWaalsContact NH2-OE2 3.15Å
268	R	93.6	Very high	90.2	Very high	20 Å²	20	46.2 Å²	46.2	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-47.6	177.2	-66.1	-179.3	179.8	174.9	0.6	111.8	W254 V264 L265 Y266 E270 V271 I272 L513 I594	W254-R268 VanDerWaalsContact CE2-NH2 3.25Å; V264-R268 WeakPolarHBondContact O-CG 3.46Å; V264-R268 PolarHBondContact O-N 2.89Å; L265-R268 PolarHBondContact O-N 3Å; Y266-R268 VanDerWaalsContact C-N 3.3Å; Y266-R268 PolarHBondContact O-N 3.27Å; R268-E270 VanDerWaalsContact C-N 3.3Å; R268-E270 PolarHBondContact O-N 2.91Å; R268-V271 PolarHBondContact O-N 2.95Å; R268-I272 WeakPolarHBondContact O-CG1 3.49Å; R268-I272 PolarHBondContact O-N 2.66Å; R268-L513 HydrophobicContact CB-CD2 3.65Å; R268-L513 HydrophobicContact CG-CD2 3.84Å; R268-I594 WeakPolarHBondContact CD-O 3.39Å; R268-I594 PolarHBondContact NH1-O 3.31Å
269	Q	92.1	Very high	89.8	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.065	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-36.1	179.5	-74.5	-177.6	-23	0	0	112.8	L265 Y266 I272 R273 P528	L265-Q269 WeakPolarHBondContact O-CG 3.34Å; L265-Q269 PolarHBondContact O-N 3.19Å; Y266-Q269 PolarHBondContact O-N 3.28Å; Q269-I272 PolarHBondContact O-N 3.28Å; Q269-R273 WeakPolarHBondContact O-CB 3.35Å; Q269-R273 PolarHBondContact O-N 3.09Å; Q269-P528 PolarHBondContact NE2-O 3.47Å
270	E	91.3	Very high	89.5	Confident	79 Å²	79	57.7 Å²	57.7	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-46.2	178.5	-165.7	-175.5	-170.7	0	0	111.6	Y266 R268 R273 F274 I338	Y266-E270 WeakPolarHBondContact O-CB 3.5Å; Y266-E270 PolarHBondContact O-N 3.17Å; R268-E270 VanDerWaalsContact C-N 3.3Å; R268-E270 PolarHBondContact O-N 2.91Å; E270-R273 PolarHBondContact O-N 3.29Å; E270-F274 PolarHBondContact O-N 2.75Å; E270-I338 HydrophobicContact CG-CG1 3.98Å
271	V	91.1	Very high	89.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-45.3	177.7	179	0	0	0	0	110.9	R267 R268 R273 F274 F275 I338 L340 F341 L513	R267-V271 WeakPolarHBondContact O-CG2 3.42Å; R267-V271 PolarHBondContact O-N 3.48Å; R268-V271 PolarHBondContact O-N 2.95Å; V271-R273 PolarHBondContact O-N 3.46Å; V271-F274 WeakPolarHBondContact O-CB 3.11Å; V271-F274 PolarHBondContact O-N 3.44Å; V271-F275 HydrophobicContact CG1-CD2 3.72Å; V271-F275 HydrophobicContact CG1-CE2 3.61Å; V271-F275 VanDerWaalsContact O-CD2 3.3Å; V271-F275 WeakPolarHBondContact O-CD2 3.23Å; V271-F275 PolarHBondContact O-N 2.93Å; V271-F275 VanDerWaalsContact O-N 3.12Å; V271-I338 HydrophobicContact CG2-CG2 3.66Å; V271-L340 HydrophobicContact CG2-CB 3.99Å; V271-L340 HydrophobicContact CG2-CD2 4.24Å; V271-F341 HydrophobicContact CG1-CE1 4.12Å; V271-F341 HydrophobicContact CG1-CZ 4.25Å; V271-L513 HydrophobicContact CB-CB 4.4Å; V271-L513 HydrophobicContact CB-CD1 3.85Å; V271-L513 HydrophobicContact CG1-CB 3.78Å; V271-L513 HydrophobicContact CG1-CD1 3.78Å; V271-L513 HydrophobicContact CG1-CG 4.35Å; V271-L513 HydrophobicContact CG2-CD1 4.01Å
272	I	91.8	Very high	88.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-48.8	178.1	-68.3	165.8	0	0	0	109.9	R268 Q269 F274 F275 T276 L513 M516 G595 D597	R268-I272 WeakPolarHBondContact O-CG1 3.49Å; R268-I272 PolarHBondContact O-N 2.66Å; Q269-I272 PolarHBondContact O-N 3.28Å; I272-F274 PolarHBondContact O-N 3.36Å; I272-F275 PolarHBondContact O-N 3.49Å; I272-F275 VanDerWaalsContact O-N 3.12Å; I272-T276 WeakPolarHBondContact O-CB 3.45Å; I272-T276 PolarHBondContact O-N 2.93Å; I272-T276 PolarHBondContact O-OG1 3.47Å; I272-L513 HydrophobicContact CD1-CD2 4.04Å; I272-L513 HydrophobicContact CG1-CB 4.45Å; I272-L513 HydrophobicContact CG1-CD2 4.01Å; I272-M516 HydrophobicContact CD1-CB 4.23Å; I272-M516 HydrophobicContact CD1-CE 4.02Å; I272-G595 WeakPolarHBondContact CD1-O 3.49Å; I272-D597 WeakPolarHBondContact CG2-OD2 3.1Å
273	R	90.5	Very high	88.6	Confident	186 Å²	186	60.6 Å²	60.6	70%	0.702	30%	0.303	S	S	*	.	H	α-helix	trans	-58.3	-37.1	178.4	-176.8	177.9	179.4	174.3	0.6	112.6	Q269 E270 V271 S277	Q269-R273 WeakPolarHBondContact O-CB 3.35Å; Q269-R273 PolarHBondContact O-N 3.09Å; E270-R273 PolarHBondContact O-N 3.29Å; V271-R273 PolarHBondContact O-N 3.46Å; R273-S277 PolarHBondContact O-OG 2.83Å
274	F	90.4	Very high	88.3	Confident	30 Å²	30	57.5 Å²	57.5	13%	0.132	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-48.2	175.8	179.7	-96.1	0	0	0	111.8	E270 V271 I272 S277 N280 L334 P335 I338 F341	E270-F274 PolarHBondContact O-N 2.75Å; V271-F274 WeakPolarHBondContact O-CB 3.11Å; V271-F274 PolarHBondContact O-N 3.44Å; I272-F274 PolarHBondContact O-N 3.36Å; F274-S277 WeakPolarHBondContact O-CB 3.43Å; F274-S277 PolarHBondContact O-N 3.3Å; F274-N280 HydrophobicContact CE1-CB 4.3Å; F274-N280 VanDerWaalsContact CE2-ND2 3.26Å; F274-N280 WeakPolarHBondContact CE2-ND2 3.48Å; F274-N280 HydrophobicContact CZ-CB 4.5Å; F274-N280 VanDerWaalsContact CZ-ND2 3.25Å; F274-N280 WeakPolarHBondContact CZ-ND2 3.07Å; F274-N280 PolarHBondContact O-ND2 3.02Å; F274-L334 HydrophobicContact CE1-CD1 4.33Å; F274-L334 HydrophobicContact CE1-CD2 4.14Å; F274-L334 HydrophobicContact CZ-CD2 3.87Å; F274-P335 HydrophobicContact CD2-CG 4.15Å; F274-P335 HydrophobicContact CE2-CG 3.5Å; F274-P335 HydrophobicContact CZ-CG 4.12Å; F274-I338 HydrophobicContact CB-CD1 3.72Å; F274-I338 HydrophobicContact CD1-CD1 4.49Å; F274-I338 HydrophobicContact CD2-CD1 3.81Å; F274-I338 HydrophobicContact CG-CD1 3.74Å; F274-F341 AromaticContact CD1-CE2 3.66Å; F274-F341 HydrophobicContact CD1-CE2 3.66Å; F274-F341 AromaticContact CD1-CZ 3.75Å; F274-F341 HydrophobicContact CD1-CZ 3.75Å; F274-F341 AromaticContact CE1-CE2 3.86Å; F274-F341 HydrophobicContact CE1-CE2 3.86Å; F274-F341 HydrophobicContact CE1-CZ 4.18Å; F274-F341 HydrophobicContact CG-CE2 4.05Å; F274-F341 HydrophobicContact CG-CZ 4.37Å; F274-F341 HydrophobicContact CZ-CE2 4.42Å
275	F	88.6	Confident	88.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-76.6	-28.1	-178.7	-74.4	-59	0	0	0	114	V271 I272 S277 L284 L287 M331 F341 L510 M514 S517 Q521	V271-F275 HydrophobicContact CG1-CD2 3.72Å; V271-F275 HydrophobicContact CG1-CE2 3.61Å; V271-F275 VanDerWaalsContact O-CD2 3.3Å; V271-F275 WeakPolarHBondContact O-CD2 3.23Å; V271-F275 PolarHBondContact O-N 2.93Å; V271-F275 VanDerWaalsContact O-N 3.12Å; I272-F275 PolarHBondContact O-N 3.49Å; I272-F275 VanDerWaalsContact O-N 3.12Å; F275-S277 PolarHBondContact O-N 2.68Å; F275-L284 HydrophobicContact CB-CD1 4Å; F275-L284 HydrophobicContact CD1-CB 4.1Å; F275-L284 HydrophobicContact CD1-CD1 4.25Å; F275-L284 HydrophobicContact CG-CD1 4.33Å; F275-L287 HydrophobicContact CE1-CD1 3.85Å; F275-L287 HydrophobicContact CZ-CD1 3.89Å; F275-M331 HydrophobicContact CZ-CE 4.48Å; F275-F341 AromaticContact CE2-CE1 3.87Å; F275-F341 HydrophobicContact CE2-CE1 3.87Å; F275-F341 AromaticContact CE2-CZ 3.66Å; F275-F341 HydrophobicContact CE2-CZ 3.66Å; F275-F341 AromaticContact CZ-CE1 3.98Å; F275-F341 HydrophobicContact CZ-CE1 3.98Å; F275-F341 AromaticContact CZ-CZ 3.72Å; F275-F341 HydrophobicContact CZ-CZ 3.72Å; F275-L510 HydrophobicContact CE2-CD1 3.99Å; F275-L510 HydrophobicContact CZ-CD1 4.22Å; F275-M514 HydrophobicContact CD2-CG 3.86Å; F275-M514 HydrophobicContact CE1-CG 4.46Å; F275-M514 HydrophobicContact CE1-SD 4.22Å; F275-M514 HydrophobicContact CE2-CG 3.7Å; F275-M514 HydrophobicContact CE2-SD 4.26Å; F275-M514 HydrophobicContact CG-CG 4.31Å; F275-M514 HydrophobicContact CZ-CG 4.04Å; F275-M514 HydrophobicContact CZ-SD 3.98Å; F275-S517 WeakPolarHBondContact CB-OG 2.82Å; F275-Q521 PolarHBondContact O-NE2 2.92Å
276	T	87.7	Confident	87.9	Confident	38 Å²	38	62.8 Å²	62.8	23%	0.233	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-19.8	174	-59.2	0	0	0	0	111.8	I272 Q521	I272-T276 WeakPolarHBondContact O-CB 3.45Å; I272-T276 PolarHBondContact O-N 2.93Å; I272-T276 PolarHBondContact O-OG1 3.47Å; T276-Q521 VanDerWaalsContact CA-NE2 3.32Å; T276-Q521 HydrophobicContact CG2-CG 3.96Å; T276-Q521 PolarHBondContact O-NE2 3.32Å
277	S	86.4	Confident	87.7	Confident	50 Å²	50	57.1 Å²	57.1	35%	0.35	28%	0.284	S	S	.	.	S	Bend	trans	-69.8	126.8	176.3	-64	0	0	0	0	112	R273 F274 F275 R279 N280	R273-S277 PolarHBondContact O-OG 2.83Å; F274-S277 WeakPolarHBondContact O-CB 3.43Å; F274-S277 PolarHBondContact O-N 3.3Å; F275-S277 PolarHBondContact O-N 2.68Å; S277-R279 PolarHBondContact O-N 3.5Å; S277-R279 VanDerWaalsContact O-N 3.07Å; S277-N280 PolarHBondContact O-N 3.37Å
278	P	79.8	Confident	87.5	Confident	113 Å²	113	56 Å²	56	73%	0.734	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.1	-172.4	23.5	-34.1	0	0	0	113.9	N280 S281	P278-N280 PolarHBondContact O-N 3.46Å; P278-S281 WeakPolarHBondContact O-CB 3.49Å; P278-S281 PolarHBondContact O-N 3.32Å
279	R	81.3	Confident	87.2	Confident	229 Å²	229	57.7 Å²	57.7	86%	0.864	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-63.5	-23	176.1	-65.1	-177.3	179.2	177.6	-0.5	113.5	S277	S277-R279 PolarHBondContact O-N 3.5Å; S277-R279 VanDerWaalsContact O-N 3.07Å
280	N	83.9	Confident	86.8	Confident	32 Å²	32	58.1 Å²	58.1	17%	0.171	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-103.3	8.2	-174.9	-61.5	-25.3	0	0	0	112.3	F274 S277 P278 D282 V283 L284	F274-N280 HydrophobicContact CE1-CB 4.3Å; F274-N280 VanDerWaalsContact CE2-ND2 3.26Å; F274-N280 WeakPolarHBondContact CE2-ND2 3.48Å; F274-N280 HydrophobicContact CZ-CB 4.5Å; F274-N280 VanDerWaalsContact CZ-ND2 3.25Å; F274-N280 WeakPolarHBondContact CZ-ND2 3.07Å; F274-N280 PolarHBondContact O-ND2 3.02Å; S277-N280 PolarHBondContact O-N 3.37Å; P278-N280 PolarHBondContact O-N 3.46Å; N280-D282 VanDerWaalsContact C-N 3.31Å; N280-D282 PolarHBondContact O-N 3.32Å; N280-V283 PolarHBondContact O-N 2.8Å; N280-L284 PolarHBondContact O-N 3.26Å
281	S	83	Confident	86.5	Confident	41 Å²	41	54.4 Å²	54.4	29%	0.287	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-38.5	-178.6	-171.8	0	0	0	0	112.2	P278 V283 L284 N285	P278-S281 WeakPolarHBondContact O-CB 3.49Å; P278-S281 PolarHBondContact O-N 3.32Å; S281-V283 VanDerWaalsContact C-N 3.35Å; S281-V283 PolarHBondContact O-N 3.1Å; S281-L284 WeakPolarHBondContact O-CB 3.4Å; S281-L284 PolarHBondContact O-N 3.36Å; S281-N285 PolarHBondContact O-N 2.6Å; S281-N285 PolarHBondContact O-ND2 3Å
282	D	84.9	Confident	86.3	Confident	123 Å²	123	62.4 Å²	62.4	66%	0.658	32%	0.316	S	S	*	.	H	α-helix	trans	-62.8	-41.9	177.1	-63.3	-32.2	0	0	0	111.9	N280 N285 T286	N280-D282 VanDerWaalsContact C-N 3.31Å; N280-D282 PolarHBondContact O-N 3.32Å; D282-N285 PolarHBondContact O-N 2.98Å; D282-T286 WeakPolarHBondContact O-CG2 3.47Å; D282-T286 PolarHBondContact O-N 2.9Å; D282-T286 PolarHBondContact O-OG1 2.86Å
283	V	85.2	Confident	85.8	Confident	39 Å²	39	66.2 Å²	66.2	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-41.4	176	178.5	0	0	0	0	110.8	N280 S281 N285 T286 L287 L334	N280-V283 PolarHBondContact O-N 2.8Å; S281-V283 VanDerWaalsContact C-N 3.35Å; S281-V283 PolarHBondContact O-N 3.1Å; V283-N285 VanDerWaalsContact C-N 3.32Å; V283-N285 PolarHBondContact O-N 3.3Å; V283-T286 PolarHBondContact O-N 3.44Å; V283-T286 PolarHBondContact O-OG1 2.92Å; V283-L287 HydrophobicContact CG1-CD1 3.79Å; V283-L287 HydrophobicContact CG1-CG 4.34Å; V283-L287 WeakPolarHBondContact O-CB 3.32Å; V283-L287 WeakPolarHBondContact O-CD1 3.32Å; V283-L287 WeakPolarHBondContact O-CG 3.29Å; V283-L287 PolarHBondContact O-N 2.7Å; V283-L334 HydrophobicContact CG1-CD1 4.02Å; V283-L334 HydrophobicContact CG1-CD2 3.86Å; V283-L334 HydrophobicContact CG1-CG 4.48Å; V283-L334 HydrophobicContact CG2-CD2 4.37Å
284	L	85.4	Confident	85.3	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-43.1	176	177.5	148.7	0	0	0	111.1	F275 N280 S281 L287 Q288	F275-L284 HydrophobicContact CB-CD1 4Å; F275-L284 HydrophobicContact CD1-CB 4.1Å; F275-L284 HydrophobicContact CD1-CD1 4.25Å; F275-L284 HydrophobicContact CG-CD1 4.33Å; N280-L284 PolarHBondContact O-N 3.26Å; S281-L284 WeakPolarHBondContact O-CB 3.4Å; S281-L284 PolarHBondContact O-N 3.36Å; L284-L287 PolarHBondContact O-N 2.97Å; L284-Q288 HydrophobicContact CD2-CG 4.17Å; L284-Q288 HydrophobicContact CG-CG 4.48Å; L284-Q288 WeakPolarHBondContact O-CB 3.3Å; L284-Q288 VanDerWaalsContact O-CG 3.31Å; L284-Q288 WeakPolarHBondContact O-CG 3.43Å; L284-Q288 PolarHBondContact O-N 3.49Å
285	N	86.6	Confident	84.8	Confident	83 Å²	83	61.2 Å²	61.2	44%	0.444	32%	0.317	S	S	.	.	H	α-helix	trans	-65.9	-41.5	179.9	-69.7	-32.4	0	0	0	112.4	S281 D282 V283 Q288 A289	S281-N285 PolarHBondContact O-N 2.6Å; S281-N285 PolarHBondContact O-ND2 3Å; D282-N285 PolarHBondContact O-N 2.98Å; V283-N285 VanDerWaalsContact C-N 3.32Å; V283-N285 PolarHBondContact O-N 3.3Å; N285-Q288 PolarHBondContact O-N 2.88Å; N285-A289 WeakPolarHBondContact O-CB 3.35Å; N285-A289 PolarHBondContact O-N 3.12Å
286	T	88.3	Confident	84.1	Confident	75 Å²	75	64 Å²	64	46%	0.46	33%	0.332	S	S	.	.	H	α-helix	trans	-66.2	-39.2	177.3	56.2	0	0	0	0	112.2	D282 V283 A289 S290	D282-T286 WeakPolarHBondContact O-CG2 3.47Å; D282-T286 PolarHBondContact O-N 2.9Å; D282-T286 PolarHBondContact O-OG1 2.86Å; V283-T286 PolarHBondContact O-N 3.44Å; V283-T286 PolarHBondContact O-OG1 2.92Å; T286-A289 PolarHBondContact O-N 3.48Å; T286-S290 PolarHBondContact O-N 2.85Å; T286-S290 VanDerWaalsContact O-N 3.11Å; T286-S290 PolarHBondContact O-OG 3.33Å
287	L	87.4	Confident	83.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-44.8	175.1	-68.1	169.3	0	0	0	111.8	F275 V283 L284 A289 S290 L291 I327 M331 M514	F275-L287 HydrophobicContact CE1-CD1 3.85Å; F275-L287 HydrophobicContact CZ-CD1 3.89Å; V283-L287 HydrophobicContact CG1-CD1 3.79Å; V283-L287 HydrophobicContact CG1-CG 4.34Å; V283-L287 WeakPolarHBondContact O-CB 3.32Å; V283-L287 WeakPolarHBondContact O-CD1 3.32Å; V283-L287 WeakPolarHBondContact O-CG 3.29Å; V283-L287 PolarHBondContact O-N 2.7Å; L284-L287 PolarHBondContact O-N 2.97Å; L287-A289 VanDerWaalsContact C-N 3.3Å; L287-A289 PolarHBondContact O-N 2.88Å; L287-S290 PolarHBondContact O-N 2.77Å; L287-S290 VanDerWaalsContact O-N 3.13Å; L287-L291 WeakPolarHBondContact O-CG 3.25Å; L287-L291 PolarHBondContact O-N 3.06Å; L287-I327 HydrophobicContact CD2-CB 4.38Å; L287-I327 HydrophobicContact CD2-CG1 4.2Å; L287-I327 HydrophobicContact CD2-CG2 4.03Å; L287-M331 HydrophobicContact CD1-CE 3.25Å; L287-M331 HydrophobicContact CD2-CE 3.5Å; L287-M331 VanDerWaalsContact CD2-CE 3.5Å; L287-M331 HydrophobicContact CG-CE 3.99Å; L287-M514 HydrophobicContact CB-CE 4.03Å; L287-M514 HydrophobicContact CB-SD 3.76Å; L287-M514 HydrophobicContact CD1-SD 3.91Å
288	Q	87.6	Confident	83	Confident	21 Å²	21	60.2 Å²	60.2	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-37.2	176.2	-78	-172.3	-3	0	0	112.6	K243 L284 N285 S290 L291 R292 M514	K243-Q288 HydrophobicContact CG-CB 4.12Å; K243-Q288 HydrophobicContact CG-CG 4.31Å; L284-Q288 HydrophobicContact CD2-CG 4.17Å; L284-Q288 HydrophobicContact CG-CG 4.48Å; L284-Q288 WeakPolarHBondContact O-CB 3.3Å; L284-Q288 VanDerWaalsContact O-CG 3.31Å; L284-Q288 WeakPolarHBondContact O-CG 3.43Å; L284-Q288 PolarHBondContact O-N 3.49Å; N285-Q288 PolarHBondContact O-N 2.88Å; Q288-S290 VanDerWaalsContact C-N 3.34Å; Q288-L291 PolarHBondContact O-N 3.36Å; Q288-R292 PolarHBondContact O-N 2.6Å; Q288-R292 VanDerWaalsContact O-N 3.15Å; Q288-M514 HydrophobicContact CG-CE 4.37Å
289	A	87.3	Confident	82.8	Confident	55 Å²	55	55.3 Å²	55.3	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-63.8	-40.9	173.8	0	0	0	0	0	111.6	N285 T286 L287 R292	N285-A289 WeakPolarHBondContact O-CB 3.35Å; N285-A289 PolarHBondContact O-N 3.12Å; T286-A289 PolarHBondContact O-N 3.48Å; L287-A289 VanDerWaalsContact C-N 3.3Å; L287-A289 PolarHBondContact O-N 2.88Å; A289-R292 PolarHBondContact O-N 3.48Å
290	S	85.1	Confident	82.7	Confident	23 Å²	23	44.4 Å²	44.4	16%	0.161	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-39.7	177.3	-55.3	0	0	0	0	112.2	T286 L287 Q288 R292 N293 S323	T286-S290 PolarHBondContact O-N 2.85Å; T286-S290 VanDerWaalsContact O-N 3.11Å; T286-S290 PolarHBondContact O-OG 3.33Å; L287-S290 PolarHBondContact O-N 2.77Å; L287-S290 VanDerWaalsContact O-N 3.13Å; Q288-S290 VanDerWaalsContact C-N 3.34Å; S290-R292 VanDerWaalsContact C-N 3.31Å; S290-R292 PolarHBondContact O-N 3.38Å; S290-N293 PolarHBondContact O-N 2.94Å; S290-S323 WeakPolarHBondContact O-CB 3.12Å
291	L	85.2	Confident	82.5	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-30.1	177.1	-74	-178.9	0	0	0	113.4	K243 L287 Q288 N293 I294 I327 L507 D511 M514	K243-L291 HydrophobicContact CB-CB 4.3Å; L287-L291 WeakPolarHBondContact O-CG 3.25Å; L287-L291 PolarHBondContact O-N 3.06Å; Q288-L291 PolarHBondContact O-N 3.36Å; L291-N293 PolarHBondContact O-N 3.19Å; L291-I294 HydrophobicContact CD2-CD1 3.42Å; L291-I294 VanDerWaalsContact CD2-CD1 3.42Å; L291-I294 VanDerWaalsContact O-CB 3.31Å; L291-I294 WeakPolarHBondContact O-CB 3.48Å; L291-I294 PolarHBondContact O-N 2.94Å; L291-I327 HydrophobicContact CD2-CD1 3.56Å; L291-I327 HydrophobicContact CG-CD1 4.03Å; L291-L507 HydrophobicContact CD2-CB 4.3Å; L291-L507 HydrophobicContact CD2-CD2 4.31Å; L291-D511 HydrophobicContact CD1-CB 3.64Å; L291-M514 HydrophobicContact CD1-CE 3.04Å; L291-M514 HydrophobicContact CG-CE 4.11Å
292	R	85.1	Confident	82	Confident	167 Å²	167	42.3 Å²	42.3	63%	0.63	22%	0.219	S	C	*	.	H	α-helix	trans	-59.3	-29.1	176.8	-170.7	-177.2	-63.2	-169.9	2.2	112.2	K243 Q288 A289 S290 I294	K243-R292 HydrophobicContact CB-CB 4.42Å; Q288-R292 PolarHBondContact O-N 2.6Å; Q288-R292 VanDerWaalsContact O-N 3.15Å; A289-R292 PolarHBondContact O-N 3.48Å; S290-R292 VanDerWaalsContact C-N 3.31Å; S290-R292 PolarHBondContact O-N 3.38Å; R292-I294 VanDerWaalsContact C-N 3.25Å; R292-I294 PolarHBondContact O-N 3.42Å
293	N	82	Confident	81.6	Confident	80 Å²	80	40 Å²	40	43%	0.428	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.5	179.4	-64.2	-26.6	0	0	0	113.2	S290 L291 R295 T320 S323	S290-N293 PolarHBondContact O-N 2.94Å; L291-N293 PolarHBondContact O-N 3.19Å; N293-R295 PolarHBondContact O-N 2.83Å; N293-T320 PolarHBondContact O-OG1 3.47Å; N293-S323 VanDerWaalsContact CB-OG 3.26Å; N293-S323 WeakPolarHBondContact CB-OG 3.31Å
294	I	80.6	Confident	81.2	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.046	19%	0.191	C	C	.	.			trans	-80.6	110	177.9	-59	-179.2	0	0	0	109.3	L291 R292 T320 I327 L504 L507	L291-I294 HydrophobicContact CD2-CD1 3.42Å; L291-I294 VanDerWaalsContact CD2-CD1 3.42Å; L291-I294 VanDerWaalsContact O-CB 3.31Å; L291-I294 WeakPolarHBondContact O-CB 3.48Å; L291-I294 PolarHBondContact O-N 2.94Å; R292-I294 VanDerWaalsContact C-N 3.25Å; R292-I294 PolarHBondContact O-N 3.42Å; I294-T320 HydrophobicContact CB-CG2 4.09Å; I294-T320 HydrophobicContact CG1-CG2 4.14Å; I294-T320 HydrophobicContact CG2-CG2 3.73Å; I294-I327 HydrophobicContact CD1-CD1 4.16Å; I294-L504 HydrophobicContact CG2-CD2 4.09Å; I294-L507 HydrophobicContact CD1-CB 4.13Å; I294-L507 HydrophobicContact CD1-CD1 3.6Å; I294-L507 HydrophobicContact CD1-CG 4.33Å
295	R	78.9	Confident	80.5	Confident	102 Å²	102	39.1 Å²	39.1	39%	0.385	20%	0.196	S	C	.	.			trans	-106.4	-179	180	-71.6	-172.5	179.9	-165.8	-4.3	111.6	F246 N293 I297 C316 T320	F246-R295 WeakPolarHBondContact CE2-O 3.26Å; N293-R295 PolarHBondContact O-N 2.83Å; R295-I297 PolarHBondContact O-N 2.82Å; R295-C316 WeakPolarHBondContact CB-SG 3.47Å; R295-T320 PolarHBondContact N-OG1 3.24Å
296	N	74.9	Confident	79.7	Confident	59 Å²	59	36.1 Å²	36.1	32%	0.316	18%	0.18	S	C	.	.			trans	-67.6	88.1	-173.7	-171.2	-7.9	0	0	0	113.6	F246 P298 G299 V300	F246-N296 HydrophobicContact CZ-CB 4.26Å; N296-P298 VanDerWaalsContact OD1-CD 3.3Å; N296-P298 WeakPolarHBondContact OD1-CD 3.48Å; N296-G299 PolarHBondContact OD1-N 2.83Å; N296-V300 WeakPolarHBondContact O-CG2 3.13Å; N296-V300 PolarHBondContact O-N 3.12Å
297	I	76.1	Confident	78.8	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-68.6	-45.8	175.3	-57.8	-173.7	0	0	0	112.9	R295 G299 V300 L301 L317 T320 L504	R295-I297 PolarHBondContact O-N 2.82Å; I297-G299 VanDerWaalsContact C-N 3.29Å; I297-G299 PolarHBondContact O-N 2.85Å; I297-V300 CarbonylContact O-C 3.57Å; I297-V300 WeakPolarHBondContact O-CA 3.48Å; I297-V300 WeakPolarHBondContact O-CB 3.02Å; I297-V300 PolarHBondContact O-N 3.47Å; I297-L301 HydrophobicContact CG2-CD1 3.65Å; I297-L301 HydrophobicContact CG2-CD2 4.46Å; I297-L301 HydrophobicContact CG2-CG 3.71Å; I297-L301 WeakPolarHBondContact O-CG 3.4Å; I297-L301 PolarHBondContact O-N 3.02Å; I297-L317 HydrophobicContact CD1-CD1 4.46Å; I297-L317 HydrophobicContact CG2-CD1 4.21Å; I297-T320 HydrophobicContact CD1-CG2 3.5Å; I297-T320 VanDerWaalsContact CD1-CG2 3.5Å; I297-T320 HydrophobicContact CG1-CG2 3.81Å; I297-L504 HydrophobicContact CB-CD1 3.65Å; I297-L504 HydrophobicContact CB-CD2 4.39Å; I297-L504 HydrophobicContact CD1-CD1 3.92Å; I297-L504 HydrophobicContact CD1-CD2 3.59Å; I297-L504 HydrophobicContact CD1-CG 3.92Å; I297-L504 HydrophobicContact CG1-CD1 4.15Å; I297-L504 HydrophobicContact CG1-CD2 4Å; I297-L504 HydrophobicContact CG2-CD1 4.07Å
298	P	74.1	Confident	78	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.019	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-40.2	-178.3	-26.6	36.7	0	0	0	113.1	D52 F246 N296 V300 L301 R302 Y501 L504	D52-P298 HydrophobicContact CB-CB 4.17Å; D52-P298 VanDerWaalsContact OD1-CB 3.31Å; D52-P298 WeakPolarHBondContact OD1-CB 3.25Å; D52-P298 WeakPolarHBondContact OD1-CG 3.44Å; F246-P298 HydrophobicContact CE1-CG 3.88Å; F246-P298 VanDerWaalsContact CZ-CD 3.41Å; F246-P298 HydrophobicContact CZ-CG 3.98Å; N296-P298 VanDerWaalsContact OD1-CD 3.3Å; N296-P298 WeakPolarHBondContact OD1-CD 3.48Å; P298-V300 PolarHBondContact O-N 3.15Å; P298-L301 PolarHBondContact O-N 2.81Å; P298-R302 WeakPolarHBondContact O-CB 3.29Å; P298-R302 PolarHBondContact O-N 3.23Å; P298-Y501 HydrophobicContact CB-CE1 3.8Å; P298-Y501 HydrophobicContact CG-CD1 4.33Å; P298-Y501 HydrophobicContact CG-CE1 3.62Å; P298-L504 HydrophobicContact CG-CD1 4.2Å
299	G	75.4	Confident	77.3	Confident	10 Å²	10	38.9 Å²	38.9	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-40.1	172.7	0	0	0	0	0	112.9	N296 I297 R302 R303	N296-G299 PolarHBondContact OD1-N 2.83Å; I297-G299 VanDerWaalsContact C-N 3.29Å; I297-G299 PolarHBondContact O-N 2.85Å; G299-R302 PolarHBondContact O-N 2.78Å; G299-R303 WeakPolarHBondContact O-CG 3.27Å; G299-R303 PolarHBondContact O-N 2.88Å
300	V	79.9	Confident	76.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-44.6	174.9	170.7	0	0	0	0	111.4	N296 I297 P298 R302 R303 M304 D313 L317	N296-V300 WeakPolarHBondContact O-CG2 3.13Å; N296-V300 PolarHBondContact O-N 3.12Å; I297-V300 CarbonylContact O-C 3.57Å; I297-V300 WeakPolarHBondContact O-CA 3.48Å; I297-V300 WeakPolarHBondContact O-CB 3.02Å; I297-V300 PolarHBondContact O-N 3.47Å; P298-V300 PolarHBondContact O-N 3.15Å; V300-R302 VanDerWaalsContact C-N 3.3Å; V300-R302 PolarHBondContact O-N 3.37Å; V300-R303 PolarHBondContact O-N 2.88Å; V300-M304 HydrophobicContact CG1-CE 3.67Å; V300-M304 HydrophobicContact CG1-CG 4.4Å; V300-M304 HydrophobicContact CG1-SD 4.1Å; V300-M304 WeakPolarHBondContact O-CB 3.38Å; V300-M304 VanDerWaalsContact O-CG 3.29Å; V300-M304 WeakPolarHBondContact O-CG 3.44Å; V300-M304 PolarHBondContact O-N 2.85Å; V300-D313 HydrophobicContact CG1-CB 3.99Å; V300-D313 HydrophobicContact CG2-CB 4Å; V300-L317 HydrophobicContact CG1-CB 4.44Å
301	L	78.8	Confident	76.5	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-36.4	177.6	-69.1	177.3	0	0	0	111.9	L188 I297 P298 M304 T305 V493 L494 L500 Y501	L188-L301 HydrophobicContact CD1-CB 4.36Å; I297-L301 HydrophobicContact CG2-CD1 3.65Å; I297-L301 HydrophobicContact CG2-CD2 4.46Å; I297-L301 HydrophobicContact CG2-CG 3.71Å; I297-L301 WeakPolarHBondContact O-CG 3.4Å; I297-L301 PolarHBondContact O-N 3.02Å; P298-L301 PolarHBondContact O-N 2.81Å; L301-M304 HydrophobicContact CD2-SD 4.19Å; L301-M304 WeakPolarHBondContact O-CB 3.32Å; L301-M304 PolarHBondContact O-N 3Å; L301-T305 PolarHBondContact O-N 3.28Å; L301-T305 PolarHBondContact O-OG1 3.33Å; L301-V493 HydrophobicContact CD2-CG1 4.2Å; L301-L494 HydrophobicContact CD2-CD2 4.47Å; L301-L500 HydrophobicContact CD2-CD1 4.16Å; L301-Y501 HydrophobicContact CD1-CD2 4.18Å; L301-Y501 HydrophobicContact CD1-CE2 3.57Å
302	R	73.4	Confident	76.2	Confident	28 Å²	28	45.9 Å²	45.9	11%	0.106	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-51	172.3	-178.4	172.6	162.1	-140.1	-29	110.7	S50 G175 P298 G299 V300 M304 T305 L306	S50-R302 PolarHBondContact O-NH1 3.15Å; G175-R302 VanDerWaalsContact C-NH2 3.32Å; G175-R302 PolarHBondContact O-NH2 3.03Å; P298-R302 WeakPolarHBondContact O-CB 3.29Å; P298-R302 PolarHBondContact O-N 3.23Å; G299-R302 PolarHBondContact O-N 2.78Å; V300-R302 VanDerWaalsContact C-N 3.3Å; V300-R302 PolarHBondContact O-N 3.37Å; R302-M304 VanDerWaalsContact C-N 3.26Å; R302-M304 PolarHBondContact O-N 3.12Å; R302-T305 WeakPolarHBondContact O-CB 3.27Å; R302-T305 PolarHBondContact O-N 3.45Å; R302-L306 HydrophobicContact CG-CD1 4.17Å; R302-L306 VanDerWaalsContact O-CG 3.32Å; R302-L306 WeakPolarHBondContact O-CG 3.33Å; R302-L306 PolarHBondContact O-N 3.16Å
303	R	75.8	Confident	76.1	Confident	74 Å²	74	38.4 Å²	38.4	28%	0.279	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-33.8	174.9	-72	-168.2	-66.3	-83.5	5.4	113.1	G299 V300 L306 S307 S308 D313	G299-R303 WeakPolarHBondContact O-CG 3.27Å; G299-R303 PolarHBondContact O-N 2.88Å; V300-R303 PolarHBondContact O-N 2.88Å; R303-L306 CarbonylContact O-C 3.58Å; R303-L306 PolarHBondContact O-N 2.82Å; R303-S307 PolarHBondContact O-N 3.44Å; R303-S307 VanDerWaalsContact O-N 3.12Å; R303-S308 PolarHBondContact O-N 3Å; R303-D313 IonicContact CZ-OD1 2.88Å; R303-D313 IonicContact CZ-OD2 3.23Å; R303-D313 IonicContact NE-OD1 2.7Å; R303-D313 PolarHBondContact NE-OD1 2.89Å; R303-D313 IonicContact NE-OD2 2.67Å; R303-D313 PolarHBondContact NE-OD2 3.25Å; R303-D313 IonicContact NH2-OD1 3.78Å; R303-D313 PolarHBondContact NH2-OD1 2.88Å; R303-D313 IonicContact NH2-OD2 2.78Å
304	M	77.5	Confident	76.1	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-41.8	172.6	-76.6	178.5	173.7	0	0	112.4	V300 L301 R302 L306 S307 T309 W314 L317 Q490 V493 L494	V300-M304 HydrophobicContact CG1-CE 3.67Å; V300-M304 HydrophobicContact CG1-CG 4.4Å; V300-M304 HydrophobicContact CG1-SD 4.1Å; V300-M304 WeakPolarHBondContact O-CB 3.38Å; V300-M304 VanDerWaalsContact O-CG 3.29Å; V300-M304 WeakPolarHBondContact O-CG 3.44Å; V300-M304 PolarHBondContact O-N 2.85Å; L301-M304 HydrophobicContact CD2-SD 4.19Å; L301-M304 WeakPolarHBondContact O-CB 3.32Å; L301-M304 PolarHBondContact O-N 3Å; R302-M304 VanDerWaalsContact C-N 3.26Å; R302-M304 PolarHBondContact O-N 3.12Å; M304-L306 PolarHBondContact O-N 2.83Å; M304-S307 PolarHBondContact O-N 3.1Å; M304-S307 VanDerWaalsContact O-N 3.15Å; M304-T309 HydrophobicContact CB-CG2 4.09Å; M304-T309 HydrophobicContact CG-CG2 3.39Å; M304-W314 HydrophobicContact CE-CD2 3.95Å; M304-W314 HydrophobicContact CE-CE3 3.65Å; M304-W314 HydrophobicContact CE-CH2 3.59Å; M304-W314 HydrophobicContact CE-CZ2 3.9Å; M304-W314 HydrophobicContact CE-CZ3 3.45Å; M304-W314 VanDerWaalsContact CE-CZ3 3.45Å; M304-W314 HydrophobicContact SD-CH2 4.45Å; M304-L317 HydrophobicContact CE-CD2 3.53Å; M304-L317 HydrophobicContact SD-CD2 4.21Å; M304-Q490 HydrophobicContact CG-CG 4.43Å; M304-V493 HydrophobicContact SD-CG1 4.05Å; M304-L494 HydrophobicContact CB-CD2 4.24Å
305	T	71	Confident	76.3	Confident	23 Å²	23	36.8 Å²	36.8	14%	0.141	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-35	176.8	-52.3	0	0	0	0	111.4	P132 P186 L301 R302 S307	P132-T305 HydrophobicContact CB-CG2 4.07Å; P132-T305 HydrophobicContact CG-CG2 3.71Å; P186-T305 HydrophobicContact CB-CG2 3.88Å; P186-T305 HydrophobicContact CG-CG2 4.31Å; L301-T305 PolarHBondContact O-N 3.28Å; L301-T305 PolarHBondContact O-OG1 3.33Å; R302-T305 WeakPolarHBondContact O-CB 3.27Å; R302-T305 PolarHBondContact O-N 3.45Å; T305-S307 VanDerWaalsContact C-N 3.25Å; T305-S307 PolarHBondContact O-N 3.08Å
306	L	69.5	Low	76.6	Confident	20 Å²	20	32.3 Å²	32.3	11%	0.105	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	2.3	177.5	-65.8	-179.4	0	0	0	113.6	V176 E179 V183 R302 R303 M304 S308	V176-L306 HydrophobicContact CB-CD2 4.4Å; V176-L306 HydrophobicContact CG1-CD2 4.04Å; V176-L306 HydrophobicContact CG2-CD2 3.68Å; E179-L306 VanDerWaalsContact OE1-CB 3.24Å; E179-L306 WeakPolarHBondContact OE1-CB 3.32Å; E179-L306 WeakPolarHBondContact OE2-CD2 3.21Å; V183-L306 HydrophobicContact CG1-CD2 4.05Å; R302-L306 HydrophobicContact CG-CD1 4.17Å; R302-L306 VanDerWaalsContact O-CG 3.32Å; R302-L306 WeakPolarHBondContact O-CG 3.33Å; R302-L306 PolarHBondContact O-N 3.16Å; R303-L306 CarbonylContact O-C 3.58Å; R303-L306 PolarHBondContact O-N 2.82Å; M304-L306 PolarHBondContact O-N 2.83Å; L306-S308 PolarHBondContact O-N 3.49Å
307	S	69.8	Low	77.1	Confident	75 Å²	75	29.6 Å²	29.6	52%	0.524	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	17.6	-177.5	-52.6	0	0	0	0	115.1	R303 M304 T305	R303-S307 PolarHBondContact O-N 3.44Å; R303-S307 VanDerWaalsContact O-N 3.12Å; M304-S307 PolarHBondContact O-N 3.1Å; M304-S307 VanDerWaalsContact O-N 3.15Å; T305-S307 VanDerWaalsContact C-N 3.25Å; T305-S307 PolarHBondContact O-N 3.08Å
308	S	70.4	Confident	77.6	Confident	57 Å²	57	31.8 Å²	31.8	40%	0.399	17%	0.169	S	C	.	.			trans	-106.7	42.6	-175	57.2	0	0	0	0	112.7	R303 L306	R303-S308 PolarHBondContact O-N 3Å; L306-S308 PolarHBondContact O-N 3.49Å
309	T	72.5	Confident	78.2	Confident	22 Å²	22	35.9 Å²	35.9	14%	0.135	19%	0.187	C	C	.	.			trans	-79.5	134.4	-175.2	55.7	0	0	0	0	113.5	M304 W314 Q490	M304-T309 HydrophobicContact CB-CG2 4.09Å; M304-T309 HydrophobicContact CG-CG2 3.39Å; T309-W314 HydrophobicContact CG2-CZ2 4.48Å; T309-W314 PolarHBondContact OG1-NE1 3.49Å; T309-Q490 VanDerWaalsContact CG2-NE2 3.28Å; T309-Q490 PolarHBondContact OG1-NE2 3.26Å
310	K	77.8	Confident	78.7	Confident	128 Å²	128	35.5 Å²	35.5	56%	0.557	18%	0.183	S	C	*	.			trans	-90.3	159.7	169.5	-63.6	178.7	-177.9	174.5	0	111.2	T312 D313	K310-T312 WeakPolarHBondContact CB-OG1 3.43Å; K310-T312 PolarHBondContact O-N 2.9Å; K310-D313 PolarHBondContact N-OD2 2.93Å; K310-D313 VanDerWaalsContact N-OD2 3.08Å; K310-D313 VanDerWaalsContact O-CB 3.32Å; K310-D313 WeakPolarHBondContact O-CB 3.24Å; K310-D313 PolarHBondContact O-N 3.31Å
311	V	77.8	Confident	79	Confident	20 Å²	20	35.5 Å²	35.5	12%	0.121	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-37.2	174.4	177.6	0	0	0	0	111.7	D313 W314 Q315 S368	V311-D313 PolarHBondContact O-N 3.34Å; V311-W314 PolarHBondContact O-N 3.06Å; V311-Q315 PolarHBondContact O-N 3.4Å; V311-Q315 VanDerWaalsContact O-N 3.17Å; V311-S368 VanDerWaalsContact CG1-CB 3.43Å
312	T	79.5	Confident	79.4	Confident	78 Å²	78	41.6 Å²	41.6	48%	0.479	21%	0.207	S	C	.	.	H	α-helix	trans	-59.6	-32.8	176.2	52.4	0	0	0	0	112.5	K310 Q315 C316	K310-T312 WeakPolarHBondContact CB-OG1 3.43Å; K310-T312 PolarHBondContact O-N 2.9Å; T312-Q315 PolarHBondContact O-N 2.68Å; T312-C316 WeakPolarHBondContact O-CB 3.35Å; T312-C316 PolarHBondContact O-N 3.15Å
313	D	82.7	Confident	80	Confident	10 Å²	10	40.6 Å²	40.6	5%	0.053	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-39.9	180	-63.4	-27.7	0	0	0	111.4	V300 R303 K310 V311 C316 L317	V300-D313 HydrophobicContact CG1-CB 3.99Å; V300-D313 HydrophobicContact CG2-CB 4Å; R303-D313 IonicContact CZ-OD1 2.88Å; R303-D313 IonicContact CZ-OD2 3.23Å; R303-D313 IonicContact NE-OD1 2.7Å; R303-D313 PolarHBondContact NE-OD1 2.89Å; R303-D313 IonicContact NE-OD2 2.67Å; R303-D313 PolarHBondContact NE-OD2 3.25Å; R303-D313 IonicContact NH2-OD1 3.78Å; R303-D313 PolarHBondContact NH2-OD1 2.88Å; R303-D313 IonicContact NH2-OD2 2.78Å; K310-D313 PolarHBondContact N-OD2 2.93Å; K310-D313 VanDerWaalsContact N-OD2 3.08Å; K310-D313 VanDerWaalsContact O-CB 3.32Å; K310-D313 WeakPolarHBondContact O-CB 3.24Å; K310-D313 PolarHBondContact O-N 3.31Å; V311-D313 PolarHBondContact O-N 3.34Å; D313-C316 WeakPolarHBondContact O-CB 3.36Å; D313-C316 PolarHBondContact O-N 3Å; D313-L317 WeakPolarHBondContact O-CB 3.34Å; D313-L317 PolarHBondContact O-N 2.9Å
314	W	82.9	Confident	80.5	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-66	-41.5	175.3	-69.4	105.2	0	0	0	112.1	M304 T309 V311 L317 Y318 I359 F365 F374 M486 L489 Q490 V493	M304-W314 HydrophobicContact CE-CD2 3.95Å; M304-W314 HydrophobicContact CE-CE3 3.65Å; M304-W314 HydrophobicContact CE-CH2 3.59Å; M304-W314 HydrophobicContact CE-CZ2 3.9Å; M304-W314 HydrophobicContact CE-CZ3 3.45Å; M304-W314 VanDerWaalsContact CE-CZ3 3.45Å; M304-W314 HydrophobicContact SD-CH2 4.45Å; T309-W314 HydrophobicContact CG2-CZ2 4.48Å; T309-W314 PolarHBondContact OG1-NE1 3.49Å; V311-W314 PolarHBondContact O-N 3.06Å; W314-L317 PolarHBondContact O-N 3.38Å; W314-Y318 WeakPolarHBondContact O-CB 3.37Å; W314-Y318 PolarHBondContact O-N 3.33Å; W314-I359 HydrophobicContact CE3-CG1 4.48Å; W314-I359 HydrophobicContact CZ3-CG1 4.43Å; W314-F365 HydrophobicContact CB-CE1 4.41Å; W314-F374 AromaticContact CD1-CD2 3.85Å; W314-F374 HydrophobicContact CD2-CE2 4.28Å; W314-F374 HydrophobicContact CG-CD2 4.39Å; W314-F374 HydrophobicContact CG-CE2 4.36Å; W314-F374 AromaticContact NE1-CD2 3.77Å; W314-F374 AromaticContact NE1-CE2 3.98Å; W314-M486 HydrophobicContact CZ2-CG 4.06Å; W314-L489 HydrophobicContact CE3-CD2 4.08Å; W314-L489 HydrophobicContact CH2-CB 4.32Å; W314-L489 HydrophobicContact CH2-CD2 3.7Å; W314-L489 HydrophobicContact CH2-CG 3.72Å; W314-L489 HydrophobicContact CZ2-CD2 4.36Å; W314-L489 HydrophobicContact CZ3-CD2 3.55Å; W314-L489 HydrophobicContact CZ3-CG 3.76Å; W314-Q490 HydrophobicContact CH2-CG 3.7Å; W314-Q490 HydrophobicContact CZ2-CG 3.51Å; W314-V493 HydrophobicContact CZ3-CG2 4.38Å
315	Q	83.6	Confident	80.9	Confident	54 Å²	54	37.8 Å²	37.8	25%	0.252	20%	0.195	S	C	.	.	H	α-helix	trans	-65.7	-41.3	176	-164	-170.7	28.4	0	0	111.3	V311 T312 Y318 K319 F365	V311-Q315 PolarHBondContact O-N 3.4Å; V311-Q315 VanDerWaalsContact O-N 3.17Å; T312-Q315 PolarHBondContact O-N 2.68Å; Q315-Y318 PolarHBondContact O-N 3.37Å; Q315-K319 HydrophobicContact CG-CD 4.35Å; Q315-K319 WeakPolarHBondContact O-CB 3.37Å; Q315-K319 VanDerWaalsContact O-CG 3.31Å; Q315-K319 WeakPolarHBondContact O-CG 3.36Å; Q315-K319 PolarHBondContact O-N 3.11Å; Q315-F365 HydrophobicContact CB-CD1 4.11Å; Q315-F365 HydrophobicContact CB-CE1 4.12Å; Q315-F365 HydrophobicContact CG-CD1 4.2Å; Q315-F365 HydrophobicContact CG-CE1 4.43Å
316	C	84.5	Confident	81.6	Confident	8 Å²	8	38.4 Å²	38.4	5%	0.054	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-49.1	175.2	173.9	0	0	0	0	111.7	R295 T312 D313 K319 T320	R295-C316 WeakPolarHBondContact CB-SG 3.47Å; T312-C316 WeakPolarHBondContact O-CB 3.35Å; T312-C316 PolarHBondContact O-N 3.15Å; D313-C316 WeakPolarHBondContact O-CB 3.36Å; D313-C316 PolarHBondContact O-N 3Å; C316-K319 PolarHBondContact O-N 2.92Å; C316-T320 WeakPolarHBondContact O-CB 3.48Å; C316-T320 PolarHBondContact O-N 3.17Å; C316-T320 PolarHBondContact O-OG1 2.77Å
317	L	86.1	Confident	82.4	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-48.5	176.9	-178.7	64.7	0	0	0	110.9	I297 V300 M304 D313 W314 T320 V321 I359 V493 L500	I297-L317 HydrophobicContact CD1-CD1 4.46Å; I297-L317 HydrophobicContact CG2-CD1 4.21Å; V300-L317 HydrophobicContact CG1-CB 4.44Å; M304-L317 HydrophobicContact CE-CD2 3.53Å; M304-L317 HydrophobicContact SD-CD2 4.21Å; D313-L317 WeakPolarHBondContact O-CB 3.34Å; D313-L317 PolarHBondContact O-N 2.9Å; W314-L317 PolarHBondContact O-N 3.38Å; L317-T320 PolarHBondContact O-N 3.05Å; L317-V321 HydrophobicContact CD1-CG2 4.04Å; L317-V321 HydrophobicContact CG-CG2 4.34Å; L317-V321 VanDerWaalsContact O-CG2 3.28Å; L317-V321 WeakPolarHBondContact O-CG2 3.2Å; L317-V321 PolarHBondContact O-N 2.63Å; L317-I359 HydrophobicContact CD2-CD1 3.64Å; L317-I359 HydrophobicContact CG-CD1 3.97Å; L317-V493 HydrophobicContact CD2-CG1 3.98Å; L317-L500 HydrophobicContact CD1-CD1 4.38Å
318	Y	87.1	Confident	83.1	Confident	51 Å²	51	36 Å²	36	20%	0.2	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-49.9	179.1	177.8	-106.3	0	0	0	112.4	W314 Q315 T320 V321 Y322 A356 I359 N360 F365	W314-Y318 WeakPolarHBondContact O-CB 3.37Å; W314-Y318 PolarHBondContact O-N 3.33Å; Q315-Y318 PolarHBondContact O-N 3.37Å; Y318-T320 VanDerWaalsContact C-N 3.26Å; Y318-T320 PolarHBondContact O-N 3.16Å; Y318-V321 PolarHBondContact O-N 2.86Å; Y318-Y322 VanDerWaalsContact O-CB 3.27Å; Y318-Y322 WeakPolarHBondContact O-CB 3.38Å; Y318-Y322 PolarHBondContact O-N 3.1Å; Y318-A356 HydrophobicContact CE2-CB 4.5Å; Y318-I359 HydrophobicContact CD2-CB 4.38Å; Y318-I359 HydrophobicContact CD2-CG2 4.14Å; Y318-I359 HydrophobicContact CG-CG2 4.41Å; Y318-N360 HydrophobicContact CE2-CB 3.75Å; Y318-F365 AromaticContact CD1-CE2 3.9Å; Y318-F365 HydrophobicContact CD1-CE2 3.9Å; Y318-F365 AromaticContact CD1-CZ 3.99Å; Y318-F365 HydrophobicContact CD1-CZ 3.99Å; Y318-F365 HydrophobicContact CD2-CZ 4.43Å; Y318-F365 HydrophobicContact CE1-CE2 4.33Å; Y318-F365 AromaticContact CG-CE2 4Å; Y318-F365 HydrophobicContact CG-CE2 4Å; Y318-F365 AromaticContact CG-CZ 3.76Å; Y318-F365 HydrophobicContact CG-CZ 3.76Å
319	K	86.3	Confident	83.8	Confident	90 Å²	90	36.3 Å²	36.3	39%	0.391	18%	0.176	S	C	.	.	H	α-helix	trans	-58.2	-40.6	177.3	-76.7	177	178	175	0	111.7	Q315 C316 S323	Q315-K319 HydrophobicContact CG-CD 4.35Å; Q315-K319 WeakPolarHBondContact O-CB 3.37Å; Q315-K319 VanDerWaalsContact O-CG 3.31Å; Q315-K319 WeakPolarHBondContact O-CG 3.36Å; Q315-K319 PolarHBondContact O-N 3.11Å; C316-K319 PolarHBondContact O-N 2.92Å; K319-S323 VanDerWaalsContact O-CB 3.32Å; K319-S323 WeakPolarHBondContact O-CB 2.95Å; K319-S323 PolarHBondContact O-N 3.03Å; K319-S323 PolarHBondContact O-OG 3.4Å
320	T	86.3	Confident	84.3	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-68.3	-48.8	180	-57	0	0	0	0	111.6	N293 I294 R295 I297 C316 L317 Y318 Y322 S323 A324	N293-T320 PolarHBondContact O-OG1 3.47Å; I294-T320 HydrophobicContact CB-CG2 4.09Å; I294-T320 HydrophobicContact CG1-CG2 4.14Å; I294-T320 HydrophobicContact CG2-CG2 3.73Å; R295-T320 PolarHBondContact N-OG1 3.24Å; I297-T320 HydrophobicContact CD1-CG2 3.5Å; I297-T320 VanDerWaalsContact CD1-CG2 3.5Å; I297-T320 HydrophobicContact CG1-CG2 3.81Å; C316-T320 WeakPolarHBondContact O-CB 3.48Å; C316-T320 PolarHBondContact O-N 3.17Å; C316-T320 PolarHBondContact O-OG1 2.77Å; L317-T320 PolarHBondContact O-N 3.05Å; Y318-T320 VanDerWaalsContact C-N 3.26Å; Y318-T320 PolarHBondContact O-N 3.16Å; T320-Y322 VanDerWaalsContact C-N 3.34Å; T320-Y322 PolarHBondContact O-N 3.29Å; T320-S323 PolarHBondContact O-N 3.09Å; T320-A324 WeakPolarHBondContact O-CB 3.35Å; T320-A324 PolarHBondContact O-N 2.91Å
321	V	86.4	Confident	84.6	Confident	1 Å²	1	31 Å²	31	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-43.1	178.6	178.4	0	0	0	0	110.4	L317 Y318 S323 A324 V325 L352 V355 A356 L500	L317-V321 HydrophobicContact CD1-CG2 4.04Å; L317-V321 HydrophobicContact CG-CG2 4.34Å; L317-V321 VanDerWaalsContact O-CG2 3.28Å; L317-V321 WeakPolarHBondContact O-CG2 3.2Å; L317-V321 PolarHBondContact O-N 2.63Å; Y318-V321 PolarHBondContact O-N 2.86Å; V321-S323 PolarHBondContact O-N 3.18Å; V321-A324 WeakPolarHBondContact O-CB 3.14Å; V321-A324 PolarHBondContact O-N 3.06Å; V321-V325 WeakPolarHBondContact O-CG2 3.33Å; V321-V325 PolarHBondContact O-N 3.3Å; V321-L352 HydrophobicContact CG1-CB 4Å; V321-L352 HydrophobicContact CG1-CD2 4.13Å; V321-L352 VanDerWaalsContact CG1-O 3.24Å; V321-L352 WeakPolarHBondContact CG1-O 3.44Å; V321-V355 HydrophobicContact CG2-CG1 4.45Å; V321-A356 HydrophobicContact CG1-CB 3.76Å; V321-L500 HydrophobicContact CG2-CD2 4.02Å
322	Y	86.3	Confident	84.7	Confident	129 Å²	129	39 Å²	39	51%	0.506	18%	0.183	S	C	.	.	H	α-helix	trans	-61	-44	176	-175	-96	0	0	0	112.1	Y318 T320 A324 V325 C326	Y318-Y322 VanDerWaalsContact O-CB 3.27Å; Y318-Y322 WeakPolarHBondContact O-CB 3.38Å; Y318-Y322 PolarHBondContact O-N 3.1Å; T320-Y322 VanDerWaalsContact C-N 3.34Å; T320-Y322 PolarHBondContact O-N 3.29Å; Y322-A324 VanDerWaalsContact C-N 3.33Å; Y322-A324 PolarHBondContact O-N 3.31Å; Y322-V325 WeakPolarHBondContact O-CB 3.42Å; Y322-V325 PolarHBondContact O-N 3.44Å; Y322-C326 VanDerWaalsContact CE1-SG 3.54Å; Y322-C326 PolarHBondContact O-N 3.45Å; Y322-C326 PolarHBondContact O-SG 3.05Å; Y322-C326 VanDerWaalsContact O-SG 3.36Å
323	S	86.3	Confident	84.8	Confident	7 Å²	7	43 Å²	43	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-38	177.4	-56.7	0	0	0	0	112	S290 N293 K319 T320 V321 V325 C326 I327	S290-S323 WeakPolarHBondContact O-CB 3.12Å; N293-S323 VanDerWaalsContact CB-OG 3.26Å; N293-S323 WeakPolarHBondContact CB-OG 3.31Å; K319-S323 VanDerWaalsContact O-CB 3.32Å; K319-S323 WeakPolarHBondContact O-CB 2.95Å; K319-S323 PolarHBondContact O-N 3.03Å; K319-S323 PolarHBondContact O-OG 3.4Å; T320-S323 PolarHBondContact O-N 3.09Å; V321-S323 PolarHBondContact O-N 3.18Å; S323-V325 VanDerWaalsContact C-N 3.32Å; S323-V325 PolarHBondContact O-N 2.97Å; S323-C326 PolarHBondContact O-N 2.87Å; S323-I327 VanDerWaalsContact O-CG1 3.3Å; S323-I327 WeakPolarHBondContact O-CG1 3.44Å; S323-I327 PolarHBondContact O-N 3.42Å
324	A	86	Confident	84.8	Confident	3 Å²	3	43.4 Å²	43.4	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-40.9	173.5	0	0	0	0	0	111.6	T320 V321 Y322 I327 R328 L348 L352 V503 L507	T320-A324 WeakPolarHBondContact O-CB 3.35Å; T320-A324 PolarHBondContact O-N 2.91Å; V321-A324 WeakPolarHBondContact O-CB 3.14Å; V321-A324 PolarHBondContact O-N 3.06Å; Y322-A324 VanDerWaalsContact C-N 3.33Å; Y322-A324 PolarHBondContact O-N 3.31Å; A324-I327 PolarHBondContact O-N 3.44Å; A324-R328 PolarHBondContact O-N 3.31Å; A324-L348 HydrophobicContact CB-CD2 3.89Å; A324-L348 VanDerWaalsContact O-CD2 3.3Å; A324-L348 WeakPolarHBondContact O-CD2 3.44Å; A324-L352 HydrophobicContact CB-CD2 4.4Å; A324-V503 HydrophobicContact CB-CG1 4.16Å; A324-L507 HydrophobicContact CB-CD1 3.77Å
325	V	86.1	Confident	84.7	Confident	13 Å²	13	46.2 Å²	46.2	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-46.7	172.9	166.9	0	0	0	0	111.7	V321 Y322 S323 I327 R328 D329 L352 H353	V321-V325 WeakPolarHBondContact O-CG2 3.33Å; V321-V325 PolarHBondContact O-N 3.3Å; Y322-V325 WeakPolarHBondContact O-CB 3.42Å; Y322-V325 PolarHBondContact O-N 3.44Å; S323-V325 VanDerWaalsContact C-N 3.32Å; S323-V325 PolarHBondContact O-N 2.97Å; V325-I327 VanDerWaalsContact C-N 3.28Å; V325-I327 PolarHBondContact O-N 3.46Å; V325-R328 WeakPolarHBondContact O-CB 3.3Å; V325-R328 PolarHBondContact O-N 3.29Å; V325-R328 VanDerWaalsContact O-N 3.17Å; V325-D329 PolarHBondContact O-N 3.25Å; V325-L352 HydrophobicContact CG2-CB 4.41Å; V325-H353 WeakPolarHBondContact CG1-CE1 3.45Å; V325-H353 VanDerWaalsContact CG1-NE2 3.26Å; V325-H353 WeakPolarHBondContact CG1-NE2 3.17Å; V325-H353 WeakPolarHBondContact CG2-CE1 3.47Å
326	C	85.8	Confident	84.3	Confident	37 Å²	37	47.1 Å²	47.1	25%	0.25	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-37.8	176.6	-64.8	0	0	0	0	112.7	Y322 S323 D329 S330	Y322-C326 VanDerWaalsContact CE1-SG 3.54Å; Y322-C326 PolarHBondContact O-N 3.45Å; Y322-C326 PolarHBondContact O-SG 3.05Å; Y322-C326 VanDerWaalsContact O-SG 3.36Å; S323-C326 PolarHBondContact O-N 2.87Å; C326-D329 PolarHBondContact O-N 3.43Å; C326-S330 WeakPolarHBondContact O-CB 3.27Å; C326-S330 PolarHBondContact O-N 3.47Å; C326-S330 PolarHBondContact O-OG 3.16Å
327	I	86	Confident	83.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.7	-46.3	175.4	-70	165.6	0	0	0	110.1	L287 L291 I294 S323 A324 V325 D329 S330 M331 L507 L510	L287-I327 HydrophobicContact CD2-CB 4.38Å; L287-I327 HydrophobicContact CD2-CG1 4.2Å; L287-I327 HydrophobicContact CD2-CG2 4.03Å; L291-I327 HydrophobicContact CD2-CD1 3.56Å; L291-I327 HydrophobicContact CG-CD1 4.03Å; I294-I327 HydrophobicContact CD1-CD1 4.16Å; S323-I327 VanDerWaalsContact O-CG1 3.3Å; S323-I327 WeakPolarHBondContact O-CG1 3.44Å; S323-I327 PolarHBondContact O-N 3.42Å; A324-I327 PolarHBondContact O-N 3.44Å; V325-I327 VanDerWaalsContact C-N 3.28Å; V325-I327 PolarHBondContact O-N 3.46Å; I327-D329 VanDerWaalsContact C-N 3.35Å; I327-D329 PolarHBondContact O-N 3.47Å; I327-S330 WeakPolarHBondContact O-CB 3.29Å; I327-S330 PolarHBondContact O-N 3.43Å; I327-M331 HydrophobicContact CG2-CE 4.36Å; I327-M331 HydrophobicContact CG2-CG 4.17Å; I327-M331 WeakPolarHBondContact O-CB 3.21Å; I327-M331 WeakPolarHBondContact O-CG 3.5Å; I327-M331 PolarHBondContact O-N 3.36Å; I327-L507 HydrophobicContact CB-CD2 4.29Å; I327-L507 HydrophobicContact CD1-CD2 3.81Å; I327-L507 HydrophobicContact CG2-CD2 3.72Å; I327-L510 HydrophobicContact CG2-CD2 4.03Å
328	R	85.2	Confident	83.6	Confident	43 Å²	43	51.4 Å²	51.4	16%	0.162	25%	0.25	C	S	.	.	H	α-helix	trans	-58.1	-47	176.9	-175.1	-159.8	69.2	-173.6	0.1	112	A324 V325 S330 M331 R332 L348 H353	A324-R328 PolarHBondContact O-N 3.31Å; V325-R328 WeakPolarHBondContact O-CB 3.3Å; V325-R328 PolarHBondContact O-N 3.29Å; V325-R328 VanDerWaalsContact O-N 3.17Å; R328-S330 VanDerWaalsContact C-N 3.28Å; R328-S330 PolarHBondContact O-N 2.83Å; R328-M331 WeakPolarHBondContact O-CB 3.12Å; R328-M331 PolarHBondContact O-N 2.82Å; R328-M331 VanDerWaalsContact O-N 3.12Å; R328-R332 PolarHBondContact O-N 3Å; R328-L348 HydrophobicContact CB-CB 3.96Å; R328-L348 HydrophobicContact CB-CD1 4.29Å; R328-L348 HydrophobicContact CB-CD2 4.09Å; R328-L348 HydrophobicContact CB-CG 4.33Å; R328-L348 WeakPolarHBondContact CD-O 3.45Å; R328-L348 HydrophobicContact CG-CB 3.73Å; R328-L348 PolarHBondContact NH1-O 3.5Å; R328-L348 VanDerWaalsContact NH1-O 3.11Å; R328-H353 PolarHBondContact NH1-CE1 2.83Å; R328-H353 PolarHBondContact NH1-ND1 3.46Å; R328-H353 VanDerWaalsContact NH1-ND1 3.18Å; R328-H353 PolarHBondContact NH2-CE1 3.01Å; R328-H353 PolarHBondContact NH2-NE2 3.41Å
329	D	84.4	Confident	83.4	Confident	65 Å²	65	53.8 Å²	53.8	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-38.5	-178.7	-67.9	-10.7	0	0	0	110.9	V325 C326 I327 M331 R332 H333	V325-D329 PolarHBondContact O-N 3.25Å; C326-D329 PolarHBondContact O-N 3.43Å; I327-D329 VanDerWaalsContact C-N 3.35Å; I327-D329 PolarHBondContact O-N 3.47Å; D329-M331 PolarHBondContact O-N 3.05Å; D329-R332 WeakPolarHBondContact O-CB 3.33Å; D329-R332 PolarHBondContact O-N 3.42Å; D329-H333 PolarHBondContact O-CD2 3.01Å
330	S	84.4	Confident	83.2	Confident	38 Å²	38	49.5 Å²	49.5	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-41.4	172.3	-56.9	0	0	0	0	112.1	C326 I327 R328 R332 H333	C326-S330 WeakPolarHBondContact O-CB 3.27Å; C326-S330 PolarHBondContact O-N 3.47Å; C326-S330 PolarHBondContact O-OG 3.16Å; I327-S330 WeakPolarHBondContact O-CB 3.29Å; I327-S330 PolarHBondContact O-N 3.43Å; R328-S330 VanDerWaalsContact C-N 3.28Å; R328-S330 PolarHBondContact O-N 2.83Å; S330-R332 VanDerWaalsContact C-N 3.33Å; S330-R332 PolarHBondContact O-N 3.07Å; S330-H333 PolarHBondContact O-N 3.32Å
331	M	82.2	Confident	83.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-30.3	179.2	-69	-76.5	152.7	0	0	113.1	F275 L287 I327 R328 D329 H333 L334 Q336 F341 I344 L510	F275-M331 HydrophobicContact CZ-CE 4.48Å; L287-M331 HydrophobicContact CD1-CE 3.25Å; L287-M331 HydrophobicContact CD2-CE 3.5Å; L287-M331 VanDerWaalsContact CD2-CE 3.5Å; L287-M331 HydrophobicContact CG-CE 3.99Å; I327-M331 HydrophobicContact CG2-CE 4.36Å; I327-M331 HydrophobicContact CG2-CG 4.17Å; I327-M331 WeakPolarHBondContact O-CB 3.21Å; I327-M331 WeakPolarHBondContact O-CG 3.5Å; I327-M331 PolarHBondContact O-N 3.36Å; R328-M331 WeakPolarHBondContact O-CB 3.12Å; R328-M331 PolarHBondContact O-N 2.82Å; R328-M331 VanDerWaalsContact O-N 3.12Å; D329-M331 PolarHBondContact O-N 3.05Å; M331-H333 PolarHBondContact O-N 3.17Å; M331-L334 HydrophobicContact CE-CD1 4.08Å; M331-L334 WeakPolarHBondContact O-CB 3.48Å; M331-L334 PolarHBondContact O-N 3.35Å; M331-L334 HydrophobicContact SD-CD1 3.72Å; M331-Q336 PolarHBondContact O-NE2 2.8Å; M331-F341 HydrophobicContact CE-CE1 4.48Å; M331-F341 HydrophobicContact SD-CB 4.36Å; M331-F341 HydrophobicContact SD-CD1 3.47Å; M331-F341 WeakPolarHBondContact SD-CD1 3.29Å; M331-F341 HydrophobicContact SD-CE1 3.92Å; M331-F341 HydrophobicContact SD-CG 3.98Å; M331-I344 HydrophobicContact CB-CG2 4.37Å; M331-I344 HydrophobicContact CG-CG2 3.99Å; M331-L510 HydrophobicContact CE-CD1 3.97Å; M331-L510 HydrophobicContact CE-CD2 3.59Å; M331-L510 HydrophobicContact CE-CG 4.43Å
332	R	81.4	Confident	83	Confident	187 Å²	187	54.7 Å²	54.7	71%	0.706	26%	0.264	S	S	*	.	H	α-helix	trans	-61.8	-29.1	176.1	-169	177.6	-178.4	-179.3	2.4	112.5	R328 D329 S330 L334	R328-R332 PolarHBondContact O-N 3Å; D329-R332 WeakPolarHBondContact O-CB 3.33Å; D329-R332 PolarHBondContact O-N 3.42Å; S330-R332 VanDerWaalsContact C-N 3.33Å; S330-R332 PolarHBondContact O-N 3.07Å; R332-L334 VanDerWaalsContact C-N 3.32Å
333	H	81.8	Confident	82.8	Confident	163 Å²	163	49.5 Å²	49.5	76%	0.755	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.8	177.6	-62.6	-60.6	0	0	0	113.6	D329 S330 M331	D329-H333 PolarHBondContact O-CD2 3.01Å; S330-H333 PolarHBondContact O-N 3.32Å; M331-H333 PolarHBondContact O-N 3.17Å
334	L	82.7	Confident	82.7	Confident	19 Å²	19	49.1 Å²	49.1	10%	0.099	24%	0.242	C	C	.	.	S	Bend	trans	-89.8	159.3	179.5	-62	178.5	0	0	0	111.9	F274 V283 M331 R332 Q336 F341	F274-L334 HydrophobicContact CE1-CD1 4.33Å; F274-L334 HydrophobicContact CE1-CD2 4.14Å; F274-L334 HydrophobicContact CZ-CD2 3.87Å; V283-L334 HydrophobicContact CG1-CD1 4.02Å; V283-L334 HydrophobicContact CG1-CD2 3.86Å; V283-L334 HydrophobicContact CG1-CG 4.48Å; V283-L334 HydrophobicContact CG2-CD2 4.37Å; M331-L334 HydrophobicContact CE-CD1 4.08Å; M331-L334 WeakPolarHBondContact O-CB 3.48Å; M331-L334 PolarHBondContact O-N 3.35Å; M331-L334 HydrophobicContact SD-CD1 3.72Å; R332-L334 VanDerWaalsContact C-N 3.32Å; L334-Q336 PolarHBondContact O-N 3.39Å; L334-Q336 VanDerWaalsContact O-N 3.15Å; L334-F341 HydrophobicContact CB-CD2 4.13Å; L334-F341 HydrophobicContact CB-CE2 4.49Å; L334-F341 HydrophobicContact CD1-CD2 4.47Å; L334-F341 HydrophobicContact CD1-CE2 4.32Å
335	P	80.4	Confident	82.5	Confident	59 Å²	59	50.5 Å²	50.5	38%	0.383	25%	0.251	S	S	.	.			trans	-61.9	118.6	180	23.7	-33.8	0	0	0	111.6	F274 S337 I338	F274-P335 HydrophobicContact CD2-CG 4.15Å; F274-P335 HydrophobicContact CE2-CG 3.5Å; F274-P335 HydrophobicContact CZ-CG 4.12Å; P335-S337 PolarHBondContact O-N 3.33Å; P335-S337 VanDerWaalsContact O-N 3.1Å; P335-I338 PolarHBondContact O-N 2.92Å
336	Q	75.6	Confident	82.2	Confident	74 Å²	74	55 Å²	55	35%	0.346	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	5	178.9	-62.6	-66.7	-40.2	0	0	113.6	M331 L334 I338 S345	M331-Q336 PolarHBondContact O-NE2 2.8Å; L334-Q336 PolarHBondContact O-N 3.39Å; L334-Q336 VanDerWaalsContact O-N 3.15Å; Q336-I338 PolarHBondContact O-N 3.27Å; Q336-S345 PolarHBondContact OE1-OG 3.16Å
337	S	73.4	Confident	81.6	Confident	92 Å²	92	57.5 Å²	57.5	64%	0.643	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-27	171.9	57.7	0	0	0	0	112	P335	P335-S337 PolarHBondContact O-N 3.33Å; P335-S337 VanDerWaalsContact O-N 3.1Å
338	I	82.5	Confident	80.6	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	28%	0.279	C	S	.	.	S	Bend	trans	-83.9	115.6	180	-62.8	169.2	0	0	0	108.3	E270 V271 F274 P335 Q336 L340 F341 W342	E270-I338 HydrophobicContact CG-CG1 3.98Å; V271-I338 HydrophobicContact CG2-CG2 3.66Å; F274-I338 HydrophobicContact CB-CD1 3.72Å; F274-I338 HydrophobicContact CD1-CD1 4.49Å; F274-I338 HydrophobicContact CD2-CD1 3.81Å; F274-I338 HydrophobicContact CG-CD1 3.74Å; P335-I338 PolarHBondContact O-N 2.92Å; Q336-I338 PolarHBondContact O-N 3.27Å; I338-L340 VanDerWaalsContact C-N 3.26Å; I338-L340 HydrophobicContact CG2-CB 4.39Å; I338-L340 PolarHBondContact O-N 3.29Å; I338-F341 HydrophobicContact CB-CB 4.43Å; I338-F341 HydrophobicContact CB-CD2 3.62Å; I338-F341 HydrophobicContact CB-CE2 4.05Å; I338-F341 HydrophobicContact CB-CG 4.05Å; I338-F341 HydrophobicContact CD1-CD2 3.7Å; I338-F341 HydrophobicContact CD1-CE2 3.28Å; I338-F341 HydrophobicContact CD1-CZ 4.09Å; I338-F341 HydrophobicContact CG1-CD2 4.18Å; I338-F341 HydrophobicContact CG1-CE2 4.21Å; I338-F341 HydrophobicContact CG2-CD1 4.27Å; I338-F341 HydrophobicContact CG2-CD2 3.86Å; I338-F341 HydrophobicContact CG2-CE1 4.42Å; I338-F341 HydrophobicContact CG2-CE2 4.06Å; I338-F341 HydrophobicContact CG2-CG 3.97Å; I338-F341 HydrophobicContact CG2-CZ 4.31Å; I338-F341 PolarHBondContact O-N 3.48Å; I338-W342 PolarHBondContact O-N 3.21Å
339	Q	81.4	Confident	79.7	Confident	101 Å²	101	58 Å²	58	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-55	-39.6	-174.1	-176.4	-179.3	-11.2	0	0	112.9	F341 W342 E343	Q339-F341 PolarHBondContact O-N 3.28Å; Q339-W342 PolarHBondContact O-N 3.35Å; Q339-E343 HydrophobicContact CG-CG 4.38Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.29Å; Q339-E343 PolarHBondContact NE2-OE1 3.47Å; Q339-E343 WeakPolarHBondContact O-CB 3.32Å; Q339-E343 WeakPolarHBondContact O-CG 3.3Å; Q339-E343 PolarHBondContact O-N 3.02Å
340	L	82.8	Confident	78.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-40.5	179.5	-173.4	125.7	0	0	0	112.3	V271 I338 W342 E343 I344 E509 L510 L513	V271-L340 HydrophobicContact CG2-CB 3.99Å; V271-L340 HydrophobicContact CG2-CD2 4.24Å; I338-L340 VanDerWaalsContact C-N 3.26Å; I338-L340 HydrophobicContact CG2-CB 4.39Å; I338-L340 PolarHBondContact O-N 3.29Å; L340-W342 VanDerWaalsContact C-N 3.33Å; L340-E343 PolarHBondContact O-N 2.91Å; L340-I344 HydrophobicContact CD2-CD1 3.54Å; L340-I344 HydrophobicContact CG-CD1 4.01Å; L340-I344 WeakPolarHBondContact O-CB 3.42Å; L340-I344 WeakPolarHBondContact O-CG1 3.41Å; L340-I344 PolarHBondContact O-N 3.18Å; L340-E509 HydrophobicContact CD1-CB 4.3Å; L340-E509 HydrophobicContact CD1-CG 3.58Å; L340-E509 VanDerWaalsContact CD1-OE1 3.24Å; L340-E509 WeakPolarHBondContact CD1-OE1 3.47Å; L340-E509 WeakPolarHBondContact CD1-OE2 3.4Å; L340-L510 HydrophobicContact CD2-CB 4.38Å; L340-L510 HydrophobicContact CD2-CD1 3.83Å; L340-L513 HydrophobicContact CD1-CD1 4Å
341	F	84	Confident	78.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.5	-37.5	178.7	-60.4	-18.4	0	0	0	111.4	V271 F274 F275 M331 L334 I338 Q339 S345 L510	V271-F341 HydrophobicContact CG1-CE1 4.12Å; V271-F341 HydrophobicContact CG1-CZ 4.25Å; F274-F341 AromaticContact CD1-CE2 3.66Å; F274-F341 HydrophobicContact CD1-CE2 3.66Å; F274-F341 AromaticContact CD1-CZ 3.75Å; F274-F341 HydrophobicContact CD1-CZ 3.75Å; F274-F341 AromaticContact CE1-CE2 3.86Å; F274-F341 HydrophobicContact CE1-CE2 3.86Å; F274-F341 HydrophobicContact CE1-CZ 4.18Å; F274-F341 HydrophobicContact CG-CE2 4.05Å; F274-F341 HydrophobicContact CG-CZ 4.37Å; F274-F341 HydrophobicContact CZ-CE2 4.42Å; F275-F341 AromaticContact CE2-CE1 3.87Å; F275-F341 HydrophobicContact CE2-CE1 3.87Å; F275-F341 AromaticContact CE2-CZ 3.66Å; F275-F341 HydrophobicContact CE2-CZ 3.66Å; F275-F341 AromaticContact CZ-CE1 3.98Å; F275-F341 HydrophobicContact CZ-CE1 3.98Å; F275-F341 AromaticContact CZ-CZ 3.72Å; F275-F341 HydrophobicContact CZ-CZ 3.72Å; M331-F341 HydrophobicContact CE-CE1 4.48Å; M331-F341 HydrophobicContact SD-CB 4.36Å; M331-F341 HydrophobicContact SD-CD1 3.47Å; M331-F341 WeakPolarHBondContact SD-CD1 3.29Å; M331-F341 HydrophobicContact SD-CE1 3.92Å; M331-F341 HydrophobicContact SD-CG 3.98Å; L334-F341 HydrophobicContact CB-CD2 4.13Å; L334-F341 HydrophobicContact CB-CE2 4.49Å; L334-F341 HydrophobicContact CD1-CD2 4.47Å; L334-F341 HydrophobicContact CD1-CE2 4.32Å; I338-F341 HydrophobicContact CB-CB 4.43Å; I338-F341 HydrophobicContact CB-CD2 3.62Å; I338-F341 HydrophobicContact CB-CE2 4.05Å; I338-F341 HydrophobicContact CB-CG 4.05Å; I338-F341 HydrophobicContact CD1-CD2 3.7Å; I338-F341 HydrophobicContact CD1-CE2 3.28Å; I338-F341 HydrophobicContact CD1-CZ 4.09Å; I338-F341 HydrophobicContact CG1-CD2 4.18Å; I338-F341 HydrophobicContact CG1-CE2 4.21Å; I338-F341 HydrophobicContact CG2-CD1 4.27Å; I338-F341 HydrophobicContact CG2-CD2 3.86Å; I338-F341 HydrophobicContact CG2-CE1 4.42Å; I338-F341 HydrophobicContact CG2-CE2 4.06Å; I338-F341 HydrophobicContact CG2-CG 3.97Å; I338-F341 HydrophobicContact CG2-CZ 4.31Å; I338-F341 PolarHBondContact O-N 3.48Å; Q339-F341 PolarHBondContact O-N 3.28Å; F341-S345 WeakPolarHBondContact O-CB 3.18Å; F341-S345 PolarHBondContact O-N 2.93Å; F341-S345 PolarHBondContact O-OG 3.43Å; F341-L510 HydrophobicContact CE1-CD1 4.14Å
342	W	84	Confident	78	Confident	112 Å²	112	63.3 Å²	63.3	42%	0.424	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-49.1	173.4	-179.6	77.5	0	0	0	111.7	I338 Q339 L340 I344 S345 E346	I338-W342 PolarHBondContact O-N 3.21Å; Q339-W342 PolarHBondContact O-N 3.35Å; L340-W342 VanDerWaalsContact C-N 3.33Å; W342-I344 VanDerWaalsContact C-N 3.33Å; W342-I344 PolarHBondContact O-N 3.11Å; W342-S345 PolarHBondContact O-N 3.38Å; W342-S345 PolarHBondContact O-OG 2.91Å; W342-E346 WeakPolarHBondContact CH2-OE2 3.44Å; W342-E346 WeakPolarHBondContact CZ2-OE1 3.43Å; W342-E346 WeakPolarHBondContact CZ2-OE2 3.37Å; W342-E346 WeakPolarHBondContact CZ3-OE2 3.31Å; W342-E346 WeakPolarHBondContact O-CB 3.49Å; W342-E346 PolarHBondContact O-N 3.46Å
343	E	83.3	Confident	77.9	Confident	20 Å²	20	57.6 Å²	57.6	9%	0.093	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-42.9	176.9	-76.8	179.3	-160.8	0	0	112.2	R267 Q339 L340 K347	R267-E343 IonicContact CZ-OE1 3.49Å; R267-E343 IonicContact CZ-OE2 3.69Å; R267-E343 VanDerWaalsContact NH1-CD 3.31Å; R267-E343 IonicContact NH1-OE1 3.51Å; R267-E343 PolarHBondContact NH1-OE1 2.88Å; R267-E343 IonicContact NH1-OE2 2.72Å; R267-E343 PolarHBondContact NH1-OE2 2.84Å; R267-E343 IonicContact NH2-OE1 2.87Å; R267-E343 IonicContact NH2-OE2 2.76Å; R267-E343 PolarHBondContact NH2-OE2 2.93Å; Q339-E343 HydrophobicContact CG-CG 4.38Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.29Å; Q339-E343 PolarHBondContact NE2-OE1 3.47Å; Q339-E343 WeakPolarHBondContact O-CB 3.32Å; Q339-E343 WeakPolarHBondContact O-CG 3.3Å; Q339-E343 PolarHBondContact O-N 3.02Å; L340-E343 PolarHBondContact O-N 2.91Å; E343-K347 HydrophobicContact CB-CD 4.44Å; E343-K347 WeakPolarHBondContact O-CB 3.43Å; E343-K347 WeakPolarHBondContact O-CG 3.43Å; E343-K347 PolarHBondContact O-N 2.6Å; E343-K347 IonicContact OE2-NZ 3.63Å
344	I	83.3	Confident	78.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-42.9	175.5	-70.1	171.3	0	0	0	110.2	M331 L340 W342 L348 L506 L510	M331-I344 HydrophobicContact CB-CG2 4.37Å; M331-I344 HydrophobicContact CG-CG2 3.99Å; L340-I344 HydrophobicContact CD2-CD1 3.54Å; L340-I344 HydrophobicContact CG-CD1 4.01Å; L340-I344 WeakPolarHBondContact O-CB 3.42Å; L340-I344 WeakPolarHBondContact O-CG1 3.41Å; L340-I344 PolarHBondContact O-N 3.18Å; W342-I344 VanDerWaalsContact C-N 3.33Å; W342-I344 PolarHBondContact O-N 3.11Å; I344-L348 HydrophobicContact CB-CD1 4.33Å; I344-L348 HydrophobicContact CG2-CD1 3.42Å; I344-L348 VanDerWaalsContact CG2-CD1 3.42Å; I344-L348 VanDerWaalsContact O-CB 3.29Å; I344-L348 WeakPolarHBondContact O-CB 3.41Å; I344-L348 WeakPolarHBondContact O-CD1 3.46Å; I344-L348 PolarHBondContact O-N 3.14Å; I344-L348 VanDerWaalsContact O-N 3.14Å; I344-L506 HydrophobicContact CG1-CB 4.08Å; I344-L506 HydrophobicContact CG1-CD1 4.46Å; I344-L510 HydrophobicContact CD1-CB 4.21Å; I344-L510 HydrophobicContact CD1-CD1 4.48Å; I344-L510 HydrophobicContact CD1-CD2 4.2Å
345	S	81.1	Confident	78.2	Confident	31 Å²	31	55 Å²	55	22%	0.217	27%	0.273	C	S	.	.	H	α-helix	trans	-67.9	-35.2	-179	75.7	0	0	0	0	113.7	Q336 F341 W342	Q336-S345 PolarHBondContact OE1-OG 3.16Å; F341-S345 WeakPolarHBondContact O-CB 3.18Å; F341-S345 PolarHBondContact O-N 2.93Å; F341-S345 PolarHBondContact O-OG 3.43Å; W342-S345 PolarHBondContact O-N 3.38Å; W342-S345 PolarHBondContact O-OG 2.91Å
346	E	80.4	Confident	78.4	Confident	109 Å²	109	52.8 Å²	52.8	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-86.1	-44.7	-178	-169.3	-172.4	-140.4	0	0	111.9	W342	W342-E346 WeakPolarHBondContact CH2-OE2 3.44Å; W342-E346 WeakPolarHBondContact CZ2-OE1 3.43Å; W342-E346 WeakPolarHBondContact CZ2-OE2 3.37Å; W342-E346 WeakPolarHBondContact CZ3-OE2 3.31Å; W342-E346 WeakPolarHBondContact O-CB 3.49Å; W342-E346 PolarHBondContact O-N 3.46Å
347	K	73	Confident	78.9	Confident	88 Å²	88	52.1 Å²	52.1	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-79.7	-21.9	-176.2	-64.4	175.6	176.3	171.1	0	113.7	E343 S349 L506	E343-K347 HydrophobicContact CB-CD 4.44Å; E343-K347 WeakPolarHBondContact O-CB 3.43Å; E343-K347 WeakPolarHBondContact O-CG 3.43Å; E343-K347 PolarHBondContact O-N 2.6Å; E343-K347 IonicContact OE2-NZ 3.63Å; K347-S349 PolarHBondContact O-N 3.17Å; K347-L506 HydrophobicContact CB-CD1 4.13Å; K347-L506 HydrophobicContact CD-CD1 3.91Å
348	L	64.4	Low	79.4	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	25%	0.245	C	C	.	.	S	Bend	trans	-73.8	71.4	164.5	-88	115.6	0	0	0	109.9	A324 R328 I344 L352 V503	A324-L348 HydrophobicContact CB-CD2 3.89Å; A324-L348 VanDerWaalsContact O-CD2 3.3Å; A324-L348 WeakPolarHBondContact O-CD2 3.44Å; R328-L348 HydrophobicContact CB-CB 3.96Å; R328-L348 HydrophobicContact CB-CD1 4.29Å; R328-L348 HydrophobicContact CB-CD2 4.09Å; R328-L348 HydrophobicContact CB-CG 4.33Å; R328-L348 WeakPolarHBondContact CD-O 3.45Å; R328-L348 HydrophobicContact CG-CB 3.73Å; R328-L348 PolarHBondContact NH1-O 3.5Å; R328-L348 VanDerWaalsContact NH1-O 3.11Å; I344-L348 HydrophobicContact CB-CD1 4.33Å; I344-L348 HydrophobicContact CG2-CD1 3.42Å; I344-L348 VanDerWaalsContact CG2-CD1 3.42Å; I344-L348 VanDerWaalsContact O-CB 3.29Å; I344-L348 WeakPolarHBondContact O-CB 3.41Å; I344-L348 WeakPolarHBondContact O-CD1 3.46Å; I344-L348 PolarHBondContact O-N 3.14Å; I344-L348 VanDerWaalsContact O-N 3.14Å; L348-L352 HydrophobicContact CB-CD1 4.4Å; L348-L352 HydrophobicContact CD2-CD1 4.17Å; L348-L352 HydrophobicContact CD2-CD2 4.37Å; L348-L352 HydrophobicContact CG-CD1 4.29Å; L348-V503 HydrophobicContact CD1-CG1 4.16Å; L348-V503 HydrophobicContact CD1-CG2 4.41Å; L348-V503 HydrophobicContact CD2-CG1 3.8Å; L348-V503 HydrophobicContact CD2-CG2 4.31Å; L348-V503 HydrophobicContact CG-CB 4.5Å; L348-V503 HydrophobicContact CG-CG1 3.91Å; L348-V503 HydrophobicContact CG-CG2 3.74Å
349	S	66.3	Low	79.6	Confident	52 Å²	52	49.3 Å²	49.3	36%	0.364	24%	0.244	S	C	.	.			trans	-62.3	174	-178.5	-64.8	0	0	0	0	114.3	K347 D351 L352	K347-S349 PolarHBondContact O-N 3.17Å; S349-D351 PolarHBondContact O-N 3.39Å; S349-D351 VanDerWaalsContact O-N 3.15Å; S349-L352 PolarHBondContact O-N 3.09Å
350	E	64.9	Low	79.9	Confident	167 Å²	167	47.6 Å²	47.6	78%	0.78	24%	0.238	S	C	*	.	H	α-helix	trans	-51.5	-24.9	164.9	-65.2	-177.9	163.7	0	0	113.3	L352 H353 Y354	E350-L352 VanDerWaalsContact C-N 3.31Å; E350-L352 PolarHBondContact O-N 3.29Å; E350-H353 CarbonylContact O-C 3.52Å; E350-H353 WeakPolarHBondContact O-CA 3.43Å; E350-H353 WeakPolarHBondContact O-CB 3.49Å; E350-H353 PolarHBondContact O-N 3.41Å; E350-Y354 WeakPolarHBondContact O-CB 3.39Å; E350-Y354 PolarHBondContact O-N 3.06Å
351	D	73.8	Confident	80	Confident	42 Å²	42	56 Å²	56	23%	0.225	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-40.2	178.6	-76.8	-24.6	0	0	0	112.9	S349 Y354 V355 K496 S499	S349-D351 PolarHBondContact O-N 3.39Å; S349-D351 VanDerWaalsContact O-N 3.15Å; D351-Y354 WeakPolarHBondContact O-CB 3.4Å; D351-Y354 PolarHBondContact O-N 3.43Å; D351-V355 VanDerWaalsContact O-CG2 3.32Å; D351-V355 WeakPolarHBondContact O-CG2 3.3Å; D351-V355 PolarHBondContact O-N 2.68Å; D351-K496 HydrophobicContact CB-CD 4.45Å; D351-K496 WeakPolarHBondContact OD1-CE 3.15Å; D351-K496 IonicContact OD1-NZ 3.08Å; D351-K496 PolarHBondContact OD1-NZ 3.38Å; D351-K496 IonicContact OD2-NZ 2.68Å; D351-S499 PolarHBondContact OD2-OG 3.33Å
352	L	76.6	Confident	80.1	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-71.7	-33.4	176.4	-70.5	109.1	0	0	0	111.9	V321 A324 V325 L348 S349 E350 Y354 V355 A356 L500 V503	V321-L352 HydrophobicContact CG1-CB 4Å; V321-L352 HydrophobicContact CG1-CD2 4.13Å; V321-L352 VanDerWaalsContact CG1-O 3.24Å; V321-L352 WeakPolarHBondContact CG1-O 3.44Å; A324-L352 HydrophobicContact CB-CD2 4.4Å; V325-L352 HydrophobicContact CG2-CB 4.41Å; L348-L352 HydrophobicContact CB-CD1 4.4Å; L348-L352 HydrophobicContact CD2-CD1 4.17Å; L348-L352 HydrophobicContact CD2-CD2 4.37Å; L348-L352 HydrophobicContact CG-CD1 4.29Å; S349-L352 PolarHBondContact O-N 3.09Å; E350-L352 VanDerWaalsContact C-N 3.31Å; E350-L352 PolarHBondContact O-N 3.29Å; L352-Y354 VanDerWaalsContact C-N 3.32Å; L352-V355 PolarHBondContact O-N 2.9Å; L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.25Å; L352-A356 PolarHBondContact O-N 3.43Å; L352-L500 HydrophobicContact CD2-CD2 3.83Å; L352-L500 HydrophobicContact CG-CD2 4.33Å; L352-V503 HydrophobicContact CD1-CG2 3.68Å; L352-V503 HydrophobicContact CD2-CB 4.39Å; L352-V503 HydrophobicContact CD2-CG1 4.13Å; L352-V503 HydrophobicContact CD2-CG2 4.25Å
353	H	81.2	Confident	80	Confident	67 Å²	67	51.4 Å²	51.4	31%	0.31	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-41.6	173.6	-75	54.7	0	0	0	110.6	V325 R328 E350 A356 A357	V325-H353 WeakPolarHBondContact CG1-CE1 3.45Å; V325-H353 VanDerWaalsContact CG1-NE2 3.26Å; V325-H353 WeakPolarHBondContact CG1-NE2 3.17Å; V325-H353 WeakPolarHBondContact CG2-CE1 3.47Å; R328-H353 PolarHBondContact NH1-CE1 2.83Å; R328-H353 PolarHBondContact NH1-ND1 3.46Å; R328-H353 VanDerWaalsContact NH1-ND1 3.18Å; R328-H353 PolarHBondContact NH2-CE1 3.01Å; R328-H353 PolarHBondContact NH2-NE2 3.41Å; E350-H353 CarbonylContact O-C 3.52Å; E350-H353 WeakPolarHBondContact O-CA 3.43Å; E350-H353 WeakPolarHBondContact O-CB 3.49Å; E350-H353 PolarHBondContact O-N 3.41Å; H353-A356 PolarHBondContact O-N 3.36Å; H353-A357 WeakPolarHBondContact O-CB 3.06Å; H353-A357 PolarHBondContact O-N 2.94Å
354	Y	84.6	Confident	80	Confident	127 Å²	127	52.1 Å²	52.1	50%	0.498	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-49	175.2	177.3	-101.6	0	0	0	110.8	E350 D351 L352 A357 L358	E350-Y354 WeakPolarHBondContact O-CB 3.39Å; E350-Y354 PolarHBondContact O-N 3.06Å; D351-Y354 WeakPolarHBondContact O-CB 3.4Å; D351-Y354 PolarHBondContact O-N 3.43Å; L352-Y354 VanDerWaalsContact C-N 3.32Å; Y354-A357 PolarHBondContact O-N 3.09Å; Y354-L358 HydrophobicContact CE1-CD2 4.18Å; Y354-L358 WeakPolarHBondContact O-CB 2.97Å; Y354-L358 PolarHBondContact O-N 3.4Å
355	V	84.3	Confident	79.8	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-46.5	177.8	171.6	0	0	0	0	111.4	V321 D351 L352 A357 L358 I359 V493 K496	V321-V355 HydrophobicContact CG2-CG1 4.45Å; D351-V355 VanDerWaalsContact O-CG2 3.32Å; D351-V355 WeakPolarHBondContact O-CG2 3.3Å; D351-V355 PolarHBondContact O-N 2.68Å; L352-V355 PolarHBondContact O-N 2.9Å; V355-A357 PolarHBondContact O-N 2.8Å; V355-L358 PolarHBondContact O-N 2.82Å; V355-I359 HydrophobicContact CG1-CD1 3.69Å; V355-I359 HydrophobicContact CG1-CG1 4.43Å; V355-I359 WeakPolarHBondContact O-CB 3.21Å; V355-I359 VanDerWaalsContact O-CG1 3.25Å; V355-I359 WeakPolarHBondContact O-CG1 3.46Å; V355-I359 PolarHBondContact O-N 2.93Å; V355-V493 HydrophobicContact CG1-CG2 4.26Å; V355-K496 HydrophobicContact CG2-CB 4.15Å
356	A	84.8	Confident	79.7	Confident	12 Å²	12	57.7 Å²	57.7	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-44.3	177.1	0	0	0	0	0	112.3	Y318 V321 L352 H353 N360	Y318-A356 HydrophobicContact CE2-CB 4.5Å; V321-A356 HydrophobicContact CG1-CB 3.76Å; L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.25Å; L352-A356 PolarHBondContact O-N 3.43Å; H353-A356 PolarHBondContact O-N 3.36Å; A356-N360 VanDerWaalsContact O-CB 3.28Å; A356-N360 WeakPolarHBondContact O-CB 3.26Å; A356-N360 PolarHBondContact O-N 3.3Å
357	A	86.2	Confident	79.4	Confident	59 Å²	59	53.8 Å²	53.8	49%	0.488	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-39.7	178.8	0	0	0	0	0	111.6	H353 Y354 V355 R361	H353-A357 WeakPolarHBondContact O-CB 3.06Å; H353-A357 PolarHBondContact O-N 2.94Å; Y354-A357 PolarHBondContact O-N 3.09Å; V355-A357 PolarHBondContact O-N 2.8Å; A357-R361 WeakPolarHBondContact O-CB 3.45Å; A357-R361 PolarHBondContact O-N 3.07Å
358	L	85.6	Confident	79.6	Confident	39 Å²	39	49.6 Å²	49.6	20%	0.204	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-48.7	177.4	-174.6	67.6	0	0	0	110.8	Y354 V355 R361 V362 L489 A492	Y354-L358 HydrophobicContact CE1-CD2 4.18Å; Y354-L358 WeakPolarHBondContact O-CB 2.97Å; Y354-L358 PolarHBondContact O-N 3.4Å; V355-L358 PolarHBondContact O-N 2.82Å; L358-R361 PolarHBondContact O-N 2.84Å; L358-V362 HydrophobicContact CD1-CG2 4.27Å; L358-V362 WeakPolarHBondContact O-CB 3.29Å; L358-V362 VanDerWaalsContact O-CG2 3.3Å; L358-V362 WeakPolarHBondContact O-CG2 3.22Å; L358-V362 PolarHBondContact O-N 2.72Å; L358-L489 HydrophobicContact CD2-CD1 3.6Å; L358-L489 HydrophobicContact CG-CD1 3.56Å; L358-A492 HydrophobicContact CD2-CB 3.94Å
359	I	86	Confident	80.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-47.3	177	-65.4	166.8	0	0	0	110.3	W314 L317 Y318 V355 R361 V362 V363 F365	W314-I359 HydrophobicContact CE3-CG1 4.48Å; W314-I359 HydrophobicContact CZ3-CG1 4.43Å; L317-I359 HydrophobicContact CD2-CD1 3.64Å; L317-I359 HydrophobicContact CG-CD1 3.97Å; Y318-I359 HydrophobicContact CD2-CB 4.38Å; Y318-I359 HydrophobicContact CD2-CG2 4.14Å; Y318-I359 HydrophobicContact CG-CG2 4.41Å; V355-I359 HydrophobicContact CG1-CD1 3.69Å; V355-I359 HydrophobicContact CG1-CG1 4.43Å; V355-I359 WeakPolarHBondContact O-CB 3.21Å; V355-I359 VanDerWaalsContact O-CG1 3.25Å; V355-I359 WeakPolarHBondContact O-CG1 3.46Å; V355-I359 PolarHBondContact O-N 2.93Å; I359-R361 VanDerWaalsContact C-N 3.28Å; I359-R361 PolarHBondContact O-N 2.86Å; I359-V362 PolarHBondContact O-N 3.05Å; I359-V363 HydrophobicContact CG2-CB 4.41Å; I359-V363 HydrophobicContact CG2-CG2 3.98Å; I359-V363 WeakPolarHBondContact O-CB 3.39Å; I359-V363 WeakPolarHBondContact O-CG2 3.46Å; I359-V363 PolarHBondContact O-N 3.22Å; I359-F365 HydrophobicContact CG2-CZ 3.81Å
360	N	87.1	Confident	80.6	Confident	66 Å²	66	59.2 Å²	59.2	35%	0.353	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-30.4	179.5	-172.6	33.4	0	0	0	113	Y318 A356 K377	Y318-N360 HydrophobicContact CE2-CB 3.75Å; A356-N360 VanDerWaalsContact O-CB 3.28Å; A356-N360 WeakPolarHBondContact O-CB 3.26Å; A356-N360 PolarHBondContact O-N 3.3Å; N360-K377 WeakPolarHBondContact O-CD 3.41Å; N360-K377 WeakPolarHBondContact O-CE 3.38Å; N360-K377 PolarHBondContact O-NZ 3.38Å; N360-K377 PolarHBondContact OD1-NZ 2.85Å; N360-K377 VanDerWaalsContact OD1-NZ 3.11Å
361	R	86.1	Confident	80.9	Confident	177 Å²	177	56.8 Å²	56.8	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-74.9	-37.7	177.3	179	176.4	166.4	169.8	-3.8	112	A357 L358 I359 V380	A357-R361 WeakPolarHBondContact O-CB 3.45Å; A357-R361 PolarHBondContact O-N 3.07Å; L358-R361 PolarHBondContact O-N 2.84Å; I359-R361 VanDerWaalsContact C-N 3.28Å; I359-R361 PolarHBondContact O-N 2.86Å; R361-V380 VanDerWaalsContact O-CG2 3.29Å; R361-V380 WeakPolarHBondContact O-CG2 3.47Å
362	V	84.6	Confident	80.9	Confident	13 Å²	13	60 Å²	60	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-89.8	-42.8	-172.3	176.8	0	0	0	0	112.3	L358 I359 F374 V376 K377 V380 V485 L489	L358-V362 HydrophobicContact CD1-CG2 4.27Å; L358-V362 WeakPolarHBondContact O-CB 3.29Å; L358-V362 VanDerWaalsContact O-CG2 3.3Å; L358-V362 WeakPolarHBondContact O-CG2 3.22Å; L358-V362 PolarHBondContact O-N 2.72Å; I359-V362 PolarHBondContact O-N 3.05Å; V362-F374 HydrophobicContact CG1-CZ 4.37Å; V362-V376 WeakPolarHBondContact O-CA 3.34Å; V362-K377 PolarHBondContact O-N 2.76Å; V362-V380 HydrophobicContact CG2-CG1 4.37Å; V362-V485 HydrophobicContact CG1-CG1 3.76Å; V362-L489 HydrophobicContact CB-CD2 4.32Å; V362-L489 HydrophobicContact CG1-CD2 4.07Å
363	V	82.9	Confident	80.8	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-92.7	128.8	-168.8	-172.7	0	0	0	0	111.4	I359 F365 F374 K377 L489	I359-V363 HydrophobicContact CG2-CB 4.41Å; I359-V363 HydrophobicContact CG2-CG2 3.98Å; I359-V363 WeakPolarHBondContact O-CB 3.39Å; I359-V363 WeakPolarHBondContact O-CG2 3.46Å; I359-V363 PolarHBondContact O-N 3.22Å; V363-F365 HydrophobicContact CB-CE1 4.38Å; V363-F365 HydrophobicContact CB-CZ 4.28Å; V363-F365 HydrophobicContact CG1-CD1 4.01Å; V363-F365 HydrophobicContact CG1-CE1 3.84Å; V363-F365 HydrophobicContact CG1-CZ 4.24Å; V363-F374 HydrophobicContact CB-CE2 4.42Å; V363-F374 HydrophobicContact CG1-CE2 4.14Å; V363-F374 HydrophobicContact CG2-CE2 3.57Å; V363-F374 HydrophobicContact CG2-CZ 3.9Å; V363-K377 WeakPolarHBondContact O-CD 3.26Å; V363-K377 WeakPolarHBondContact O-CE 3.34Å; V363-L489 HydrophobicContact CG2-CD2 3.76Å
364	D	82.5	Confident	80.7	Confident	36 Å²	36	60.3 Å²	60.3	19%	0.193	31%	0.306	C	S	.	.			trans	-94.6	100.2	169.9	-163.3	-29.6	0	0	0	109.8	D366 A367 S368 T375 K377	D364-D366 VanDerWaalsContact C-N 3.33Å; D364-D366 PolarHBondContact O-N 3.29Å; D364-D366 PolarHBondContact OD1-N 3.44Å; D364-A367 HydrophobicContact CB-CB 4.18Å; D364-A367 PolarHBondContact OD1-N 3.35Å; D364-S368 WeakPolarHBondContact O-CB 3.36Å; D364-S368 PolarHBondContact O-N 3.26Å; D364-S368 PolarHBondContact O-OG 2.96Å; D364-T375 PolarHBondContact N-O 3.41Å; D364-T375 PolarHBondContact O-OG1 3.01Å; D364-K377 HydrophobicContact CB-CG 3.66Å
365	F	79.4	Confident	80.6	Confident	28 Å²	28	54.3 Å²	54.3	12%	0.123	28%	0.283	C	S	.	.	H	α-helix	trans	-69.5	-30.3	-175.3	-66.3	-68.9	0	0	0	113.3	W314 Q315 Y318 I359 V363 L369	W314-F365 HydrophobicContact CB-CE1 4.41Å; Q315-F365 HydrophobicContact CB-CD1 4.11Å; Q315-F365 HydrophobicContact CB-CE1 4.12Å; Q315-F365 HydrophobicContact CG-CD1 4.2Å; Q315-F365 HydrophobicContact CG-CE1 4.43Å; Y318-F365 AromaticContact CD1-CE2 3.9Å; Y318-F365 HydrophobicContact CD1-CE2 3.9Å; Y318-F365 AromaticContact CD1-CZ 3.99Å; Y318-F365 HydrophobicContact CD1-CZ 3.99Å; Y318-F365 HydrophobicContact CD2-CZ 4.43Å; Y318-F365 HydrophobicContact CE1-CE2 4.33Å; Y318-F365 AromaticContact CG-CE2 4Å; Y318-F365 HydrophobicContact CG-CE2 4Å; Y318-F365 AromaticContact CG-CZ 3.76Å; Y318-F365 HydrophobicContact CG-CZ 3.76Å; I359-F365 HydrophobicContact CG2-CZ 3.81Å; V363-F365 HydrophobicContact CB-CE1 4.38Å; V363-F365 HydrophobicContact CB-CZ 4.28Å; V363-F365 HydrophobicContact CG1-CD1 4.01Å; V363-F365 HydrophobicContact CG1-CE1 3.84Å; V363-F365 HydrophobicContact CG1-CZ 4.24Å; F365-L369 WeakPolarHBondContact O-CD1 3.44Å; F365-L369 VanDerWaalsContact O-CG 3.27Å; F365-L369 WeakPolarHBondContact O-CG 3.2Å; F365-L369 PolarHBondContact O-N 2.97Å
366	D	78.2	Confident	80.6	Confident	120 Å²	120	54.5 Å²	54.5	64%	0.642	28%	0.284	S	S	*	.	H	α-helix	trans	-77.3	-51.7	-175.3	-63	-30.9	0	0	0	109.5	D364 S368 L369 E370	D364-D366 VanDerWaalsContact C-N 3.33Å; D364-D366 PolarHBondContact O-N 3.29Å; D364-D366 PolarHBondContact OD1-N 3.44Å; D366-S368 VanDerWaalsContact C-N 3.27Å; D366-S368 PolarHBondContact O-N 3.4Å; D366-L369 PolarHBondContact O-N 3.1Å; D366-E370 PolarHBondContact O-N 2.77Å
367	A	75.4	Confident	80.6	Confident	26 Å²	26	56.5 Å²	56.5	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-34.3	175.5	0	0	0	0	0	112.2	D364 L369 E370 E371 T375	D364-A367 HydrophobicContact CB-CB 4.18Å; D364-A367 PolarHBondContact OD1-N 3.35Å; A367-L369 VanDerWaalsContact C-N 3.3Å; A367-L369 PolarHBondContact O-N 3.43Å; A367-E370 PolarHBondContact O-N 2.96Å; A367-E371 PolarHBondContact O-N 2.94Å; A367-T375 WeakPolarHBondContact CB-OG1 3.03Å
368	S	77.7	Confident	80.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-28	178.9	-62	0	0	0	0	113.7	V311 D364 D366 S372 R373 T375	V311-S368 VanDerWaalsContact CG1-CB 3.43Å; D364-S368 WeakPolarHBondContact O-CB 3.36Å; D364-S368 PolarHBondContact O-N 3.26Å; D364-S368 PolarHBondContact O-OG 2.96Å; D366-S368 VanDerWaalsContact C-N 3.27Å; D366-S368 PolarHBondContact O-N 3.4Å; S368-S372 CarbonylContact O-C 3.35Å; S368-S372 VanDerWaalsContact O-CA 3.3Å; S368-S372 WeakPolarHBondContact O-CA 3.49Å; S368-S372 PolarHBondContact O-N 3.49Å; S368-S372 VanDerWaalsContact O-N 3.12Å; S368-R373 WeakPolarHBondContact CA-O 3.33Å; S368-R373 WeakPolarHBondContact CB-O 3.46Å; S368-R373 PolarHBondContact O-N 2.89Å; S368-R373 PolarHBondContact OG-O 2.75Å; S368-T375 PolarHBondContact N-OG1 2.79Å; S368-T375 VanDerWaalsContact N-OG1 3.13Å; S368-T375 PolarHBondContact OG-N 2.81Å; S368-T375 PolarHBondContact OG-OG1 3.02Å
369	L	75.9	Confident	79.9	Confident	87 Å²	87	62.4 Å²	62.4	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-76.1	-42.4	175.3	-75.9	168.2	0	0	0	111.2	F365 D366 A367 S372	F365-L369 WeakPolarHBondContact O-CD1 3.44Å; F365-L369 VanDerWaalsContact O-CG 3.27Å; F365-L369 WeakPolarHBondContact O-CG 3.2Å; F365-L369 PolarHBondContact O-N 2.97Å; D366-L369 PolarHBondContact O-N 3.1Å; A367-L369 VanDerWaalsContact C-N 3.3Å; A367-L369 PolarHBondContact O-N 3.43Å; L369-S372 PolarHBondContact O-N 3.26Å
370	E	74.2	Confident	79.6	Confident	170 Å²	170	64.5 Å²	64.5	79%	0.794	33%	0.331	S	S	*	.	H	α-helix	trans	-62.1	-45.3	177.7	-68.8	-179.6	175.5	0	0	111.9	D366 A367 S372	D366-E370 PolarHBondContact O-N 2.77Å; A367-E370 PolarHBondContact O-N 2.96Å; E370-S372 VanDerWaalsContact C-N 3.31Å
371	E	71.9	Confident	79.4	Confident	117 Å²	117	63.3 Å²	63.3	55%	0.547	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.9	179.6	-63.3	-173.3	-174	0	0	113.2	A367 R373 T375	A367-E371 PolarHBondContact O-N 2.94Å; E371-R373 HydrophobicContact CB-CB 4.23Å; E371-R373 PolarHBondContact O-N 3.38Å; E371-R373 VanDerWaalsContact O-N 3.15Å; E371-T375 HydrophobicContact CB-CG2 4.47Å; E371-T375 VanDerWaalsContact OE2-CG2 3.27Å; E371-T375 WeakPolarHBondContact OE2-CG2 3.47Å
372	S	73.8	Confident	79.4	Confident	108 Å²	108	59.8 Å²	59.8	76%	0.755	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	32.1	-171	-64.5	0	0	0	0	113	S368 L369 E370	S368-S372 CarbonylContact O-C 3.35Å; S368-S372 VanDerWaalsContact O-CA 3.3Å; S368-S372 WeakPolarHBondContact O-CA 3.49Å; S368-S372 PolarHBondContact O-N 3.49Å; S368-S372 VanDerWaalsContact O-N 3.12Å; L369-S372 PolarHBondContact O-N 3.26Å; E370-S372 VanDerWaalsContact C-N 3.31Å
373	R	75.2	Confident	79.4	Confident	62 Å²	62	61 Å²	61	23%	0.234	34%	0.337	C	S	.	.	S	Bend	trans	-145.6	150.9	-169.9	-178.3	167	175.2	-101.3	-39.4	111.3	S368 E371 T375 R479 E482	S368-R373 WeakPolarHBondContact CA-O 3.33Å; S368-R373 WeakPolarHBondContact CB-O 3.46Å; S368-R373 PolarHBondContact O-N 2.89Å; S368-R373 PolarHBondContact OG-O 2.75Å; E371-R373 HydrophobicContact CB-CB 4.23Å; E371-R373 PolarHBondContact O-N 3.38Å; E371-R373 VanDerWaalsContact O-N 3.15Å; R373-T375 PolarHBondContact O-N 3.12Å; R373-R479 VanDerWaalsContact CZ-CG 3.47Å; R373-E482 IonicContact CZ-OE2 3.4Å; R373-E482 VanDerWaalsContact CZ-OE2 3.26Å; R373-E482 IonicContact NH1-OE2 3.68Å; R373-E482 PolarHBondContact NH1-OE2 3.25Å; R373-E482 VanDerWaalsContact NH1-OE2 3.08Å; R373-E482 IonicContact NH2-OE2 3.53Å; R373-E482 PolarHBondContact NH2-OE2 2.84Å
374	F	79.1	Confident	79.4	Confident	17 Å²	17	61 Å²	61	8%	0.075	34%	0.337	C	S	.	.			trans	-64.9	116.4	174.4	-177.3	-89.5	0	0	0	110.5	W314 V362 V363 V376 M486 L489	W314-F374 AromaticContact CD1-CD2 3.85Å; W314-F374 HydrophobicContact CD2-CE2 4.28Å; W314-F374 HydrophobicContact CG-CD2 4.39Å; W314-F374 HydrophobicContact CG-CE2 4.36Å; W314-F374 AromaticContact NE1-CD2 3.77Å; W314-F374 AromaticContact NE1-CE2 3.98Å; V362-F374 HydrophobicContact CG1-CZ 4.37Å; V363-F374 HydrophobicContact CB-CE2 4.42Å; V363-F374 HydrophobicContact CG1-CE2 4.14Å; V363-F374 HydrophobicContact CG2-CE2 3.57Å; V363-F374 HydrophobicContact CG2-CZ 3.9Å; F374-V376 HydrophobicContact CD1-CG2 4.46Å; F374-V376 HydrophobicContact CE1-CG2 3.82Å; F374-M486 HydrophobicContact CB-SD 4.1Å; F374-M486 HydrophobicContact CD1-CB 3.78Å; F374-M486 HydrophobicContact CD1-CG 4.1Å; F374-M486 HydrophobicContact CD1-SD 4.4Å; F374-M486 HydrophobicContact CD2-CG 4.12Å; F374-M486 HydrophobicContact CD2-SD 4.32Å; F374-M486 HydrophobicContact CE1-CB 3.65Å; F374-M486 HydrophobicContact CE1-CG 4.14Å; F374-M486 HydrophobicContact CE2-CG 4.14Å; F374-M486 HydrophobicContact CG-CB 4.28Å; F374-M486 HydrophobicContact CG-CG 4.08Å; F374-M486 HydrophobicContact CG-SD 4.03Å; F374-M486 HydrophobicContact CZ-CB 4.04Å; F374-M486 HydrophobicContact CZ-CG 4.16Å; F374-L489 HydrophobicContact CE2-CD2 4.29Å; F374-L489 HydrophobicContact CZ-CD2 4.09Å
375	T	81.3	Confident	79.5	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	34%	0.335	C	S	.	.			trans	-119.3	140.5	176.4	59.6	0	0	0	0	110.9	D364 A367 S368 E371 R373	D364-T375 PolarHBondContact N-O 3.41Å; D364-T375 PolarHBondContact O-OG1 3.01Å; A367-T375 WeakPolarHBondContact CB-OG1 3.03Å; S368-T375 PolarHBondContact N-OG1 2.79Å; S368-T375 VanDerWaalsContact N-OG1 3.13Å; S368-T375 PolarHBondContact OG-N 2.81Å; S368-T375 PolarHBondContact OG-OG1 3.02Å; E371-T375 HydrophobicContact CB-CG2 4.47Å; E371-T375 VanDerWaalsContact OE2-CG2 3.27Å; E371-T375 WeakPolarHBondContact OE2-CG2 3.47Å; R373-T375 PolarHBondContact O-N 3.12Å
376	V	84.9	Confident	79.8	Confident	6 Å²	6	63.6 Å²	63.6	4%	0.036	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-89.5	137.3	180	-179.6	0	0	0	0	110	V362 F374 V380 K388 E482 V485	V362-V376 WeakPolarHBondContact O-CA 3.34Å; F374-V376 HydrophobicContact CD1-CG2 4.46Å; F374-V376 HydrophobicContact CE1-CG2 3.82Å; V376-V380 HydrophobicContact CG1-CB 3.54Å; V376-V380 HydrophobicContact CG1-CG1 3.76Å; V376-V380 HydrophobicContact CG1-CG2 3.89Å; V376-K388 PolarHBondContact O-NZ 3.43Å; V376-E482 HydrophobicContact CG2-CB 4.35Å; V376-E482 HydrophobicContact CG2-CG 4.04Å; V376-V485 HydrophobicContact CG1-CG1 4.49Å; V376-V485 HydrophobicContact CG2-CB 4.14Å; V376-V485 HydrophobicContact CG2-CG1 3.86Å
377	K	84.2	Confident	80.1	Confident	53 Å²	53	60 Å²	60	23%	0.23	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-60.7	151	175.1	-89.5	-176.8	177.4	171.2	0	112.4	N360 V362 V363 D364 V380	N360-K377 WeakPolarHBondContact O-CD 3.41Å; N360-K377 WeakPolarHBondContact O-CE 3.38Å; N360-K377 PolarHBondContact O-NZ 3.38Å; N360-K377 PolarHBondContact OD1-NZ 2.85Å; N360-K377 VanDerWaalsContact OD1-NZ 3.11Å; V362-K377 PolarHBondContact O-N 2.76Å; V363-K377 WeakPolarHBondContact O-CD 3.26Å; V363-K377 WeakPolarHBondContact O-CE 3.34Å; D364-K377 HydrophobicContact CB-CG 3.66Å; K377-V380 HydrophobicContact CB-CG2 4.12Å; K377-V380 VanDerWaalsContact O-CG2 3.32Å; K377-V380 WeakPolarHBondContact O-CG2 3.48Å
378	P	78	Confident	80.4	Confident	84 Å²	84	61.3 Å²	61.3	55%	0.545	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	144.4	175.3	26.9	-33.9	0	0	0	111.3
379	N	79.1	Confident	80.7	Confident	139 Å²	139	69.1 Å²	69.1	74%	0.743	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	15.1	-178.1	-43.8	-73.5	0	0	0	116.2	D385	N379-D385 VanDerWaalsContact CA-OD2 3.24Å; N379-D385 WeakPolarHBondContact CA-OD2 3Å; N379-D385 PolarHBondContact N-OD2 3.39Å
380	V	80.6	Confident	81	Confident	43 Å²	43	71.8 Å²	71.8	26%	0.261	36%	0.362	S	S	.	.	S	Bend	trans	-86.2	-46.7	172.3	177.7	0	0	0	0	110.7	R361 V362 V376 K377	R361-V380 VanDerWaalsContact O-CG2 3.29Å; R361-V380 WeakPolarHBondContact O-CG2 3.47Å; V362-V380 HydrophobicContact CG2-CG1 4.37Å; V376-V380 HydrophobicContact CG1-CB 3.54Å; V376-V380 HydrophobicContact CG1-CG1 3.76Å; V376-V380 HydrophobicContact CG1-CG2 3.89Å; K377-V380 HydrophobicContact CB-CG2 4.12Å; K377-V380 VanDerWaalsContact O-CG2 3.32Å; K377-V380 WeakPolarHBondContact O-CG2 3.48Å
381	D	83.4	Confident	81.2	Confident	41 Å²	41	66.3 Å²	66.3	22%	0.219	34%	0.337	C	S	.	.			trans	-131.9	114.5	176	-175.1	-19.9	0	0	0	109.8	A383 I384 D385	D381-A383 PolarHBondContact O-N 3.03Å; D381-A383 WeakPolarHBondContact OD1-CB 3.4Å; D381-A383 PolarHBondContact OD1-N 3.3Å; D381-I384 HydrophobicContact CB-CB 4.17Å; D381-I384 HydrophobicContact CB-CD1 3.87Å; D381-I384 HydrophobicContact CB-CG1 3.89Å; D381-I384 PolarHBondContact O-N 2.93Å; D381-D385 PolarHBondContact O-N 3.4Å; D381-D385 VanDerWaalsContact O-N 3.07Å
382	P	84.6	Confident	81.6	Confident	103 Å²	103	67.4 Å²	67.4	67%	0.669	34%	0.344	S	S	*	.	H	α-helix	trans	-62	-27	-178.3	27	-35.1	0	0	0	113.1	E386	P382-E386 WeakPolarHBondContact O-CB 3.5Å; P382-E386 PolarHBondContact O-N 3.36Å
383	A	84.6	Confident	81.9	Confident	40 Å²	40	64 Å²	64	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-75.5	-36.7	179.6	0	0	0	0	0	111.7	D381 K387 M481	D381-A383 PolarHBondContact O-N 3.03Å; D381-A383 WeakPolarHBondContact OD1-CB 3.4Å; D381-A383 PolarHBondContact OD1-N 3.3Å; A383-K387 WeakPolarHBondContact O-CG 3.49Å; A383-K387 PolarHBondContact O-N 2.86Å; A383-K387 VanDerWaalsContact O-N 3.16Å; A383-M481 HydrophobicContact CB-CE 3.65Å
384	I	84	Confident	82.2	Confident	1 Å²	1	62 Å²	62	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-44.8	171.6	-61.5	179.5	0	0	0	109.5	D381 E386 K387 K388 M481 E482 V485	D381-I384 HydrophobicContact CB-CB 4.17Å; D381-I384 HydrophobicContact CB-CD1 3.87Å; D381-I384 HydrophobicContact CB-CG1 3.89Å; D381-I384 PolarHBondContact O-N 2.93Å; I384-E386 VanDerWaalsContact C-N 3.34Å; I384-E386 PolarHBondContact O-N 3.13Å; I384-K387 PolarHBondContact O-N 3.11Å; I384-K388 HydrophobicContact CG2-CD 4.02Å; I384-K388 HydrophobicContact CG2-CG 4.17Å; I384-K388 WeakPolarHBondContact O-CB 3.43Å; I384-K388 WeakPolarHBondContact O-CG 3.23Å; I384-K388 PolarHBondContact O-N 3.5Å; I384-M481 HydrophobicContact CD1-CB 4.02Å; I384-M481 HydrophobicContact CG1-CB 3.92Å; I384-M481 HydrophobicContact CG1-CE 3.72Å; I384-M481 HydrophobicContact CG1-SD 4.39Å; I384-E482 HydrophobicContact CD1-CG 4.24Å; I384-E482 HydrophobicContact CG2-CG 4.39Å; I384-V485 HydrophobicContact CD1-CG2 4.01Å
385	D	84.8	Confident	82	Confident	26 Å²	26	64.4 Å²	64.4	14%	0.139	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-40.8	179.9	-69.5	-23.5	0	0	0	112.3	N379 D381 R389	N379-D385 VanDerWaalsContact CA-OD2 3.24Å; N379-D385 WeakPolarHBondContact CA-OD2 3Å; N379-D385 PolarHBondContact N-OD2 3.39Å; D381-D385 PolarHBondContact O-N 3.4Å; D381-D385 VanDerWaalsContact O-N 3.07Å; D385-R389 VanDerWaalsContact O-CB 3.3Å; D385-R389 WeakPolarHBondContact O-CB 3.47Å; D385-R389 PolarHBondContact O-N 3.12Å
386	E	85.6	Confident	82	Confident	92 Å²	92	69.7 Å²	69.7	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-63.7	-45.1	175.8	-170.3	-179.5	174.9	0	0	111.5	P382 I384 R389 R390	P382-E386 WeakPolarHBondContact O-CB 3.5Å; P382-E386 PolarHBondContact O-N 3.36Å; I384-E386 VanDerWaalsContact C-N 3.34Å; I384-E386 PolarHBondContact O-N 3.13Å; E386-R389 PolarHBondContact O-N 2.74Å; E386-R390 WeakPolarHBondContact O-CG 3.43Å; E386-R390 PolarHBondContact O-N 3.27Å; E386-R390 IonicContact OE1-CZ 2.7Å; E386-R390 IonicContact OE1-NE 3.89Å; E386-R390 IonicContact OE1-NH2 3.7Å; E386-R390 PolarHBondContact OE1-NH2 3.48Å
387	K	83.6	Confident	81.8	Confident	45 Å²	45	73.7 Å²	73.7	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-65.9	-42.2	177.4	-69.7	-175.2	-176	-172.3	0	111.9	A383 I384 R389 R390 M391 L474 D477 I478 M481	A383-K387 WeakPolarHBondContact O-CG 3.49Å; A383-K387 PolarHBondContact O-N 2.86Å; A383-K387 VanDerWaalsContact O-N 3.16Å; I384-K387 PolarHBondContact O-N 3.11Å; K387-R389 VanDerWaalsContact C-N 3.33Å; K387-R389 PolarHBondContact O-N 3.36Å; K387-R390 PolarHBondContact O-N 2.62Å; K387-M391 PolarHBondContact O-N 3.44Å; K387-L474 HydrophobicContact CD-CD2 4.46Å; K387-L474 HydrophobicContact CG-CD2 4.29Å; K387-D477 HydrophobicContact CD-CB 4.3Å; K387-D477 IonicContact NZ-OD2 2.6Å; K387-D477 PolarHBondContact NZ-OD2 3.15Å; K387-I478 HydrophobicContact CB-CD1 3.92Å; K387-I478 HydrophobicContact CB-CG1 3.63Å; K387-I478 HydrophobicContact CD-CG1 4.27Å; K387-M481 HydrophobicContact CD-SD 4.02Å; K387-M481 PolarHBondContact NZ-SD 3.32Å
388	K	82.8	Confident	81.6	Confident	53 Å²	53	72.6 Å²	72.6	23%	0.23	38%	0.381	C	S	.	.	H	α-helix	trans	-61.8	-39.3	173.7	-75.5	-172.4	179.1	-172.6	0	111.8	V376 I384 M391 M392 I478 E482	V376-K388 PolarHBondContact O-NZ 3.43Å; I384-K388 HydrophobicContact CG2-CD 4.02Å; I384-K388 HydrophobicContact CG2-CG 4.17Å; I384-K388 WeakPolarHBondContact O-CB 3.43Å; I384-K388 WeakPolarHBondContact O-CG 3.23Å; I384-K388 PolarHBondContact O-N 3.5Å; K388-M391 WeakPolarHBondContact O-CB 3.26Å; K388-M391 PolarHBondContact O-N 3.02Å; K388-M392 PolarHBondContact O-N 3.05Å; K388-I478 HydrophobicContact CG-CD1 4.37Å; K388-I478 HydrophobicContact CG-CG2 4.43Å; K388-E482 WeakPolarHBondContact CE-OE1 3.39Å; K388-E482 IonicContact NZ-OE1 2.86Å; K388-E482 PolarHBondContact NZ-OE1 3.37Å
389	R	84.3	Confident	81.8	Confident	164 Å²	164	72.4 Å²	72.4	62%	0.619	38%	0.378	S	S	*	.	H	α-helix	trans	-64.4	-42.3	175.1	-168.6	-177.6	-60.2	124.3	5.2	112.1	D385 E386 K387 M391 M392 G393	D385-R389 VanDerWaalsContact O-CB 3.3Å; D385-R389 WeakPolarHBondContact O-CB 3.47Å; D385-R389 PolarHBondContact O-N 3.12Å; E386-R389 PolarHBondContact O-N 2.74Å; K387-R389 VanDerWaalsContact C-N 3.33Å; K387-R389 PolarHBondContact O-N 3.36Å; R389-M391 VanDerWaalsContact C-N 3.28Å; R389-M391 PolarHBondContact O-N 3.07Å; R389-M392 PolarHBondContact O-N 2.85Å; R389-G393 PolarHBondContact O-N 3.44Å
390	R	81.6	Confident	81.8	Confident	142 Å²	142	68.7 Å²	68.7	54%	0.536	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-37.2	173	-69.6	178	-169.8	-170.5	4.2	111.6	E386 K387 L394	E386-R390 WeakPolarHBondContact O-CG 3.43Å; E386-R390 PolarHBondContact O-N 3.27Å; E386-R390 IonicContact OE1-CZ 2.7Å; E386-R390 IonicContact OE1-NE 3.89Å; E386-R390 IonicContact OE1-NH2 3.7Å; E386-R390 PolarHBondContact OE1-NH2 3.48Å; K387-R390 PolarHBondContact O-N 2.62Å; R390-L394 PolarHBondContact O-N 2.92Å; R390-L394 VanDerWaalsContact O-N 3.12Å
391	M	78.8	Confident	81.8	Confident	55 Å²	55	67 Å²	67	27%	0.271	35%	0.348	S	S	.	.	H	α-helix	trans	-66.1	-44	175.7	-168.2	64.3	70.1	0	0	112.5	K387 K388 R389 G393 L394 L474 H475 I478	K387-M391 PolarHBondContact O-N 3.44Å; K388-M391 WeakPolarHBondContact O-CB 3.26Å; K388-M391 PolarHBondContact O-N 3.02Å; R389-M391 VanDerWaalsContact C-N 3.28Å; R389-M391 PolarHBondContact O-N 3.07Å; M391-G393 VanDerWaalsContact C-N 3.32Å; M391-G393 PolarHBondContact O-N 3.46Å; M391-L394 WeakPolarHBondContact O-CB 3.3Å; M391-L394 PolarHBondContact O-N 2.69Å; M391-L394 HydrophobicContact SD-CD2 3.74Å; M391-L474 HydrophobicContact CE-CB 3.77Å; M391-H475 HydrophobicContact CE-CB 4.2Å; M391-I478 HydrophobicContact CB-CD1 4.47Å; M391-I478 HydrophobicContact CE-CD1 4.09Å
392	M	80.3	Confident	81.6	Confident	140 Å²	140	65.7 Å²	65.7	69%	0.69	34%	0.343	S	S	*	.	H	α-helix	trans	-60.6	-42.7	176.8	-74.2	-170.8	-77	0	0	111.7	K388 R389 L394 S395	K388-M392 PolarHBondContact O-N 3.05Å; R389-M392 PolarHBondContact O-N 2.85Å; M392-L394 PolarHBondContact O-N 3.43Å; M392-S395 PolarHBondContact O-OG 3.26Å
393	G	79.3	Confident	81.4	Confident	38 Å²	38	66.5 Å²	66.5	39%	0.392	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-8.7	175.6	0	0	0	0	0	114.9	R389 M391 F397	R389-G393 PolarHBondContact O-N 3.44Å; M391-G393 VanDerWaalsContact C-N 3.32Å; M391-G393 PolarHBondContact O-N 3.46Å; G393-F397 WeakPolarHBondContact O-CB 3.3Å; G393-F397 PolarHBondContact O-N 3.04Å
394	L	80.7	Confident	81.1	Confident	19 Å²	19	70.9 Å²	70.9	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-36.4	-179.1	-172.1	64	0	0	0	111.6	R390 M391 M392 D396 F397 L398 F426 L471	R390-L394 PolarHBondContact O-N 2.92Å; R390-L394 VanDerWaalsContact O-N 3.12Å; M391-L394 WeakPolarHBondContact O-CB 3.3Å; M391-L394 PolarHBondContact O-N 2.69Å; M391-L394 HydrophobicContact SD-CD2 3.74Å; M392-L394 PolarHBondContact O-N 3.43Å; L394-D396 PolarHBondContact O-N 3.19Å; L394-F397 HydrophobicContact CD1-CD1 4.34Å; L394-F397 PolarHBondContact O-N 3.47Å; L394-L398 HydrophobicContact CD1-CD1 4.46Å; L394-L398 HydrophobicContact CD1-CD2 4.43Å; L394-L398 HydrophobicContact CD1-CG 4.13Å; L394-L398 HydrophobicContact CD2-CD1 4.27Å; L394-L398 HydrophobicContact CG-CD1 3.82Å; L394-L398 HydrophobicContact CG-CG 3.95Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 WeakPolarHBondContact O-CG 3.34Å; L394-L398 PolarHBondContact O-N 3.45Å; L394-F426 HydrophobicContact CD2-CE1 4.39Å; L394-F426 HydrophobicContact CD2-CZ 4.12Å; L394-L471 HydrophobicContact CD1-CD1 3.56Å
395	S	75.6	Confident	80.6	Confident	67 Å²	67	71.1 Å²	71.1	47%	0.469	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-46.7	-179.2	60	0	0	0	0	112.6	M392 T399	M392-S395 PolarHBondContact O-OG 3.26Å; S395-T399 PolarHBondContact O-N 2.98Å; S395-T399 VanDerWaalsContact O-N 3.12Å; S395-T399 PolarHBondContact O-OG1 3.46Å
396	D	80.9	Confident	80.2	Confident	113 Å²	113	73 Å²	73	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-64.5	-43	174.7	-66.6	-29.7	0	0	0	111.1	L394 T399 D400	L394-D396 PolarHBondContact O-N 3.19Å; D396-T399 WeakPolarHBondContact O-CB 3.38Å; D396-T399 PolarHBondContact O-N 2.98Å; D396-D400 PolarHBondContact O-N 2.81Å
397	F	80.5	Confident	79.7	Confident	89 Å²	89	75.4 Å²	75.4	39%	0.39	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-41.7	178.6	-176.8	-112.1	0	0	0	113	G393 L394 T399 D400 V401 L467 L471	G393-F397 WeakPolarHBondContact O-CB 3.3Å; G393-F397 PolarHBondContact O-N 3.04Å; L394-F397 HydrophobicContact CD1-CD1 4.34Å; L394-F397 PolarHBondContact O-N 3.47Å; F397-T399 VanDerWaalsContact C-N 3.26Å; F397-T399 PolarHBondContact O-N 2.96Å; F397-D400 WeakPolarHBondContact O-CB 3.27Å; F397-D400 PolarHBondContact O-N 3.31Å; F397-D400 VanDerWaalsContact O-N 3.17Å; F397-V401 HydrophobicContact CD1-CG2 4.28Å; F397-V401 HydrophobicContact CE1-CG2 3.99Å; F397-V401 HydrophobicContact CE2-CG2 4.35Å; F397-V401 HydrophobicContact CZ-CG2 4Å; F397-V401 WeakPolarHBondContact O-CG2 2.81Å; F397-V401 PolarHBondContact O-N 3.44Å; F397-L467 HydrophobicContact CD1-CD2 4.25Å; F397-L467 HydrophobicContact CE1-CD2 3.49Å; F397-L467 VanDerWaalsContact CE1-CD2 3.49Å; F397-L467 HydrophobicContact CZ-CD2 4.38Å; F397-L471 HydrophobicContact CE1-CD1 4.33Å
398	L	80.8	Confident	79	Confident	30 Å²	30	79.5 Å²	79.5	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-35.4	175.5	-71.9	173.3	0	0	0	111.1	L394 V401 A402 V418 F426 L467	L394-L398 HydrophobicContact CD1-CD1 4.46Å; L394-L398 HydrophobicContact CD1-CD2 4.43Å; L394-L398 HydrophobicContact CD1-CG 4.13Å; L394-L398 HydrophobicContact CD2-CD1 4.27Å; L394-L398 HydrophobicContact CG-CD1 3.82Å; L394-L398 HydrophobicContact CG-CG 3.95Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 WeakPolarHBondContact O-CG 3.34Å; L394-L398 PolarHBondContact O-N 3.45Å; L398-V401 PolarHBondContact O-N 3.07Å; L398-A402 VanDerWaalsContact O-CB 3.31Å; L398-A402 WeakPolarHBondContact O-CB 3.12Å; L398-A402 PolarHBondContact O-N 3.32Å; L398-V418 HydrophobicContact CD2-CB 4.35Å; L398-V418 HydrophobicContact CD2-CG1 3.78Å; L398-F426 HydrophobicContact CD1-CE1 4.11Å; L398-F426 HydrophobicContact CD2-CD1 3.95Å; L398-F426 HydrophobicContact CD2-CE1 3.85Å; L398-L467 HydrophobicContact CD2-CD1 4.29Å
399	T	81.6	Confident	78.2	Confident	81 Å²	81	77.7 Å²	77.7	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-65.6	-40	174.1	-54.9	0	0	0	0	111.4	S395 D396 F397 A402 R403	S395-T399 PolarHBondContact O-N 2.98Å; S395-T399 VanDerWaalsContact O-N 3.12Å; S395-T399 PolarHBondContact O-OG1 3.46Å; D396-T399 WeakPolarHBondContact O-CB 3.38Å; D396-T399 PolarHBondContact O-N 2.98Å; F397-T399 VanDerWaalsContact C-N 3.26Å; F397-T399 PolarHBondContact O-N 2.96Å; T399-A402 PolarHBondContact O-N 2.9Å; T399-R403 PolarHBondContact O-N 3.27Å
400	D	80.6	Confident	77.2	Confident	60 Å²	60	73.3 Å²	73.3	32%	0.321	36%	0.364	S	S	.	.	H	α-helix	trans	-67.8	-39.7	174.7	-76.8	-11.4	0	0	0	112.8	D396 F397 R403 R404	D396-D400 PolarHBondContact O-N 2.81Å; F397-D400 WeakPolarHBondContact O-CB 3.27Å; F397-D400 PolarHBondContact O-N 3.31Å; F397-D400 VanDerWaalsContact O-N 3.17Å; D400-R403 PolarHBondContact O-N 3.07Å; D400-R403 IonicContact OD1-CZ 3.97Å; D400-R403 VanDerWaalsContact OD1-CZ 3.23Å; D400-R403 IonicContact OD1-NH1 2.8Å; D400-R403 PolarHBondContact OD1-NH1 3.07Å; D400-R403 IonicContact OD1-NH2 2.85Å; D400-R403 PolarHBondContact OD1-NH2 3.36Å; D400-R404 WeakPolarHBondContact O-CG 3.42Å; D400-R404 PolarHBondContact O-N 3.05Å
401	V	78.9	Confident	76.2	Confident	9 Å²	9	72.2 Å²	72.2	6%	0.055	38%	0.378	C	S	.	.	H	α-helix	trans	-65	-44.2	174.2	174.9	0	0	0	0	110.4	F397 L398 R403 R404 E405 L467	F397-V401 HydrophobicContact CD1-CG2 4.28Å; F397-V401 HydrophobicContact CE1-CG2 3.99Å; F397-V401 HydrophobicContact CE2-CG2 4.35Å; F397-V401 HydrophobicContact CZ-CG2 4Å; F397-V401 WeakPolarHBondContact O-CG2 2.81Å; F397-V401 PolarHBondContact O-N 3.44Å; L398-V401 PolarHBondContact O-N 3.07Å; V401-R403 VanDerWaalsContact C-N 3.27Å; V401-R403 PolarHBondContact O-N 3.49Å; V401-R404 PolarHBondContact O-N 3.11Å; V401-R404 VanDerWaalsContact O-N 3.14Å; V401-E405 HydrophobicContact CG1-CG 4.19Å; V401-E405 WeakPolarHBondContact O-CG 3.35Å; V401-E405 PolarHBondContact O-N 3.28Å; V401-L467 HydrophobicContact CG1-CD1 4.03Å; V401-L467 HydrophobicContact CG2-CD1 4.48Å
402	A	80.1	Confident	75.4	Confident	12 Å²	12	77.4 Å²	77.4	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-57.6	-40.8	175.5	0	0	0	0	0	111.6	L398 T399 E405 L406 V418	L398-A402 VanDerWaalsContact O-CB 3.31Å; L398-A402 WeakPolarHBondContact O-CB 3.12Å; L398-A402 PolarHBondContact O-N 3.32Å; T399-A402 PolarHBondContact O-N 2.9Å; A402-E405 PolarHBondContact O-N 2.85Å; A402-L406 WeakPolarHBondContact O-CB 3.49Å; A402-L406 PolarHBondContact O-N 3.44Å; A402-V418 HydrophobicContact CB-CG2 4.01Å
403	R	79.6	Confident	74.6	Confident	121 Å²	121	71.5 Å²	71.5	46%	0.457	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-44.1	175.5	-164.1	-175	-49.8	108.5	8.3	112.2	T399 D400 V401 L406 E407	T399-R403 PolarHBondContact O-N 3.27Å; D400-R403 PolarHBondContact O-N 3.07Å; D400-R403 IonicContact OD1-CZ 3.97Å; D400-R403 VanDerWaalsContact OD1-CZ 3.23Å; D400-R403 IonicContact OD1-NH1 2.8Å; D400-R403 PolarHBondContact OD1-NH1 3.07Å; D400-R403 IonicContact OD1-NH2 2.85Å; D400-R403 PolarHBondContact OD1-NH2 3.36Å; V401-R403 VanDerWaalsContact C-N 3.27Å; V401-R403 PolarHBondContact O-N 3.49Å; R403-L406 WeakPolarHBondContact O-CB 3.45Å; R403-L406 PolarHBondContact O-N 3.4Å; R403-E407 PolarHBondContact O-N 3.03Å
404	R	78.2	Confident	73.9	Confident	131 Å²	131	74.8 Å²	74.8	49%	0.494	38%	0.382	S	S	.	.	H	α-helix	trans	-71.3	-31.7	179.5	-70.7	179.2	-174.1	167.2	5.4	113.4	D400 V401 H408	D400-R404 WeakPolarHBondContact O-CG 3.42Å; D400-R404 PolarHBondContact O-N 3.05Å; V401-R404 PolarHBondContact O-N 3.11Å; V401-R404 VanDerWaalsContact O-N 3.14Å; R404-H408 PolarHBondContact O-ND1 3.33Å
405	E	75.2	Confident	73.5	Confident	7 Å²	7	76.1 Å²	76.1	3%	0.033	39%	0.393	C	S	.	.	H	α-helix	trans	-71.1	-38.7	171.6	-68.7	-64.6	109.7	0	0	110.4	V401 A402 E407 H408 L409 L428 S461 R463	V401-E405 HydrophobicContact CG1-CG 4.19Å; V401-E405 WeakPolarHBondContact O-CG 3.35Å; V401-E405 PolarHBondContact O-N 3.28Å; A402-E405 PolarHBondContact O-N 2.85Å; E405-E407 VanDerWaalsContact C-N 3.26Å; E405-E407 PolarHBondContact O-N 3.46Å; E405-H408 PolarHBondContact O-N 2.8Å; E405-L409 VanDerWaalsContact O-CG 3.31Å; E405-L409 WeakPolarHBondContact O-CG 3.23Å; E405-L409 PolarHBondContact O-N 3.02Å; E405-L409 VanDerWaalsContact O-N 3.07Å; E405-L428 HydrophobicContact CB-CD1 4.15Å; E405-L428 HydrophobicContact CB-CD2 4.34Å; E405-L428 HydrophobicContact CG-CD1 4.22Å; E405-S461 PolarHBondContact OE2-OG 2.59Å; E405-R463 WeakPolarHBondContact OE1-CD 3.41Å; E405-R463 WeakPolarHBondContact OE1-CG 3.42Å; E405-R463 IonicContact OE1-CZ 2.72Å; E405-R463 IonicContact OE1-NE 3.15Å; E405-R463 IonicContact OE1-NH1 3.69Å; E405-R463 PolarHBondContact OE1-NH1 3.17Å
406	L	76.3	Confident	73.3	Confident	64 Å²	64	73.7 Å²	73.7	34%	0.335	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-36.1	175.1	-172.7	68.9	0	0	0	112.7	A402 R403 H408 L409 I413 C416	A402-L406 WeakPolarHBondContact O-CB 3.49Å; A402-L406 PolarHBondContact O-N 3.44Å; R403-L406 WeakPolarHBondContact O-CB 3.45Å; R403-L406 PolarHBondContact O-N 3.4Å; L406-H408 VanDerWaalsContact C-N 3.29Å; L406-H408 PolarHBondContact O-N 3.32Å; L406-L409 PolarHBondContact O-N 2.86Å; L406-I413 HydrophobicContact CD1-CG2 4.26Å; L406-C416 HydrophobicContact CB-CB 4.42Å; L406-C416 HydrophobicContact CD1-CB 4.06Å
407	E	74.2	Confident	73.3	Confident	143 Å²	143	70.8 Å²	70.8	67%	0.668	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.3	175.5	-71.1	170.3	-176.3	0	0	113.9	R403 E405	R403-E407 PolarHBondContact O-N 3.03Å; E405-E407 VanDerWaalsContact C-N 3.26Å; E405-E407 PolarHBondContact O-N 3.46Å
408	H	68.1	Low	73.3	Confident	131 Å²	131	67.6 Å²	67.6	61%	0.606	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-15.2	178	-71.3	83.8	0	0	0	112.9	R404 E405 L406	R404-H408 PolarHBondContact O-ND1 3.33Å; E405-H408 PolarHBondContact O-N 2.8Å; L406-H408 VanDerWaalsContact C-N 3.29Å; L406-H408 PolarHBondContact O-N 3.32Å
409	L	67.6	Low	73.3	Confident	15 Å²	15	69 Å²	69	8%	0.079	36%	0.359	C	S	.	.	S	Bend	trans	-80.8	157	177	-72.6	170.5	0	0	0	111.1	E405 L406 I413 C416 L428 V430 M444 F447	E405-L409 VanDerWaalsContact O-CG 3.31Å; E405-L409 WeakPolarHBondContact O-CG 3.23Å; E405-L409 PolarHBondContact O-N 3.02Å; E405-L409 VanDerWaalsContact O-N 3.07Å; L406-L409 PolarHBondContact O-N 2.86Å; L409-I413 HydrophobicContact CB-CD1 3.96Å; L409-I413 HydrophobicContact CD1-CD1 4.41Å; L409-I413 HydrophobicContact CD1-CG2 4.44Å; L409-I413 HydrophobicContact CD2-CD1 4.07Å; L409-I413 HydrophobicContact CG-CD1 4.37Å; L409-C416 HydrophobicContact CD1-CB 4.35Å; L409-L428 HydrophobicContact CD1-CD2 4.3Å; L409-V430 HydrophobicContact CD1-CG2 4.27Å; L409-M444 HydrophobicContact CD2-CE 3.76Å; L409-F447 HydrophobicContact CD2-CE1 4.46Å; L409-F447 HydrophobicContact CD2-CE2 4.11Å; L409-F447 HydrophobicContact CD2-CZ 3.85Å
410	D	62.9	Low	73.3	Confident	72 Å²	72	68.7 Å²	68.7	39%	0.385	35%	0.349	S	S	.	.			trans	-60.4	139.9	179.2	-170.2	-0.3	0	0	0	111	R412 I413	D410-R412 PolarHBondContact O-N 3.45Å; D410-R412 IonicContact OD1-NE 2.75Å; D410-R412 IonicContact OD2-CZ 3.57Å; D410-R412 IonicContact OD2-NE 3.78Å; D410-R412 PolarHBondContact OD2-NE 3.45Å; D410-R412 IonicContact OD2-NH2 2.79Å; D410-R412 PolarHBondContact OD2-NH2 3.36Å; D410-I413 PolarHBondContact O-N 3.13Å
411	S	61	Low	73.2	Confident	119 Å²	119	68.6 Å²	68.6	83%	0.832	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-11.8	-178.4	59.8	0	0	0	0	116.1
412	R	60.3	Low	72.6	Confident	165 Å²	165	72.6 Å²	72.6	62%	0.623	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.6	178.1	-64.6	-179.6	-78	-179	-1.4	113.4	D410 L433	D410-R412 PolarHBondContact O-N 3.45Å; D410-R412 IonicContact OD1-NE 2.75Å; D410-R412 IonicContact OD2-CZ 3.57Å; D410-R412 IonicContact OD2-NE 3.78Å; D410-R412 PolarHBondContact OD2-NE 3.45Å; D410-R412 IonicContact OD2-NH2 2.79Å; D410-R412 PolarHBondContact OD2-NH2 3.36Å; R412-L433 HydrophobicContact CB-CD2 4.41Å
413	I	65.4	Low	72.2	Confident	15 Å²	15	80.9 Å²	80.9	8%	0.077	42%	0.416	C	S	.	.			trans	-86.7	113.3	179.1	-65.7	164.3	0	0	0	109	L406 L409 D410 S415 V430 L433	L406-I413 HydrophobicContact CD1-CG2 4.26Å; L409-I413 HydrophobicContact CB-CD1 3.96Å; L409-I413 HydrophobicContact CD1-CD1 4.41Å; L409-I413 HydrophobicContact CD1-CG2 4.44Å; L409-I413 HydrophobicContact CD2-CD1 4.07Å; L409-I413 HydrophobicContact CG-CD1 4.37Å; D410-I413 PolarHBondContact O-N 3.13Å; I413-S415 WeakPolarHBondContact CG2-O 3.45Å; I413-V430 HydrophobicContact CD1-CG1 3.91Å; I413-V430 HydrophobicContact CG1-CG1 4.04Å; I413-V430 HydrophobicContact CG2-CG1 3.69Å; I413-L433 HydrophobicContact CG1-CD1 4.09Å
414	S	62.8	Low	72	Confident	107 Å²	107	77.9 Å²	77.9	75%	0.748	41%	0.409	S	S	*	.			trans	-85.6	-19.5	-172.7	58.7	0	0	0	0	114.7
415	S	72.7	Confident	72	Confident	47 Å²	47	71.9 Å²	71.9	33%	0.329	39%	0.387	S	S	.	.			trans	-154.7	148.3	-179.3	59	0	0	0	0	111.3	I413 P431	I413-S415 WeakPolarHBondContact CG2-O 3.45Å; S415-P431 WeakPolarHBondContact O-CD 3.19Å
416	C	72.8	Confident	72.5	Confident	17 Å²	17	71.8 Å²	71.8	12%	0.115	39%	0.387	C	S	.	.			trans	-139.7	133.4	177.6	-172	0	0	0	0	108.8	L406 L409 L428	L406-C416 HydrophobicContact CB-CB 4.42Å; L406-C416 HydrophobicContact CD1-CB 4.06Å; L409-C416 HydrophobicContact CD1-CB 4.35Å; C416-L428 WeakPolarHBondContact SG-CD1 3.48Å; C416-L428 WeakPolarHBondContact SG-CG 3.36Å
417	C	79.5	Confident	72.9	Confident	52 Å²	52	68.7 Å²	68.7	35%	0.351	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.9	178.2	-63.5	0	0	0	0	109.7	I419 S429	C417-I419 HydrophobicContact CB-CG1 4.45Å; C417-S429 PolarHBondContact N-O 3.47Å; C417-S429 WeakPolarHBondContact O-CA 3.36Å; C417-S429 WeakPolarHBondContact O-CB 3.43Å; C417-S429 PolarHBondContact O-N 3.45Å
418	V	81.3	Confident	73.3	Confident	22 Å²	22	61.9 Å²	61.9	13%	0.133	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.2	168.5	-176.4	0	0	0	0	108.4	L398 A402 F426 L427 L428	L398-V418 HydrophobicContact CD2-CB 4.35Å; L398-V418 HydrophobicContact CD2-CG1 3.78Å; A402-V418 HydrophobicContact CB-CG2 4.01Å; V418-F426 HydrophobicContact CG1-CD1 4.25Å; V418-L427 CarbonylContact C-O 3.58Å; V418-L427 WeakPolarHBondContact CA-O 3.25Å; V418-L428 HydrophobicContact CG2-CD1 3.74Å
419	I	81	Confident	74	Confident	60 Å²	60	55.7 Å²	55.7	31%	0.308	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.1	-177.8	-56.3	176	0	0	0	108.4	C417 L421 L427	C417-I419 HydrophobicContact CB-CG1 4.45Å; I419-L421 HydrophobicContact CG2-CG 4.42Å; I419-L427 PolarHBondContact N-O 2.86Å; I419-L427 PolarHBondContact O-N 3.44Å
420	Y	81.1	Confident	74.7	Confident	74 Å²	74	55.2 Å²	55.2	29%	0.29	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.5	170	177.2	-100.5	0	0	0	109.9	P422 F426 G472	Y420-P422 HydrophobicContact CE1-CG 4.5Å; Y420-F426 HydrophobicContact CD2-CD1 4.04Å; Y420-F426 AromaticContact CD2-CD2 3.97Å; Y420-F426 HydrophobicContact CD2-CD2 3.97Å; Y420-F426 AromaticContact CD2-CE1 3.89Å; Y420-F426 HydrophobicContact CD2-CE1 3.89Å; Y420-F426 AromaticContact CD2-CE2 3.83Å; Y420-F426 HydrophobicContact CD2-CE2 3.83Å; Y420-F426 HydrophobicContact CD2-CG 4.08Å; Y420-F426 AromaticContact CD2-CZ 3.78Å; Y420-F426 HydrophobicContact CD2-CZ 3.78Å; Y420-F426 HydrophobicContact CE2-CD2 4.49Å; Y420-F426 HydrophobicContact CE2-CE2 4.21Å; Y420-F426 HydrophobicContact CE2-CZ 4.42Å; Y420-F426 HydrophobicContact CG-CD1 4.46Å; Y420-F426 HydrophobicContact CG-CE1 4.19Å; Y420-F426 HydrophobicContact CG-CZ 4.38Å; Y420-G472 PolarHBondContact OH-O 2.63Å
421	L	78	Confident	75.4	Confident	57 Å²	57	53.2 Å²	53.2	30%	0.298	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.8	171.9	-72.2	175.9	0	0	0	110	I419 L423 I424 G425 L427 F451	I419-L421 HydrophobicContact CG2-CG 4.42Å; L421-L423 PolarHBondContact O-N 3.26Å; L421-I424 HydrophobicContact CB-CB 4.25Å; L421-I424 HydrophobicContact CD1-CD1 4.29Å; L421-I424 PolarHBondContact O-N 3.37Å; L421-I424 VanDerWaalsContact O-N 3.17Å; L421-G425 PolarHBondContact N-O 3.46Å; L421-G425 VanDerWaalsContact N-O 3.1Å; L421-G425 PolarHBondContact O-N 3.12Å; L421-L427 HydrophobicContact CD1-CD1 3.84Å; L421-L427 HydrophobicContact CG-CD1 4.48Å; L421-F451 HydrophobicContact CD1-CE1 4.03Å; L421-F451 HydrophobicContact CD1-CZ 3.54Å
422	P	67.6	Low	76	Confident	93 Å²	93	51.3 Å²	51.3	60%	0.604	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	137.9	173.5	-24.2	33.3	0	0	0	111	Y420 I424	Y420-P422 HydrophobicContact CE1-CG 4.5Å; P422-I424 PolarHBondContact O-N 3.06Å
423	L	69.9	Low	76.5	Confident	186 Å²	186	45 Å²	45	97%	0.974	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-19.1	-176.5	-50.9	168	0	0	0	116.7	L421	L421-L423 PolarHBondContact O-N 3.26Å
424	I	76.4	Confident	76.3	Confident	58 Å²	58	50.5 Å²	50.5	30%	0.297	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-31.4	179.2	-54.1	176.3	0	0	0	112.1	L421 P422 L427 M450 F451 R460	L421-I424 HydrophobicContact CB-CB 4.25Å; L421-I424 HydrophobicContact CD1-CD1 4.29Å; L421-I424 PolarHBondContact O-N 3.37Å; L421-I424 VanDerWaalsContact O-N 3.17Å; P422-I424 PolarHBondContact O-N 3.06Å; I424-L427 HydrophobicContact CG2-CD1 3.82Å; I424-L427 HydrophobicContact CG2-CD2 4.03Å; I424-L427 HydrophobicContact CG2-CG 4.22Å; I424-M450 HydrophobicContact CG2-CE 4.09Å; I424-F451 HydrophobicContact CD1-CE1 4.1Å; I424-R460 PolarHBondContact O-NH2 3.44Å
425	G	78.6	Confident	76	Confident	5 Å²	5	49 Å²	49	5%	0.052	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.3	-161.8	178.8	0	0	0	0	0	113.7	L421 D468	L421-G425 PolarHBondContact N-O 3.46Å; L421-G425 VanDerWaalsContact N-O 3.1Å; L421-G425 PolarHBondContact O-N 3.12Å; G425-D468 WeakPolarHBondContact CA-OD1 3.32Å
426	F	84.7	Confident	75.5	Confident	5 Å²	5	48 Å²	48	2%	0.022	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.9	175.4	-67.7	-83.4	0	0	0	112.2	L394 L398 V418 Y420 T464 L467 D468 L471	L394-F426 HydrophobicContact CD2-CE1 4.39Å; L394-F426 HydrophobicContact CD2-CZ 4.12Å; L398-F426 HydrophobicContact CD1-CE1 4.11Å; L398-F426 HydrophobicContact CD2-CD1 3.95Å; L398-F426 HydrophobicContact CD2-CE1 3.85Å; V418-F426 HydrophobicContact CG1-CD1 4.25Å; Y420-F426 HydrophobicContact CD2-CD1 4.04Å; Y420-F426 AromaticContact CD2-CD2 3.97Å; Y420-F426 HydrophobicContact CD2-CD2 3.97Å; Y420-F426 AromaticContact CD2-CE1 3.89Å; Y420-F426 HydrophobicContact CD2-CE1 3.89Å; Y420-F426 AromaticContact CD2-CE2 3.83Å; Y420-F426 HydrophobicContact CD2-CE2 3.83Å; Y420-F426 HydrophobicContact CD2-CG 4.08Å; Y420-F426 AromaticContact CD2-CZ 3.78Å; Y420-F426 HydrophobicContact CD2-CZ 3.78Å; Y420-F426 HydrophobicContact CE2-CD2 4.49Å; Y420-F426 HydrophobicContact CE2-CE2 4.21Å; Y420-F426 HydrophobicContact CE2-CZ 4.42Å; Y420-F426 HydrophobicContact CG-CD1 4.46Å; Y420-F426 HydrophobicContact CG-CE1 4.19Å; Y420-F426 HydrophobicContact CG-CZ 4.38Å; F426-T464 WeakPolarHBondContact O-CB 3.43Å; F426-T464 PolarHBondContact O-OG1 3.31Å; F426-L467 HydrophobicContact CB-CB 4.44Å; F426-L467 HydrophobicContact CD2-CB 4Å; F426-L467 HydrophobicContact CG-CB 4.23Å; F426-D468 HydrophobicContact CD2-CB 4.41Å; F426-D468 PolarHBondContact N-OD1 3.37Å; F426-L471 HydrophobicContact CE2-CB 4Å; F426-L471 HydrophobicContact CZ-CB 4.27Å
427	L	84.1	Confident	74.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.4	-178	-62.7	172.5	0	0	0	110.9	V418 I419 L421 I424 M450 F451 H458	V418-L427 CarbonylContact C-O 3.58Å; V418-L427 WeakPolarHBondContact CA-O 3.25Å; I419-L427 PolarHBondContact N-O 2.86Å; I419-L427 PolarHBondContact O-N 3.44Å; L421-L427 HydrophobicContact CD1-CD1 3.84Å; L421-L427 HydrophobicContact CG-CD1 4.48Å; I424-L427 HydrophobicContact CG2-CD1 3.82Å; I424-L427 HydrophobicContact CG2-CD2 4.03Å; I424-L427 HydrophobicContact CG2-CG 4.22Å; L427-M450 HydrophobicContact CD2-CB 4.49Å; L427-M450 HydrophobicContact CD2-CG 3.85Å; L427-F451 HydrophobicContact CD1-CE1 3.65Å; L427-F451 HydrophobicContact CD1-CZ 4.05Å; L427-H458 HydrophobicContact CD1-CB 4.32Å
428	L	83.8	Confident	73.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.8	171.4	-162.3	71.2	0	0	0	108.9	E405 L409 C416 V418 V430 F447 H458 Y459 T464	E405-L428 HydrophobicContact CB-CD1 4.15Å; E405-L428 HydrophobicContact CB-CD2 4.34Å; E405-L428 HydrophobicContact CG-CD1 4.22Å; L409-L428 HydrophobicContact CD1-CD2 4.3Å; C416-L428 WeakPolarHBondContact SG-CD1 3.48Å; C416-L428 WeakPolarHBondContact SG-CG 3.36Å; V418-L428 HydrophobicContact CG2-CD1 3.74Å; L428-V430 HydrophobicContact CD2-CG2 4.43Å; L428-V430 HydrophobicContact CG-CG2 4.35Å; L428-F447 HydrophobicContact CD2-CD1 4.18Å; L428-F447 HydrophobicContact CD2-CE1 3.59Å; L428-F447 HydrophobicContact CD2-CZ 4.48Å; L428-H458 WeakPolarHBondContact O-CA 3.32Å; L428-Y459 PolarHBondContact N-O 2.95Å; L428-Y459 PolarHBondContact O-N 3.23Å; L428-T464 HydrophobicContact CB-CG2 4.36Å
429	S	82.1	Confident	72.6	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121	176.7	-174.7	0	0	0	0	110.1	C417 L457	C417-S429 PolarHBondContact N-O 3.47Å; C417-S429 WeakPolarHBondContact O-CA 3.36Å; C417-S429 WeakPolarHBondContact O-CB 3.43Å; C417-S429 PolarHBondContact O-N 3.45Å; S429-L457 WeakPolarHBondContact CA-O 3.45Å
430	V	81.9	Confident	71.5	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.03	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.4	-178.5	178.2	0	0	0	0	108.7	L409 I413 L428 R456 L457 Y459	L409-V430 HydrophobicContact CD1-CG2 4.27Å; I413-V430 HydrophobicContact CD1-CG1 3.91Å; I413-V430 HydrophobicContact CG1-CG1 4.04Å; I413-V430 HydrophobicContact CG2-CG1 3.69Å; L428-V430 HydrophobicContact CD2-CG2 4.43Å; L428-V430 HydrophobicContact CG-CG2 4.35Å; V430-R456 CarbonylContact O-C 3.58Å; V430-R456 WeakPolarHBondContact O-CA 3.27Å; V430-L457 PolarHBondContact N-O 3.06Å; V430-L457 PolarHBondContact O-N 3.22Å; V430-Y459 HydrophobicContact CB-CD2 4.43Å; V430-Y459 HydrophobicContact CB-CE2 4.41Å; V430-Y459 HydrophobicContact CG2-CD2 4.28Å
431	P	78.7	Confident	70.5	Confident	31 Å²	31	66.6 Å²	66.6	20%	0.201	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.4	176.5	27.7	-34.7	0	0	0	111	S415 L433	S415-P431 WeakPolarHBondContact O-CD 3.19Å; P431-L433 PolarHBondContact O-N 3.48Å
432	R	72.6	Confident	69.6	Low	78 Å²	78	64.7 Å²	64.7	29%	0.294	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65.6	126.3	177	-172.3	-173.6	-176.3	148.2	-1.5	110	M436 D455 L457	R432-M436 VanDerWaalsContact CZ-O 3.26Å; R432-M436 PolarHBondContact NE-O 2.78Å; R432-M436 PolarHBondContact NH2-O 3.31Å; R432-D455 WeakPolarHBondContact CB-O 3.37Å; R432-D455 WeakPolarHBondContact CB-OD1 3.46Å; R432-D455 WeakPolarHBondContact CD-OD1 3.34Å; R432-D455 PolarHBondContact N-O 3.43Å; R432-L457 HydrophobicContact CG-CD1 4.43Å
433	L	70.6	Confident	69.2	Low	33 Å²	33	67.9 Å²	67.9	17%	0.173	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-80.2	144	172.9	-71.7	161.8	0	0	0	110	R412 I413 P431 S435 M436	R412-L433 HydrophobicContact CB-CD2 4.41Å; I413-L433 HydrophobicContact CG1-CD1 4.09Å; P431-L433 PolarHBondContact O-N 3.48Å; L433-S435 PolarHBondContact O-N 3.34Å; L433-M436 HydrophobicContact CB-CG 4.32Å; L433-M436 HydrophobicContact CB-SD 4.14Å; L433-M436 HydrophobicContact CD1-CE 4.08Å; L433-M436 HydrophobicContact CD1-SD 4.39Å; L433-M436 PolarHBondContact O-N 3.15Å
434	P	61.7	Low	69	Low	130 Å²	130	61.3 Å²	61.3	84%	0.844	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.9	178.1	-24.6	33.2	0	0	0	114.8
435	S	56.6	Low	68.2	Low	76 Å²	76	68 Å²	68	53%	0.531	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.6	178.2	57.5	0	0	0	0	114.7	L433	L433-S435 PolarHBondContact O-N 3.34Å
436	M	62.6	Low	67.6	Low	27 Å²	27	71 Å²	71	13%	0.133	38%	0.378	C	S	.	.			trans	-101.5	97.6	-176.6	-66.7	172.2	163.9	0	0	109.5	R432 L433 D441 F442 L457	R432-M436 VanDerWaalsContact CZ-O 3.26Å; R432-M436 PolarHBondContact NE-O 2.78Å; R432-M436 PolarHBondContact NH2-O 3.31Å; L433-M436 HydrophobicContact CB-CG 4.32Å; L433-M436 HydrophobicContact CB-SD 4.14Å; L433-M436 HydrophobicContact CD1-CE 4.08Å; L433-M436 HydrophobicContact CD1-SD 4.39Å; L433-M436 PolarHBondContact O-N 3.15Å; M436-D441 HydrophobicContact CB-CB 4.3Å; M436-D441 HydrophobicContact CG-CB 4.39Å; M436-F442 HydrophobicContact CB-CD1 4.11Å; M436-F442 HydrophobicContact CB-CE1 3.75Å; M436-L457 HydrophobicContact SD-CD1 3.73Å
437	V	58.4	Low	67	Low	105 Å²	105	72.6 Å²	72.6	64%	0.636	39%	0.385	S	S	*	.			trans	-116.6	-37	-172.9	-173.8	0	0	0	0	111.8	D441	V437-D441 PolarHBondContact N-OD2 3.33Å
438	E	58.1	Low	66.6	Low	126 Å²	126	76.5 Å²	76.5	59%	0.589	40%	0.403	S	S	*	.	S	Bend	trans	-97.4	164.5	-179.7	-58.1	-160.5	150.6	0	0	112.5	E440 D441 F442	E438-E440 VanDerWaalsContact C-N 3.29Å; E438-E440 PolarHBondContact O-N 3.12Å; E438-D441 PolarHBondContact N-OD2 3.45Å; E438-D441 VanDerWaalsContact N-OD2 3.07Å; E438-D441 WeakPolarHBondContact O-CB 3.41Å; E438-D441 PolarHBondContact O-N 3.3Å; E438-F442 WeakPolarHBondContact O-CD2 3.35Å; E438-F442 VanDerWaalsContact O-CE2 3.28Å; E438-F442 WeakPolarHBondContact O-CE2 3.49Å
439	K	56.5	Low	66.4	Low	173 Å²	173	80 Å²	80	75%	0.752	42%	0.418	S	S	*	.	S	Bend	trans	-70.5	-29.6	-176.4	-79.1	-174.3	178.2	-178.7	0	112.3	D441 F442	K439-D441 VanDerWaalsContact C-N 3.27Å; K439-D441 PolarHBondContact O-N 3.27Å; K439-F442 PolarHBondContact O-N 3.18Å
440	E	56.8	Low	66.2	Low	138 Å²	138	83.1 Å²	83.1	65%	0.645	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-66.9	-27.7	175	-61.9	84.2	-179.9	0	0	112.1	E438 F442 E443	E438-E440 VanDerWaalsContact C-N 3.29Å; E438-E440 PolarHBondContact O-N 3.12Å; E440-F442 PolarHBondContact O-N 2.94Å; E440-E443 PolarHBondContact O-N 3.08Å
441	D	59.9	Low	66.1	Low	72 Å²	72	85.7 Å²	85.7	39%	0.385	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-73.9	-14	177.9	-62	-35.2	0	0	0	113.2	M436 V437 E438 K439	M436-D441 HydrophobicContact CB-CB 4.3Å; M436-D441 HydrophobicContact CG-CB 4.39Å; V437-D441 PolarHBondContact N-OD2 3.33Å; E438-D441 PolarHBondContact N-OD2 3.45Å; E438-D441 VanDerWaalsContact N-OD2 3.07Å; E438-D441 WeakPolarHBondContact O-CB 3.41Å; E438-D441 PolarHBondContact O-N 3.3Å; K439-D441 VanDerWaalsContact C-N 3.27Å; K439-D441 PolarHBondContact O-N 3.27Å
442	F	60.1	Low	66.2	Low	17 Å²	17	87.8 Å²	87.8	8%	0.075	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-87	-14.3	179.4	-57.1	-49.3	0	0	0	112.8	M436 E438 K439 E440 M444 F449 L457 Y459	M436-F442 HydrophobicContact CB-CD1 4.11Å; M436-F442 HydrophobicContact CB-CE1 3.75Å; E438-F442 WeakPolarHBondContact O-CD2 3.35Å; E438-F442 VanDerWaalsContact O-CE2 3.28Å; E438-F442 WeakPolarHBondContact O-CE2 3.49Å; K439-F442 PolarHBondContact O-N 3.18Å; E440-F442 PolarHBondContact O-N 2.94Å; F442-M444 PolarHBondContact O-N 2.97Å; F442-F449 HydrophobicContact CB-CD2 4.3Å; F442-F449 HydrophobicContact CB-CG 4.41Å; F442-L457 HydrophobicContact CD1-CD1 3.7Å; F442-L457 HydrophobicContact CD1-CD2 3.46Å; F442-L457 VanDerWaalsContact CD1-CD2 3.46Å; F442-L457 HydrophobicContact CD1-CG 4.25Å; F442-L457 HydrophobicContact CE1-CD1 4.03Å; F442-L457 HydrophobicContact CE1-CD2 3.69Å; F442-L457 HydrophobicContact CE1-CG 4.46Å; F442-L457 HydrophobicContact CG-CD2 4.02Å; F442-L457 HydrophobicContact CZ-CD2 4.43Å; F442-Y459 WeakPolarHBondContact O-CE1 3.41Å; F442-Y459 PolarHBondContact O-OH 3.16Å
443	E	59.6	Low	66.4	Low	161 Å²	161	86.6 Å²	86.6	75%	0.752	46%	0.457	S	S	*	.			trans	-81.8	107.6	179.1	-66.5	-172.9	171.8	0	0	110.3	E440	E440-E443 PolarHBondContact O-N 3.08Å
444	M	64.4	Low	66.4	Low	48 Å²	48	92.2 Å²	92.2	24%	0.236	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-101.1	138.6	175.1	-64.2	179.8	62.8	0	0	109.9	L409 F442 G446 F447 Y459	L409-M444 HydrophobicContact CD2-CE 3.76Å; F442-M444 PolarHBondContact O-N 2.97Å; M444-G446 PolarHBondContact O-N 3.11Å; M444-G446 VanDerWaalsContact O-N 3.13Å; M444-F447 HydrophobicContact CB-CB 4.12Å; M444-F447 HydrophobicContact CB-CD2 3.98Å; M444-F447 HydrophobicContact CB-CG 4.44Å; M444-F447 HydrophobicContact CE-CD2 4.45Å; M444-F447 PolarHBondContact O-N 2.71Å; M444-Y459 HydrophobicContact SD-CE2 4.37Å
445	E	61.1	Low	66.8	Low	199 Å²	199	90.8 Å²	90.8	93%	0.93	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	120	178.3	-73.2	-170.8	162.4	0	0	111.1
446	G	64.8	Low	67.8	Low	68 Å²	68	91.9 Å²	91.9	70%	0.701	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-1.5	-179.3	0	0	0	0	0	115.9	M444	M444-G446 PolarHBondContact O-N 3.11Å; M444-G446 VanDerWaalsContact O-N 3.13Å
447	F	72.6	Confident	68.5	Low	38 Å²	38	90.6 Å²	90.6	17%	0.167	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-118.5	127	176	-63.8	-91.1	0	0	0	111.1	L409 L428 M444 Y459	L409-F447 HydrophobicContact CD2-CE1 4.46Å; L409-F447 HydrophobicContact CD2-CE2 4.11Å; L409-F447 HydrophobicContact CD2-CZ 3.85Å; L428-F447 HydrophobicContact CD2-CD1 4.18Å; L428-F447 HydrophobicContact CD2-CE1 3.59Å; L428-F447 HydrophobicContact CD2-CZ 4.48Å; M444-F447 HydrophobicContact CB-CB 4.12Å; M444-F447 HydrophobicContact CB-CD2 3.98Å; M444-F447 HydrophobicContact CB-CG 4.44Å; M444-F447 HydrophobicContact CE-CD2 4.45Å; M444-F447 PolarHBondContact O-N 2.71Å; F447-Y459 HydrophobicContact CB-CD1 4Å; F447-Y459 HydrophobicContact CB-CG 4.29Å
448	E	75.9	Confident	69.7	Low	82 Å²	82	86.3 Å²	86.3	38%	0.383	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.2	176.5	179.6	-177.6	-157.7	0	0	109.5	M450 Y459 R460 R465	E448-M450 HydrophobicContact CG-SD 4.49Å; E448-Y459 CarbonylContact O-C 3.52Å; E448-Y459 WeakPolarHBondContact O-CA 3.32Å; E448-R460 HydrophobicContact CB-CB 4.28Å; E448-R460 PolarHBondContact N-O 2.79Å; E448-R460 PolarHBondContact O-N 3.22Å; E448-R460 IonicContact OE2-NH1 2.93Å; E448-R465 IonicContact OE2-CZ 3.98Å; E448-R465 IonicContact OE2-NE 2.67Å; E448-R465 IonicContact OE2-NH2 3.17Å; E448-R465 PolarHBondContact OE2-NH2 3.02Å
449	F	79.3	Confident	70.8	Confident	74 Å²	74	80.4 Å²	80.4	33%	0.325	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.2	177.4	175.6	-104.7	0	0	0	111.3	F442 F451 L452 L457 Y459	F442-F449 HydrophobicContact CB-CD2 4.3Å; F442-F449 HydrophobicContact CB-CG 4.41Å; F449-F451 WeakPolarHBondContact CE2-O 3.45Å; F449-F451 VanDerWaalsContact CZ-C 3.42Å; F449-L452 HydrophobicContact CZ-CB 4.18Å; F449-L457 HydrophobicContact CD2-CD2 4.25Å; F449-L457 HydrophobicContact CE2-CD2 3.53Å; F449-L457 HydrophobicContact CZ-CD2 4.3Å; F449-Y459 HydrophobicContact CB-CD1 4.11Å; F449-Y459 HydrophobicContact CB-CE1 3.84Å; F449-Y459 HydrophobicContact CD2-CD1 4.31Å; F449-Y459 AromaticContact CD2-CE1 3.79Å; F449-Y459 HydrophobicContact CD2-CE1 3.79Å; F449-Y459 HydrophobicContact CG-CE1 4.3Å
450	M	78.9	Confident	72	Confident	65 Å²	65	74.6 Å²	74.6	32%	0.32	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-59.4	179.9	-63.6	-61.8	-59.5	0	0	112.3	I424 L427 E448 H458 R460	I424-M450 HydrophobicContact CG2-CE 4.09Å; L427-M450 HydrophobicContact CD2-CB 4.49Å; L427-M450 HydrophobicContact CD2-CG 3.85Å; E448-M450 HydrophobicContact CG-SD 4.49Å; M450-H458 PolarHBondContact N-O 2.96Å; M450-R460 HydrophobicContact CG-CB 4.42Å
451	F	79.7	Confident	73.2	Confident	59 Å²	59	68.4 Å²	68.4	26%	0.259	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	164.8	180	63.7	-88.2	0	0	0	111.8	L421 I424 L427 F449 H458	L421-F451 HydrophobicContact CD1-CE1 4.03Å; L421-F451 HydrophobicContact CD1-CZ 3.54Å; I424-F451 HydrophobicContact CD1-CE1 4.1Å; L427-F451 HydrophobicContact CD1-CE1 3.65Å; L427-F451 HydrophobicContact CD1-CZ 4.05Å; F449-F451 WeakPolarHBondContact CE2-O 3.45Å; F449-F451 VanDerWaalsContact CZ-C 3.42Å; F451-H458 HydrophobicContact CD1-CB 4.29Å; F451-H458 HydrophobicContact CD2-CB 4.47Å; F451-H458 AromaticContact CD2-CD2 3.59Å; F451-H458 HydrophobicContact CE1-CB 4.02Å; F451-H458 HydrophobicContact CE2-CB 4.21Å; F451-H458 AromaticContact CE2-CD2 3.14Å; F451-H458 WeakPolarHBondContact CE2-CD2 3.44Å; F451-H458 AromaticContact CE2-CG 3.64Å; F451-H458 AromaticContact CE2-NE2 3.55Å; F451-H458 HydrophobicContact CG-CB 4.49Å; F451-H458 HydrophobicContact CZ-CB 3.95Å; F451-H458 AromaticContact CZ-CD2 3.63Å; F451-H458 AromaticContact CZ-CG 3.6Å; F451-H458 WeakPolarHBondContact O-CB 3.27Å; F451-H458 PolarHBondContact O-N 3.48Å
452	L	79.9	Confident	74.2	Confident	75 Å²	75	70 Å²	70	39%	0.393	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.4	173.6	175.6	145.7	0	0	0	109.1	F449 R456 L457	F449-L452 HydrophobicContact CZ-CB 4.18Å; L452-R456 WeakPolarHBondContact CA-O 3.49Å; L452-L457 HydrophobicContact CB-CD2 4.25Å; L452-L457 HydrophobicContact CD1-CD2 3.7Å; L452-L457 HydrophobicContact CD1-CG 4.46Å; L452-L457 HydrophobicContact CG-CD2 4.37Å
453	S	76.5	Confident	75	Confident	52 Å²	52	73.3 Å²	73.3	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.3	177.2	-174.1	0	0	0	0	109.2	D455 R456	S453-D455 VanDerWaalsContact C-N 3.32Å; S453-D455 PolarHBondContact O-N 3.23Å; S453-D455 VanDerWaalsContact O-N 3.15Å; S453-R456 PolarHBondContact N-O 3.35Å; S453-R456 WeakPolarHBondContact O-CA 3.39Å; S453-R456 WeakPolarHBondContact O-CB 3.48Å; S453-R456 PolarHBondContact O-N 3.03Å
454	D	70.2	Confident	75.9	Confident	152 Å²	152	65.7 Å²	65.7	81%	0.813	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	49.6	177.2	-62.8	-16.9	0	0	0	115.2	R456	D454-R456 PolarHBondContact O-N 3.49Å
455	D	70.8	Confident	76.6	Confident	99 Å²	99	68.8 Å²	68.8	53%	0.529	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	23	179.8	-147.8	36.5	0	0	0	114.6	R432 S453	R432-D455 WeakPolarHBondContact CB-O 3.37Å; R432-D455 WeakPolarHBondContact CB-OD1 3.46Å; R432-D455 WeakPolarHBondContact CD-OD1 3.34Å; R432-D455 PolarHBondContact N-O 3.43Å; S453-D455 VanDerWaalsContact C-N 3.32Å; S453-D455 PolarHBondContact O-N 3.23Å; S453-D455 VanDerWaalsContact O-N 3.15Å
456	R	77.3	Confident	77.6	Confident	99 Å²	99	64 Å²	64	37%	0.374	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.3	171.9	-64	176.4	174.5	-116.4	-0.1	110.5	V430 L452 S453 D454	V430-R456 CarbonylContact O-C 3.58Å; V430-R456 WeakPolarHBondContact O-CA 3.27Å; L452-R456 WeakPolarHBondContact CA-O 3.49Å; S453-R456 PolarHBondContact N-O 3.35Å; S453-R456 WeakPolarHBondContact O-CA 3.39Å; S453-R456 WeakPolarHBondContact O-CB 3.48Å; S453-R456 PolarHBondContact O-N 3.03Å; D454-R456 PolarHBondContact O-N 3.49Å
457	L	78.8	Confident	78.3	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.1	176.5	-65.9	161.8	0	0	0	108.6	S429 V430 R432 M436 F442 F449 L452 Y459	S429-L457 WeakPolarHBondContact CA-O 3.45Å; V430-L457 PolarHBondContact N-O 3.06Å; V430-L457 PolarHBondContact O-N 3.22Å; R432-L457 HydrophobicContact CG-CD1 4.43Å; M436-L457 HydrophobicContact SD-CD1 3.73Å; F442-L457 HydrophobicContact CD1-CD1 3.7Å; F442-L457 HydrophobicContact CD1-CD2 3.46Å; F442-L457 VanDerWaalsContact CD1-CD2 3.46Å; F442-L457 HydrophobicContact CD1-CG 4.25Å; F442-L457 HydrophobicContact CE1-CD1 4.03Å; F442-L457 HydrophobicContact CE1-CD2 3.69Å; F442-L457 HydrophobicContact CE1-CG 4.46Å; F442-L457 HydrophobicContact CG-CD2 4.02Å; F442-L457 HydrophobicContact CZ-CD2 4.43Å; F449-L457 HydrophobicContact CD2-CD2 4.25Å; F449-L457 HydrophobicContact CE2-CD2 3.53Å; F449-L457 HydrophobicContact CZ-CD2 4.3Å; L452-L457 HydrophobicContact CB-CD2 4.25Å; L452-L457 HydrophobicContact CD1-CD2 3.7Å; L452-L457 HydrophobicContact CD1-CG 4.46Å; L452-L457 HydrophobicContact CG-CD2 4.37Å; L457-Y459 HydrophobicContact CB-CD2 4.16Å; L457-Y459 HydrophobicContact CB-CE2 3.38Å; L457-Y459 HydrophobicContact CD1-CE2 4.31Å; L457-Y459 HydrophobicContact CG-CE2 4.41Å
458	H	82.5	Confident	78.7	Confident	14 Å²	14	62 Å²	62	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.8	178.8	-62.4	-88.9	0	0	0	110.6	L427 L428 M450 F451	L427-H458 HydrophobicContact CD1-CB 4.32Å; L428-H458 WeakPolarHBondContact O-CA 3.32Å; M450-H458 PolarHBondContact N-O 2.96Å; F451-H458 HydrophobicContact CD1-CB 4.29Å; F451-H458 HydrophobicContact CD2-CB 4.47Å; F451-H458 AromaticContact CD2-CD2 3.59Å; F451-H458 HydrophobicContact CE1-CB 4.02Å; F451-H458 HydrophobicContact CE2-CB 4.21Å; F451-H458 AromaticContact CE2-CD2 3.14Å; F451-H458 WeakPolarHBondContact CE2-CD2 3.44Å; F451-H458 AromaticContact CE2-CG 3.64Å; F451-H458 AromaticContact CE2-NE2 3.55Å; F451-H458 HydrophobicContact CG-CB 4.49Å; F451-H458 HydrophobicContact CZ-CB 3.95Å; F451-H458 AromaticContact CZ-CD2 3.63Å; F451-H458 AromaticContact CZ-CG 3.6Å; F451-H458 WeakPolarHBondContact O-CB 3.27Å; F451-H458 PolarHBondContact O-N 3.48Å
459	Y	81.4	Confident	78.7	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	153.3	-176.1	-66.9	-73.5	0	0	0	112.1	L428 V430 F442 M444 F447 E448 F449 L457	L428-Y459 PolarHBondContact N-O 2.95Å; L428-Y459 PolarHBondContact O-N 3.23Å; V430-Y459 HydrophobicContact CB-CD2 4.43Å; V430-Y459 HydrophobicContact CB-CE2 4.41Å; V430-Y459 HydrophobicContact CG2-CD2 4.28Å; F442-Y459 WeakPolarHBondContact O-CE1 3.41Å; F442-Y459 PolarHBondContact O-OH 3.16Å; M444-Y459 HydrophobicContact SD-CE2 4.37Å; F447-Y459 HydrophobicContact CB-CD1 4Å; F447-Y459 HydrophobicContact CB-CG 4.29Å; E448-Y459 CarbonylContact O-C 3.52Å; E448-Y459 WeakPolarHBondContact O-CA 3.32Å; F449-Y459 HydrophobicContact CB-CD1 4.11Å; F449-Y459 HydrophobicContact CB-CE1 3.84Å; F449-Y459 HydrophobicContact CD2-CD1 4.31Å; F449-Y459 AromaticContact CD2-CE1 3.79Å; F449-Y459 HydrophobicContact CD2-CE1 3.79Å; F449-Y459 HydrophobicContact CG-CE1 4.3Å; L457-Y459 HydrophobicContact CB-CD2 4.16Å; L457-Y459 HydrophobicContact CB-CE2 3.38Å; L457-Y459 HydrophobicContact CD1-CE2 4.31Å; L457-Y459 HydrophobicContact CG-CE2 4.41Å
460	R	81.8	Confident	78.5	Confident	52 Å²	52	65.6 Å²	65.6	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.9	167.5	-171.6	-179.8	-75.6	149.2	-9.9	108.9	I424 E448 M450 R465	I424-R460 PolarHBondContact O-NH2 3.44Å; E448-R460 HydrophobicContact CB-CB 4.28Å; E448-R460 PolarHBondContact N-O 2.79Å; E448-R460 PolarHBondContact O-N 3.22Å; E448-R460 IonicContact OE2-NH1 2.93Å; M450-R460 HydrophobicContact CG-CB 4.42Å; R460-R465 HydrophobicContact CG-CG 3.74Å
461	S	81.8	Confident	78.3	Confident	8 Å²	8	64.1 Å²	64.1	6%	0.056	32%	0.317	C	S	.	.			trans	-91.2	162.4	176.2	176.7	0	0	0	0	110.2	E405 R463 T464 R465	E405-S461 PolarHBondContact OE2-OG 2.59Å; S461-R463 PolarHBondContact O-N 2.77Å; S461-R463 PolarHBondContact OG-N 3.44Å; S461-T464 PolarHBondContact N-OG1 3.45Å; S461-T464 PolarHBondContact O-N 3.14Å; S461-T464 VanDerWaalsContact O-N 3.13Å; S461-T464 PolarHBondContact O-OG1 3.03Å; S461-R465 PolarHBondContact O-N 3.39Å
462	Q	80.4	Confident	77.9	Confident	105 Å²	105	61.5 Å²	61.5	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-55.9	-40.8	170.3	-179.7	59.9	23.5	0	0	111.5	R465 E466	Q462-R465 PolarHBondContact O-N 2.65Å; Q462-E466 PolarHBondContact NE2-OE1 2.97Å; Q462-E466 VanDerWaalsContact NE2-OE1 3.16Å; Q462-E466 WeakPolarHBondContact O-CG 3.14Å; Q462-E466 PolarHBondContact O-N 3.43Å; Q462-E466 VanDerWaalsContact O-N 3.13Å
463	R	77.4	Confident	77.9	Confident	87 Å²	87	63.1 Å²	63.1	33%	0.328	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-35.9	176.1	-66.5	-155.1	-174.3	126.6	-3.7	112.6	E405 S461 R465 E466 L467	E405-R463 WeakPolarHBondContact OE1-CD 3.41Å; E405-R463 WeakPolarHBondContact OE1-CG 3.42Å; E405-R463 IonicContact OE1-CZ 2.72Å; E405-R463 IonicContact OE1-NE 3.15Å; E405-R463 IonicContact OE1-NH1 3.69Å; E405-R463 PolarHBondContact OE1-NH1 3.17Å; S461-R463 PolarHBondContact O-N 2.77Å; S461-R463 PolarHBondContact OG-N 3.44Å; R463-R465 VanDerWaalsContact C-N 3.32Å; R463-R465 PolarHBondContact O-N 2.81Å; R463-E466 PolarHBondContact O-N 3.17Å; R463-L467 VanDerWaalsContact O-CG 3.27Å; R463-L467 WeakPolarHBondContact O-CG 3.45Å; R463-L467 PolarHBondContact O-N 3.01Å
464	T	78	Confident	78	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-71.3	-28.9	177.4	68.6	0	0	0	0	112	F426 L428 S461 L467 D468	F426-T464 WeakPolarHBondContact O-CB 3.43Å; F426-T464 PolarHBondContact O-OG1 3.31Å; L428-T464 HydrophobicContact CB-CG2 4.36Å; S461-T464 PolarHBondContact N-OG1 3.45Å; S461-T464 PolarHBondContact O-N 3.14Å; S461-T464 VanDerWaalsContact O-N 3.13Å; S461-T464 PolarHBondContact O-OG1 3.03Å; T464-L467 PolarHBondContact O-N 3.21Å; T464-D468 WeakPolarHBondContact O-CB 3.28Å; T464-D468 PolarHBondContact O-N 3.35Å
465	R	80.2	Confident	78.4	Confident	114 Å²	114	59 Å²	59	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-39.3	169.4	-70.8	179	-177.8	164.5	-1.1	112.8	E448 R460 S461 Q462 R463 D468 S469	E448-R465 IonicContact OE2-CZ 3.98Å; E448-R465 IonicContact OE2-NE 2.67Å; E448-R465 IonicContact OE2-NH2 3.17Å; E448-R465 PolarHBondContact OE2-NH2 3.02Å; R460-R465 HydrophobicContact CG-CG 3.74Å; S461-R465 PolarHBondContact O-N 3.39Å; Q462-R465 PolarHBondContact O-N 2.65Å; R463-R465 VanDerWaalsContact C-N 3.32Å; R463-R465 PolarHBondContact O-N 2.81Å; R465-D468 PolarHBondContact O-N 3.08Å; R465-S469 PolarHBondContact O-N 2.93Å
466	E	81.1	Confident	78.9	Confident	98 Å²	98	56.4 Å²	56.4	46%	0.458	28%	0.276	S	S	.	.	H	α-helix	trans	-67.4	-38.3	174.8	-71.5	168.2	-166.1	0	0	111.8	Q462 R463 D468 S469 L470	Q462-E466 PolarHBondContact NE2-OE1 2.97Å; Q462-E466 VanDerWaalsContact NE2-OE1 3.16Å; Q462-E466 WeakPolarHBondContact O-CG 3.14Å; Q462-E466 PolarHBondContact O-N 3.43Å; Q462-E466 VanDerWaalsContact O-N 3.13Å; R463-E466 PolarHBondContact O-N 3.17Å; E466-D468 VanDerWaalsContact C-N 3.34Å; E466-S469 PolarHBondContact O-OG 3.37Å; E466-L470 WeakPolarHBondContact O-CB 3.43Å; E466-L470 PolarHBondContact O-N 2.75Å
467	L	79.4	Confident	79.2	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-41.4	172	-71	172.1	0	0	0	111.8	F397 L398 V401 F426 R463 T464 L470 L471 G472	F397-L467 HydrophobicContact CD1-CD2 4.25Å; F397-L467 HydrophobicContact CE1-CD2 3.49Å; F397-L467 VanDerWaalsContact CE1-CD2 3.49Å; F397-L467 HydrophobicContact CZ-CD2 4.38Å; L398-L467 HydrophobicContact CD2-CD1 4.29Å; V401-L467 HydrophobicContact CG1-CD1 4.03Å; V401-L467 HydrophobicContact CG2-CD1 4.48Å; F426-L467 HydrophobicContact CB-CB 4.44Å; F426-L467 HydrophobicContact CD2-CB 4Å; F426-L467 HydrophobicContact CG-CB 4.23Å; R463-L467 VanDerWaalsContact O-CG 3.27Å; R463-L467 WeakPolarHBondContact O-CG 3.45Å; R463-L467 PolarHBondContact O-N 3.01Å; T464-L467 PolarHBondContact O-N 3.21Å; L467-L470 PolarHBondContact O-N 3.33Å; L467-L471 HydrophobicContact CD2-CD1 3.75Å; L467-L471 WeakPolarHBondContact O-CA 3.3Å; L467-L471 VanDerWaalsContact O-CB 3.29Å; L467-L471 WeakPolarHBondContact O-CB 3.49Å; L467-L471 PolarHBondContact O-N 3.32Å; L467-G472 PolarHBondContact O-N 3.26Å
468	D	80.6	Confident	79.4	Confident	52 Å²	52	55.4 Å²	55.4	28%	0.278	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-42.6	179.5	-148.2	39	0	0	0	111.7	G425 F426 T464 R465 E466 L470 G472	G425-D468 WeakPolarHBondContact CA-OD1 3.32Å; F426-D468 HydrophobicContact CD2-CB 4.41Å; F426-D468 PolarHBondContact N-OD1 3.37Å; T464-D468 WeakPolarHBondContact O-CB 3.28Å; T464-D468 PolarHBondContact O-N 3.35Å; R465-D468 PolarHBondContact O-N 3.08Å; E466-D468 VanDerWaalsContact C-N 3.34Å; D468-L470 VanDerWaalsContact C-N 3.34Å; D468-L470 PolarHBondContact O-N 3.47Å; D468-G472 VanDerWaalsContact O-CA 3.28Å; D468-G472 WeakPolarHBondContact O-CA 3.38Å; D468-G472 PolarHBondContact O-N 3.07Å
469	S	77.1	Confident	79.4	Confident	95 Å²	95	60.4 Å²	60.4	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-68.8	-29.3	178.8	69.2	0	0	0	0	114.1	R465 E466	R465-S469 PolarHBondContact O-N 2.93Å; E466-S469 PolarHBondContact O-OG 3.37Å
470	L	75.6	Confident	79.6	Confident	136 Å²	136	64.5 Å²	64.5	71%	0.712	32%	0.318	S	S	*	.	H	α-helix	trans	-92.1	-34.3	-179.5	-88.2	151.1	0	0	0	113.7	E466 L467 D468	E466-L470 WeakPolarHBondContact O-CB 3.43Å; E466-L470 PolarHBondContact O-N 2.75Å; L467-L470 PolarHBondContact O-N 3.33Å; D468-L470 VanDerWaalsContact C-N 3.34Å; D468-L470 PolarHBondContact O-N 3.47Å
471	L	73.9	Confident	79.8	Confident	34 Å²	34	64.1 Å²	64.1	18%	0.178	32%	0.319	C	S	.	.	H	α-helix	trans	-128.6	-14.9	-164.4	-53.7	169.5	0	0	0	113.2	L394 F397 F426 L467 D473 L474	L394-L471 HydrophobicContact CD1-CD1 3.56Å; F397-L471 HydrophobicContact CE1-CD1 4.33Å; F426-L471 HydrophobicContact CE2-CB 4Å; F426-L471 HydrophobicContact CZ-CB 4.27Å; L467-L471 HydrophobicContact CD2-CD1 3.75Å; L467-L471 WeakPolarHBondContact O-CA 3.3Å; L467-L471 VanDerWaalsContact O-CB 3.29Å; L467-L471 WeakPolarHBondContact O-CB 3.49Å; L467-L471 PolarHBondContact O-N 3.32Å; L471-D473 PolarHBondContact O-N 3.45Å; L471-L474 HydrophobicContact CB-CD1 3.99Å; L471-L474 HydrophobicContact CD2-CD1 3.42Å; L471-L474 VanDerWaalsContact CD2-CD1 3.42Å; L471-L474 HydrophobicContact CG-CD1 4.32Å; L471-L474 WeakPolarHBondContact O-CB 3.45Å; L471-L474 PolarHBondContact O-N 2.77Å; L471-L474 VanDerWaalsContact O-N 3.16Å
472	G	72.1	Confident	80	Confident	4 Å²	4	63.9 Å²	63.9	4%	0.041	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.6	-174.1	0	0	0	0	0	113.4	Y420 L467 D468	Y420-G472 PolarHBondContact OH-O 2.63Å; L467-G472 PolarHBondContact O-N 3.26Å; D468-G472 VanDerWaalsContact O-CA 3.28Å; D468-G472 WeakPolarHBondContact O-CA 3.38Å; D468-G472 PolarHBondContact O-N 3.07Å
473	D	79	Confident	80.2	Confident	109 Å²	109	61.5 Å²	61.5	58%	0.583	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.5	-178.4	-67.6	-29	0	0	0	114	L471 H475 C476 D477	L471-D473 PolarHBondContact O-N 3.45Å; D473-H475 PolarHBondContact O-N 2.92Å; D473-H475 VanDerWaalsContact O-N 3.15Å; D473-C476 PolarHBondContact O-N 2.9Å; D473-D477 WeakPolarHBondContact O-CB 3.15Å; D473-D477 PolarHBondContact O-N 3.05Å
474	L	79.6	Confident	80.6	Confident	14 Å²	14	59.6 Å²	59.6	7%	0.073	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-36.5	-174.5	-75.1	174.4	0	0	0	113	K387 M391 L471 I478	K387-L474 HydrophobicContact CD-CD2 4.46Å; K387-L474 HydrophobicContact CG-CD2 4.29Å; M391-L474 HydrophobicContact CE-CB 3.77Å; L471-L474 HydrophobicContact CB-CD1 3.99Å; L471-L474 HydrophobicContact CD2-CD1 3.42Å; L471-L474 VanDerWaalsContact CD2-CD1 3.42Å; L471-L474 HydrophobicContact CG-CD1 4.32Å; L471-L474 WeakPolarHBondContact O-CB 3.45Å; L471-L474 PolarHBondContact O-N 2.77Å; L471-L474 VanDerWaalsContact O-N 3.16Å; L474-I478 WeakPolarHBondContact O-CB 3.19Å; L474-I478 WeakPolarHBondContact O-CD1 3.5Å; L474-I478 WeakPolarHBondContact O-CG1 3.47Å; L474-I478 PolarHBondContact O-N 2.96Å
475	H	77.8	Confident	81	Confident	105 Å²	105	60.4 Å²	60.4	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-70.6	-39	178.6	-168.6	-63.8	0	0	0	112	M391 D473 R479	M391-H475 HydrophobicContact CE-CB 4.2Å; D473-H475 PolarHBondContact O-N 2.92Å; D473-H475 VanDerWaalsContact O-N 3.15Å; H475-R479 WeakPolarHBondContact O-CB 3.33Å; H475-R479 PolarHBondContact O-N 3.41Å; H475-R479 VanDerWaalsContact O-N 3.15Å
476	C	81	Confident	81.2	Confident	44 Å²	44	56.1 Å²	56.1	30%	0.297	30%	0.302	S	S	.	.	H	α-helix	trans	-67.7	-45.1	175.3	-66.3	0	0	0	0	110.6	D473 R479 D480	D473-C476 PolarHBondContact O-N 2.9Å; C476-R479 CarbonylContact O-C 3.55Å; C476-R479 WeakPolarHBondContact O-CA 3.35Å; C476-R479 WeakPolarHBondContact O-CB 3.49Å; C476-R479 PolarHBondContact O-N 2.93Å; C476-R479 VanDerWaalsContact O-N 3.09Å; C476-D480 PolarHBondContact O-N 3.48Å
477	D	83.6	Confident	81.3	Confident	65 Å²	65	54.1 Å²	54.1	35%	0.348	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-49.1	177.3	-93.3	14.8	0	0	0	113	K387 D473 R479 D480 M481	K387-D477 HydrophobicContact CD-CB 4.3Å; K387-D477 IonicContact NZ-OD2 2.6Å; K387-D477 PolarHBondContact NZ-OD2 3.15Å; D473-D477 WeakPolarHBondContact O-CB 3.15Å; D473-D477 PolarHBondContact O-N 3.05Å; D477-R479 PolarHBondContact O-N 3.25Å; D477-D480 PolarHBondContact O-N 2.94Å; D477-M481 WeakPolarHBondContact O-CB 3.22Å; D477-M481 WeakPolarHBondContact O-CG 3.45Å; D477-M481 PolarHBondContact O-N 2.94Å
478	I	84.2	Confident	81.5	Confident	14 Å²	14	60 Å²	60	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-42.6	175.9	-70.2	164.6	0	0	0	108.8	K387 K388 M391 L474 M481 E482	K387-I478 HydrophobicContact CB-CD1 3.92Å; K387-I478 HydrophobicContact CB-CG1 3.63Å; K387-I478 HydrophobicContact CD-CG1 4.27Å; K388-I478 HydrophobicContact CG-CD1 4.37Å; K388-I478 HydrophobicContact CG-CG2 4.43Å; M391-I478 HydrophobicContact CB-CD1 4.47Å; M391-I478 HydrophobicContact CE-CD1 4.09Å; L474-I478 WeakPolarHBondContact O-CB 3.19Å; L474-I478 WeakPolarHBondContact O-CD1 3.5Å; L474-I478 WeakPolarHBondContact O-CG1 3.47Å; L474-I478 PolarHBondContact O-N 2.96Å; I478-M481 PolarHBondContact O-N 3.26Å; I478-E482 HydrophobicContact CG2-CG 4.25Å; I478-E482 WeakPolarHBondContact O-CB 3.5Å; I478-E482 VanDerWaalsContact O-CG 3.28Å; I478-E482 WeakPolarHBondContact O-CG 3.44Å; I478-E482 PolarHBondContact O-N 3.39Å
479	R	82.3	Confident	81.8	Confident	118 Å²	118	57.9 Å²	57.9	45%	0.445	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-46.3	-179.8	175.4	-176.4	80	177.6	3.5	112.7	R373 H475 C476 D477 M481 E482 T483	R373-R479 VanDerWaalsContact CZ-CG 3.47Å; H475-R479 WeakPolarHBondContact O-CB 3.33Å; H475-R479 PolarHBondContact O-N 3.41Å; H475-R479 VanDerWaalsContact O-N 3.15Å; C476-R479 CarbonylContact O-C 3.55Å; C476-R479 WeakPolarHBondContact O-CA 3.35Å; C476-R479 WeakPolarHBondContact O-CB 3.49Å; C476-R479 PolarHBondContact O-N 2.93Å; C476-R479 VanDerWaalsContact O-N 3.09Å; D477-R479 PolarHBondContact O-N 3.25Å; R479-M481 VanDerWaalsContact C-N 3.32Å; R479-E482 PolarHBondContact O-N 3.26Å; R479-T483 WeakPolarHBondContact O-CB 3.29Å; R479-T483 PolarHBondContact O-N 3.36Å; R479-T483 PolarHBondContact O-OG1 2.98Å
480	D	84.7	Confident	82.2	Confident	88 Å²	88	53.5 Å²	53.5	47%	0.471	28%	0.282	S	S	.	.	H	α-helix	trans	-69.3	-36.5	-176.4	-64.4	-9.4	0	0	0	110.2	C476 D477 T483 A484	C476-D480 PolarHBondContact O-N 3.48Å; D477-D480 PolarHBondContact O-N 2.94Å; D480-T483 PolarHBondContact O-N 2.82Å; D480-A484 WeakPolarHBondContact O-CB 3.44Å; D480-A484 PolarHBondContact O-N 3.37Å
481	M	85.3	Confident	82.5	Confident	45 Å²	45	49.9 Å²	49.9	22%	0.222	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-45.7	172.7	-70.1	179.6	73.3	0	0	112.7	A383 I384 K387 D477 I478 R479 T483 A484 V485	A383-M481 HydrophobicContact CB-CE 3.65Å; I384-M481 HydrophobicContact CD1-CB 4.02Å; I384-M481 HydrophobicContact CG1-CB 3.92Å; I384-M481 HydrophobicContact CG1-CE 3.72Å; I384-M481 HydrophobicContact CG1-SD 4.39Å; K387-M481 HydrophobicContact CD-SD 4.02Å; K387-M481 PolarHBondContact NZ-SD 3.32Å; D477-M481 WeakPolarHBondContact O-CB 3.22Å; D477-M481 WeakPolarHBondContact O-CG 3.45Å; D477-M481 PolarHBondContact O-N 2.94Å; I478-M481 PolarHBondContact O-N 3.26Å; R479-M481 VanDerWaalsContact C-N 3.32Å; M481-T483 VanDerWaalsContact C-N 3.28Å; M481-T483 PolarHBondContact O-N 2.86Å; M481-A484 WeakPolarHBondContact O-CB 3.14Å; M481-A484 PolarHBondContact O-N 2.81Å; M481-V485 WeakPolarHBondContact O-CG2 3.3Å; M481-V485 PolarHBondContact O-N 2.98Å
482	E	86.3	Confident	83	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-38	175.2	-74.6	179.6	142.3	0	0	111.7	R373 V376 I384 K388 I478 R479 V485 M486	R373-E482 IonicContact CZ-OE2 3.4Å; R373-E482 VanDerWaalsContact CZ-OE2 3.26Å; R373-E482 IonicContact NH1-OE2 3.68Å; R373-E482 PolarHBondContact NH1-OE2 3.25Å; R373-E482 VanDerWaalsContact NH1-OE2 3.08Å; R373-E482 IonicContact NH2-OE2 3.53Å; R373-E482 PolarHBondContact NH2-OE2 2.84Å; V376-E482 HydrophobicContact CG2-CB 4.35Å; V376-E482 HydrophobicContact CG2-CG 4.04Å; I384-E482 HydrophobicContact CD1-CG 4.24Å; I384-E482 HydrophobicContact CG2-CG 4.39Å; K388-E482 WeakPolarHBondContact CE-OE1 3.39Å; K388-E482 IonicContact NZ-OE1 2.86Å; K388-E482 PolarHBondContact NZ-OE1 3.37Å; I478-E482 HydrophobicContact CG2-CG 4.25Å; I478-E482 WeakPolarHBondContact O-CB 3.5Å; I478-E482 VanDerWaalsContact O-CG 3.28Å; I478-E482 WeakPolarHBondContact O-CG 3.44Å; I478-E482 PolarHBondContact O-N 3.39Å; R479-E482 PolarHBondContact O-N 3.26Å; E482-V485 PolarHBondContact O-N 3.3Å; E482-M486 WeakPolarHBondContact O-CB 3.49Å; E482-M486 PolarHBondContact O-N 3.25Å
483	T	84.3	Confident	83.6	Confident	56 Å²	56	49.2 Å²	49.2	34%	0.344	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-41.9	175	-53.5	0	0	0	0	110.4	R479 D480 M481 V485 M486 T487	R479-T483 WeakPolarHBondContact O-CB 3.29Å; R479-T483 PolarHBondContact O-N 3.36Å; R479-T483 PolarHBondContact O-OG1 2.98Å; D480-T483 PolarHBondContact O-N 2.82Å; M481-T483 VanDerWaalsContact C-N 3.28Å; M481-T483 PolarHBondContact O-N 2.86Å; T483-V485 PolarHBondContact O-N 3.46Å; T483-M486 HydrophobicContact CG2-CE 4.13Å; T483-M486 WeakPolarHBondContact O-CB 3.13Å; T483-M486 PolarHBondContact O-N 2.73Å; T483-T487 PolarHBondContact O-N 3.43Å; T483-T487 PolarHBondContact O-OG1 2.94Å
484	A	85.8	Confident	83.8	Confident	47 Å²	47	45 Å²	45	39%	0.388	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-42.7	175.5	0	0	0	0	0	112.3	D480 M481 M486 T487 Q488	D480-A484 WeakPolarHBondContact O-CB 3.44Å; D480-A484 PolarHBondContact O-N 3.37Å; M481-A484 WeakPolarHBondContact O-CB 3.14Å; M481-A484 PolarHBondContact O-N 2.81Å; A484-M486 VanDerWaalsContact C-N 3.33Å; A484-T487 PolarHBondContact O-N 2.89Å; A484-Q488 WeakPolarHBondContact O-CG 3.41Å; A484-Q488 PolarHBondContact O-N 3.15Å
485	V	86.3	Confident	83.9	Confident	17 Å²	17	51 Å²	51	10%	0.103	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-41.1	173.8	173.2	0	0	0	0	110.8	V362 V376 I384 M481 E482 T483 Q488 L489	V362-V485 HydrophobicContact CG1-CG1 3.76Å; V376-V485 HydrophobicContact CG1-CG1 4.49Å; V376-V485 HydrophobicContact CG2-CB 4.14Å; V376-V485 HydrophobicContact CG2-CG1 3.86Å; I384-V485 HydrophobicContact CD1-CG2 4.01Å; M481-V485 WeakPolarHBondContact O-CG2 3.3Å; M481-V485 PolarHBondContact O-N 2.98Å; E482-V485 PolarHBondContact O-N 3.3Å; T483-V485 PolarHBondContact O-N 3.46Å; V485-Q488 PolarHBondContact O-N 2.95Å; V485-L489 WeakPolarHBondContact O-CB 3.31Å; V485-L489 PolarHBondContact O-N 2.98Å
486	M	84.8	Confident	84.1	Confident	23 Å²	23	49 Å²	49	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-46.6	174.6	-174.1	-171.8	70.7	0	0	111.4	W314 F374 E482 T483 A484 Q488 L489 Q490	W314-M486 HydrophobicContact CZ2-CG 4.06Å; F374-M486 HydrophobicContact CB-SD 4.1Å; F374-M486 HydrophobicContact CD1-CB 3.78Å; F374-M486 HydrophobicContact CD1-CG 4.1Å; F374-M486 HydrophobicContact CD1-SD 4.4Å; F374-M486 HydrophobicContact CD2-CG 4.12Å; F374-M486 HydrophobicContact CD2-SD 4.32Å; F374-M486 HydrophobicContact CE1-CB 3.65Å; F374-M486 HydrophobicContact CE1-CG 4.14Å; F374-M486 HydrophobicContact CE2-CG 4.14Å; F374-M486 HydrophobicContact CG-CB 4.28Å; F374-M486 HydrophobicContact CG-CG 4.08Å; F374-M486 HydrophobicContact CG-SD 4.03Å; F374-M486 HydrophobicContact CZ-CB 4.04Å; F374-M486 HydrophobicContact CZ-CG 4.16Å; E482-M486 WeakPolarHBondContact O-CB 3.49Å; E482-M486 PolarHBondContact O-N 3.25Å; T483-M486 HydrophobicContact CG2-CE 4.13Å; T483-M486 WeakPolarHBondContact O-CB 3.13Å; T483-M486 PolarHBondContact O-N 2.73Å; A484-M486 VanDerWaalsContact C-N 3.33Å; M486-Q488 VanDerWaalsContact C-N 3.34Å; M486-Q488 PolarHBondContact O-N 2.7Å; M486-L489 WeakPolarHBondContact O-CB 3.49Å; M486-L489 PolarHBondContact O-N 3.16Å; M486-Q490 VanDerWaalsContact O-CG 3.31Å; M486-Q490 WeakPolarHBondContact O-CG 3.26Å; M486-Q490 PolarHBondContact O-N 3.43Å
487	T	83.4	Confident	84.1	Confident	57 Å²	57	47 Å²	47	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-65.4	-36.3	179.4	-41.3	0	0	0	0	112.2	T483 A484 Q490 S491	T483-T487 PolarHBondContact O-N 3.43Å; T483-T487 PolarHBondContact O-OG1 2.94Å; A484-T487 PolarHBondContact O-N 2.89Å; T487-Q490 PolarHBondContact O-N 2.89Å; T487-S491 PolarHBondContact O-N 3.24Å; T487-S491 PolarHBondContact O-OG 2.71Å
488	Q	84.9	Confident	83.9	Confident	136 Å²	136	46.2 Å²	46.2	64%	0.636	24%	0.244	S	C	*	.	H	α-helix	trans	-64.1	-44	172.5	-71.8	175.8	11.8	0	0	111.5	A484 V485 M486 S491 A492	A484-Q488 WeakPolarHBondContact O-CG 3.41Å; A484-Q488 PolarHBondContact O-N 3.15Å; V485-Q488 PolarHBondContact O-N 2.95Å; M486-Q488 VanDerWaalsContact C-N 3.34Å; M486-Q488 PolarHBondContact O-N 2.7Å; Q488-S491 PolarHBondContact O-N 3.45Å; Q488-A492 PolarHBondContact O-N 3.28Å; Q488-A492 VanDerWaalsContact O-N 3.08Å
489	L	85.5	Confident	83.8	Confident	7 Å²	7	47 Å²	47	4%	0.037	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-44	175.6	-179.3	65.3	0	0	0	111.6	W314 L358 V362 V363 F374 V485 M486 S491 A492 V493	W314-L489 HydrophobicContact CE3-CD2 4.08Å; W314-L489 HydrophobicContact CH2-CB 4.32Å; W314-L489 HydrophobicContact CH2-CD2 3.7Å; W314-L489 HydrophobicContact CH2-CG 3.72Å; W314-L489 HydrophobicContact CZ2-CD2 4.36Å; W314-L489 HydrophobicContact CZ3-CD2 3.55Å; W314-L489 HydrophobicContact CZ3-CG 3.76Å; L358-L489 HydrophobicContact CD2-CD1 3.6Å; L358-L489 HydrophobicContact CG-CD1 3.56Å; V362-L489 HydrophobicContact CB-CD2 4.32Å; V362-L489 HydrophobicContact CG1-CD2 4.07Å; V363-L489 HydrophobicContact CG2-CD2 3.76Å; F374-L489 HydrophobicContact CE2-CD2 4.29Å; F374-L489 HydrophobicContact CZ-CD2 4.09Å; V485-L489 WeakPolarHBondContact O-CB 3.31Å; V485-L489 PolarHBondContact O-N 2.98Å; M486-L489 WeakPolarHBondContact O-CB 3.49Å; M486-L489 PolarHBondContact O-N 3.16Å; L489-S491 VanDerWaalsContact C-N 3.33Å; L489-S491 PolarHBondContact O-N 3.09Å; L489-A492 PolarHBondContact O-N 3.17Å; L489-V493 WeakPolarHBondContact O-CG2 3.37Å; L489-V493 PolarHBondContact O-N 3.19Å
490	Q	84.9	Confident	83.8	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-47	175.3	-73.2	170.2	-16.4	0	0	111	M304 T309 W314 M486 T487 A492 V493 L494	M304-Q490 HydrophobicContact CG-CG 4.43Å; T309-Q490 VanDerWaalsContact CG2-NE2 3.28Å; T309-Q490 PolarHBondContact OG1-NE2 3.26Å; W314-Q490 HydrophobicContact CH2-CG 3.7Å; W314-Q490 HydrophobicContact CZ2-CG 3.51Å; M486-Q490 VanDerWaalsContact O-CG 3.31Å; M486-Q490 WeakPolarHBondContact O-CG 3.26Å; M486-Q490 PolarHBondContact O-N 3.43Å; T487-Q490 PolarHBondContact O-N 2.89Å; Q490-A492 PolarHBondContact O-N 3.42Å; Q490-V493 PolarHBondContact O-N 3.2Å; Q490-L494 WeakPolarHBondContact O-CB 3.43Å; Q490-L494 VanDerWaalsContact O-CG 3.27Å; Q490-L494 WeakPolarHBondContact O-CG 3.03Å; Q490-L494 PolarHBondContact O-N 3.47Å
491	S	82.8	Confident	83.7	Confident	60 Å²	60	37.6 Å²	37.6	42%	0.42	21%	0.209	S	C	.	.	H	α-helix	trans	-59.3	-45.8	179.3	-56.9	0	0	0	0	111.5	T487 Q488 L489 V493 L494 E495	T487-S491 PolarHBondContact O-N 3.24Å; T487-S491 PolarHBondContact O-OG 2.71Å; Q488-S491 PolarHBondContact O-N 3.45Å; L489-S491 VanDerWaalsContact C-N 3.33Å; L489-S491 PolarHBondContact O-N 3.09Å; S491-V493 VanDerWaalsContact C-N 3.33Å; S491-V493 PolarHBondContact O-N 3.44Å; S491-L494 PolarHBondContact O-N 3.01Å; S491-E495 WeakPolarHBondContact O-CG 3.27Å; S491-E495 PolarHBondContact O-N 2.78Å
492	A	84.8	Confident	83.6	Confident	23 Å²	23	40.3 Å²	40.3	19%	0.19	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-34.4	177.9	0	0	0	0	0	113.4	L358 Q488 L489 Q490	L358-A492 HydrophobicContact CD2-CB 3.94Å; Q488-A492 PolarHBondContact O-N 3.28Å; Q488-A492 VanDerWaalsContact O-N 3.08Å; L489-A492 PolarHBondContact O-N 3.17Å; Q490-A492 PolarHBondContact O-N 3.42Å
493	V	85.3	Confident	83.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-72.6	-41.4	174.8	173.1	0	0	0	0	111.1	L301 M304 W314 L317 V355 L489 Q490 S491 E495 K496 S497 L500	L301-V493 HydrophobicContact CD2-CG1 4.2Å; M304-V493 HydrophobicContact SD-CG1 4.05Å; W314-V493 HydrophobicContact CZ3-CG2 4.38Å; L317-V493 HydrophobicContact CD2-CG1 3.98Å; V355-V493 HydrophobicContact CG1-CG2 4.26Å; L489-V493 WeakPolarHBondContact O-CG2 3.37Å; L489-V493 PolarHBondContact O-N 3.19Å; Q490-V493 PolarHBondContact O-N 3.2Å; S491-V493 VanDerWaalsContact C-N 3.33Å; S491-V493 PolarHBondContact O-N 3.44Å; V493-E495 VanDerWaalsContact C-N 3.31Å; V493-E495 PolarHBondContact O-N 3.27Å; V493-K496 CarbonylContact O-C 3.59Å; V493-K496 PolarHBondContact O-N 3.05Å; V493-S497 PolarHBondContact O-N 2.95Å; V493-S497 VanDerWaalsContact O-N 3.16Å; V493-L500 HydrophobicContact CG1-CD1 4.33Å
494	L	81.6	Confident	83.5	Confident	20 Å²	20	38.1 Å²	38.1	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-33.9	179.7	-72.4	171.8	0	0	0	112.2	L301 M304 Q490 S491 K496 S497	L301-L494 HydrophobicContact CD2-CD2 4.47Å; M304-L494 HydrophobicContact CB-CD2 4.24Å; Q490-L494 WeakPolarHBondContact O-CB 3.43Å; Q490-L494 VanDerWaalsContact O-CG 3.27Å; Q490-L494 WeakPolarHBondContact O-CG 3.03Å; Q490-L494 PolarHBondContact O-N 3.47Å; S491-L494 PolarHBondContact O-N 3.01Å; L494-K496 PolarHBondContact O-N 3.19Å; L494-S497 VanDerWaalsContact O-CB 3.31Å; L494-S497 WeakPolarHBondContact O-CB 3.32Å; L494-S497 PolarHBondContact O-N 2.87Å; L494-S497 PolarHBondContact O-OG 3.47Å
495	E	82.3	Confident	83.5	Confident	140 Å²	140	39.7 Å²	39.7	65%	0.654	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.3	171.5	-75.1	179.6	-178	0	0	113.1	S491 V493	S491-E495 WeakPolarHBondContact O-CG 3.27Å; S491-E495 PolarHBondContact O-N 2.78Å; V493-E495 VanDerWaalsContact C-N 3.31Å; V493-E495 PolarHBondContact O-N 3.27Å
496	K	82.6	Confident	83.6	Confident	65 Å²	65	39.5 Å²	39.5	28%	0.283	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	6.3	-176.7	-61.7	-62.7	-175.7	161	0	114.4	D351 V355 V493 L494 N498 S499 L500	D351-K496 HydrophobicContact CB-CD 4.45Å; D351-K496 WeakPolarHBondContact OD1-CE 3.15Å; D351-K496 IonicContact OD1-NZ 3.08Å; D351-K496 PolarHBondContact OD1-NZ 3.38Å; D351-K496 IonicContact OD2-NZ 2.68Å; V355-K496 HydrophobicContact CG2-CB 4.15Å; V493-K496 CarbonylContact O-C 3.59Å; V493-K496 PolarHBondContact O-N 3.05Å; L494-K496 PolarHBondContact O-N 3.19Å; K496-N498 VanDerWaalsContact C-N 3.34Å; K496-N498 PolarHBondContact O-N 3.47Å; K496-S499 WeakPolarHBondContact O-CB 3.31Å; K496-S499 PolarHBondContact O-N 3.27Å; K496-S499 VanDerWaalsContact O-N 3.16Å; K496-L500 PolarHBondContact O-N 3.38Å
497	S	80.4	Confident	83.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55	-39.5	178	54.1	0	0	0	0	114.5	F133 V493 L494 S499 L500 Y501	F133-S497 WeakPolarHBondContact CD1-OG 3.37Å; F133-S497 WeakPolarHBondContact CE1-OG 2.98Å; V493-S497 PolarHBondContact O-N 2.95Å; V493-S497 VanDerWaalsContact O-N 3.16Å; L494-S497 VanDerWaalsContact O-CB 3.31Å; L494-S497 WeakPolarHBondContact O-CB 3.32Å; L494-S497 PolarHBondContact O-N 2.87Å; L494-S497 PolarHBondContact O-OG 3.47Å; S497-S499 VanDerWaalsContact C-N 3.27Å; S497-S499 PolarHBondContact O-N 2.89Å; S497-L500 WeakPolarHBondContact O-CA 3.24Å; S497-L500 WeakPolarHBondContact O-CB 3.28Å; S497-L500 PolarHBondContact O-N 3.33Å; S497-Y501 VanDerWaalsContact O-CD2 3.24Å; S497-Y501 WeakPolarHBondContact O-CD2 3.42Å; S497-Y501 PolarHBondContact O-N 2.92Å
498	N	79.1	Confident	84.1	Confident	50 Å²	50	36.2 Å²	36.2	27%	0.267	19%	0.189	S	C	.	.	H	α-helix	trans	-56.9	-41.7	177.1	-77.8	-33.8	0	0	0	111.9	K496 Y501 Q502	K496-N498 VanDerWaalsContact C-N 3.34Å; K496-N498 PolarHBondContact O-N 3.47Å; N498-Y501 PolarHBondContact O-N 2.92Å; N498-Q502 WeakPolarHBondContact O-CG 3.1Å; N498-Q502 PolarHBondContact O-N 3.49Å; N498-Q502 VanDerWaalsContact O-N 3.11Å
499	S	82.5	Confident	84.4	Confident	30 Å²	30	31.3 Å²	31.3	21%	0.21	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-38.9	175.3	-54.2	0	0	0	0	111.2	D351 K496 S497 Q502 V503	D351-S499 PolarHBondContact OD2-OG 3.33Å; K496-S499 WeakPolarHBondContact O-CB 3.31Å; K496-S499 PolarHBondContact O-N 3.27Å; K496-S499 VanDerWaalsContact O-N 3.16Å; S497-S499 VanDerWaalsContact C-N 3.27Å; S497-S499 PolarHBondContact O-N 2.89Å; S499-Q502 PolarHBondContact O-N 3.36Å; S499-V503 WeakPolarHBondContact O-CG2 3.49Å; S499-V503 PolarHBondContact O-N 3.39Å; S499-V503 VanDerWaalsContact O-N 3.12Å
500	L	82.3	Confident	84.7	Confident	4 Å²	4	31 Å²	31	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-45	176.2	-65.7	175.8	0	0	0	111.9	L301 L317 V321 L352 V493 K496 S497 V503 L504	L301-L500 HydrophobicContact CD2-CD1 4.16Å; L317-L500 HydrophobicContact CD1-CD1 4.38Å; V321-L500 HydrophobicContact CG2-CD2 4.02Å; L352-L500 HydrophobicContact CD2-CD2 3.83Å; L352-L500 HydrophobicContact CG-CD2 4.33Å; V493-L500 HydrophobicContact CG1-CD1 4.33Å; K496-L500 PolarHBondContact O-N 3.38Å; S497-L500 WeakPolarHBondContact O-CA 3.24Å; S497-L500 WeakPolarHBondContact O-CB 3.28Å; S497-L500 PolarHBondContact O-N 3.33Å; L500-V503 PolarHBondContact O-N 3.48Å; L500-L504 WeakPolarHBondContact O-CG 3.46Å; L500-L504 PolarHBondContact O-N 3.37Å
501	Y	82.1	Confident	85.1	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-44.1	177.4	-79.2	-76.9	0	0	0	113	D52 L188 Q189 P298 L301 S497 N498 V503 L504 D505	D52-Y501 PolarHBondContact O-OH 2.82Å; L188-Y501 HydrophobicContact CB-CE2 4.07Å; L188-Y501 HydrophobicContact CD1-CE2 4.36Å; L188-Y501 WeakPolarHBondContact CD1-OH 3.45Å; Q189-Y501 HydrophobicContact CG-CD1 4.49Å; Q189-Y501 HydrophobicContact CG-CD2 4.14Å; Q189-Y501 HydrophobicContact CG-CE2 4.45Å; Q189-Y501 HydrophobicContact CG-CG 4.19Å; P298-Y501 HydrophobicContact CB-CE1 3.8Å; P298-Y501 HydrophobicContact CG-CD1 4.33Å; P298-Y501 HydrophobicContact CG-CE1 3.62Å; L301-Y501 HydrophobicContact CD1-CD2 4.18Å; L301-Y501 HydrophobicContact CD1-CE2 3.57Å; S497-Y501 VanDerWaalsContact O-CD2 3.24Å; S497-Y501 WeakPolarHBondContact O-CD2 3.42Å; S497-Y501 PolarHBondContact O-N 2.92Å; N498-Y501 PolarHBondContact O-N 2.92Å; Y501-V503 PolarHBondContact O-N 2.88Å; Y501-L504 HydrophobicContact CD1-CD1 4.44Å; Y501-L504 WeakPolarHBondContact O-CB 3.34Å; Y501-L504 PolarHBondContact O-N 2.95Å; Y501-L504 VanDerWaalsContact O-N 3.08Å; Y501-D505 PolarHBondContact O-N 3.29Å
502	Q	83.2	Confident	85.6	Confident	103 Å²	103	28 Å²	28	48%	0.481	14%	0.144	S	C	.	.	H	α-helix	trans	-58.6	-37.6	177	-72.4	177.1	15.2	0	0	111.8	N498 S499 L506	N498-Q502 WeakPolarHBondContact O-CG 3.1Å; N498-Q502 PolarHBondContact O-N 3.49Å; N498-Q502 VanDerWaalsContact O-N 3.11Å; S499-Q502 PolarHBondContact O-N 3.36Å; Q502-L506 WeakPolarHBondContact O-CG 3.32Å; Q502-L506 PolarHBondContact O-N 2.97Å
503	V	84.6	Confident	86	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.024	14%	0.135	C	C	.	.	H	α-helix	trans	-69.2	-40.9	175.8	170.4	0	0	0	0	111.6	A324 L348 L352 S499 L500 Y501 D505 L506 L507	A324-V503 HydrophobicContact CB-CG1 4.16Å; L348-V503 HydrophobicContact CD1-CG1 4.16Å; L348-V503 HydrophobicContact CD1-CG2 4.41Å; L348-V503 HydrophobicContact CD2-CG1 3.8Å; L348-V503 HydrophobicContact CD2-CG2 4.31Å; L348-V503 HydrophobicContact CG-CB 4.5Å; L348-V503 HydrophobicContact CG-CG1 3.91Å; L348-V503 HydrophobicContact CG-CG2 3.74Å; L352-V503 HydrophobicContact CD1-CG2 3.68Å; L352-V503 HydrophobicContact CD2-CB 4.39Å; L352-V503 HydrophobicContact CD2-CG1 4.13Å; L352-V503 HydrophobicContact CD2-CG2 4.25Å; S499-V503 WeakPolarHBondContact O-CG2 3.49Å; S499-V503 PolarHBondContact O-N 3.39Å; S499-V503 VanDerWaalsContact O-N 3.12Å; L500-V503 PolarHBondContact O-N 3.48Å; Y501-V503 PolarHBondContact O-N 2.88Å; V503-D505 VanDerWaalsContact C-N 3.32Å; V503-D505 PolarHBondContact O-N 3.46Å; V503-L506 PolarHBondContact O-N 2.91Å; V503-L507 HydrophobicContact CG1-CD1 3.56Å; V503-L507 HydrophobicContact CG1-CG 4.05Å; V503-L507 WeakPolarHBondContact O-CB 3.37Å; V503-L507 WeakPolarHBondContact O-CG 3.48Å; V503-L507 PolarHBondContact O-N 3.33Å
504	L	84.5	Confident	86.3	Confident	8 Å²	8	26.9 Å²	26.9	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-43.5	174.6	-71.2	167.7	0	0	0	112.1	I294 I297 P298 L500 Y501 L506 L507 A508	I294-L504 HydrophobicContact CG2-CD2 4.09Å; I297-L504 HydrophobicContact CB-CD1 3.65Å; I297-L504 HydrophobicContact CB-CD2 4.39Å; I297-L504 HydrophobicContact CD1-CD1 3.92Å; I297-L504 HydrophobicContact CD1-CD2 3.59Å; I297-L504 HydrophobicContact CD1-CG 3.92Å; I297-L504 HydrophobicContact CG1-CD1 4.15Å; I297-L504 HydrophobicContact CG1-CD2 4Å; I297-L504 HydrophobicContact CG2-CD1 4.07Å; P298-L504 HydrophobicContact CG-CD1 4.2Å; L500-L504 WeakPolarHBondContact O-CG 3.46Å; L500-L504 PolarHBondContact O-N 3.37Å; Y501-L504 HydrophobicContact CD1-CD1 4.44Å; Y501-L504 WeakPolarHBondContact O-CB 3.34Å; Y501-L504 PolarHBondContact O-N 2.95Å; Y501-L504 VanDerWaalsContact O-N 3.08Å; L504-L506 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 3.44Å; L504-L507 PolarHBondContact O-N 3.02Å; L504-A508 VanDerWaalsContact O-CB 3.25Å; L504-A508 WeakPolarHBondContact O-CB 3.14Å; L504-A508 PolarHBondContact O-N 3Å
505	D	86	Confident	86.8	Confident	79 Å²	79	25.9 Å²	25.9	42%	0.422	13%	0.13	S	C	.	.	H	α-helix	trans	-61.5	-43.7	178.8	-68.6	-24.4	0	0	0	111.2	Y501 V503 A508 E509	Y501-D505 PolarHBondContact O-N 3.29Å; V503-D505 VanDerWaalsContact C-N 3.32Å; V503-D505 PolarHBondContact O-N 3.46Å; D505-A508 PolarHBondContact O-N 3.31Å; D505-E509 PolarHBondContact O-N 3.3Å
506	L	88.3	Confident	87.3	Confident	13 Å²	13	19.2 Å²	19.2	7%	0.068	10%	0.098	C	C	.	.	H	α-helix	trans	-67.9	-40	176.9	-69.4	171.6	0	0	0	112.7	I344 K347 Q502 V503 L504 A508 E509 L510	I344-L506 HydrophobicContact CG1-CB 4.08Å; I344-L506 HydrophobicContact CG1-CD1 4.46Å; K347-L506 HydrophobicContact CB-CD1 4.13Å; K347-L506 HydrophobicContact CD-CD1 3.91Å; Q502-L506 WeakPolarHBondContact O-CG 3.32Å; Q502-L506 PolarHBondContact O-N 2.97Å; V503-L506 PolarHBondContact O-N 2.91Å; L504-L506 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 3.44Å; L506-A508 VanDerWaalsContact C-N 3.35Å; L506-E509 PolarHBondContact O-N 2.97Å; L506-L510 WeakPolarHBondContact O-CB 3.26Å; L506-L510 PolarHBondContact O-N 3.16Å
507	L	88.6	Confident	87.7	Confident	5 Å²	5	16.1 Å²	16.1	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-69.5	-34.8	177.2	-68.7	175.7	0	0	0	111.4	L291 I294 A324 I327 V503 L504 L510 D511	L291-L507 HydrophobicContact CD2-CB 4.3Å; L291-L507 HydrophobicContact CD2-CD2 4.31Å; I294-L507 HydrophobicContact CD1-CB 4.13Å; I294-L507 HydrophobicContact CD1-CD1 3.6Å; I294-L507 HydrophobicContact CD1-CG 4.33Å; A324-L507 HydrophobicContact CB-CD1 3.77Å; I327-L507 HydrophobicContact CB-CD2 4.29Å; I327-L507 HydrophobicContact CD1-CD2 3.81Å; I327-L507 HydrophobicContact CG2-CD2 3.72Å; V503-L507 HydrophobicContact CG1-CD1 3.56Å; V503-L507 HydrophobicContact CG1-CG 4.05Å; V503-L507 WeakPolarHBondContact O-CB 3.37Å; V503-L507 WeakPolarHBondContact O-CG 3.48Å; V503-L507 PolarHBondContact O-N 3.33Å; L504-L507 PolarHBondContact O-N 3.02Å; L507-L510 PolarHBondContact O-N 3.21Å; L507-D511 WeakPolarHBondContact O-CB 3.46Å; L507-D511 PolarHBondContact O-N 3.21Å
508	A	90	Very high	88.2	Confident	7 Å²	7	17.2 Å²	17.2	6%	0.058	9%	0.093	C	C	.	.	H	α-helix	trans	-65.9	-44.4	171.6	0	0	0	0	0	111	F246 L250 L504 D505 L506 L510 D511 C512	F246-A508 HydrophobicContact CB-CB 4.05Å; L250-A508 HydrophobicContact CB-CB 4.32Å; L250-A508 HydrophobicContact CD2-CB 3.74Å; L504-A508 VanDerWaalsContact O-CB 3.25Å; L504-A508 WeakPolarHBondContact O-CB 3.14Å; L504-A508 PolarHBondContact O-N 3Å; D505-A508 PolarHBondContact O-N 3.31Å; L506-A508 VanDerWaalsContact C-N 3.35Å; A508-L510 VanDerWaalsContact C-N 3.31Å; A508-L510 PolarHBondContact O-N 2.84Å; A508-D511 PolarHBondContact O-N 2.87Å; A508-C512 PolarHBondContact O-N 2.98Å; A508-C512 PolarHBondContact O-SG 2.9Å
509	E	91.8	Very high	88.8	Confident	32 Å²	32	14.9 Å²	14.9	15%	0.15	8%	0.08	C	C	.	.	H	α-helix	trans	-57.8	-45.2	174.3	-173.7	-178.8	-179.5	0	0	110.7	L250 W254 R267 L340 D505 L506 C512 L513	L250-E509 HydrophobicContact CD2-CB 4.3Å; W254-E509 HydrophobicContact CH2-CG 3.92Å; W254-E509 HydrophobicContact CZ2-CB 4.47Å; W254-E509 HydrophobicContact CZ2-CG 3.92Å; R267-E509 IonicContact CZ-OE1 3.89Å; R267-E509 IonicContact CZ-OE2 2.96Å; R267-E509 IonicContact NE-OE1 2.76Å; R267-E509 PolarHBondContact NE-OE1 3.16Å; R267-E509 IonicContact NH2-OE1 3Å; R267-E509 IonicContact NH2-OE2 3.15Å; R267-E509 PolarHBondContact NH2-OE2 3.07Å; R267-E509 VanDerWaalsContact NH2-OE2 3.15Å; L340-E509 HydrophobicContact CD1-CB 4.3Å; L340-E509 HydrophobicContact CD1-CG 3.58Å; L340-E509 VanDerWaalsContact CD1-OE1 3.24Å; L340-E509 WeakPolarHBondContact CD1-OE1 3.47Å; L340-E509 WeakPolarHBondContact CD1-OE2 3.4Å; D505-E509 PolarHBondContact O-N 3.3Å; L506-E509 PolarHBondContact O-N 2.97Å; E509-C512 PolarHBondContact O-N 2.88Å; E509-L513 HydrophobicContact CG-CD1 4.07Å; E509-L513 VanDerWaalsContact O-CG 3.25Å; E509-L513 WeakPolarHBondContact O-CG 3.34Å; E509-L513 PolarHBondContact O-N 2.84Å; E509-L513 VanDerWaalsContact O-N 3.16Å
510	L	91.4	Very high	89.2	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.2	-45.8	176.9	-179.3	68.4	0	0	0	112.4	F275 I327 M331 L340 F341 I344 L506 L507 A508 C512 L513 M514	F275-L510 HydrophobicContact CE2-CD1 3.99Å; F275-L510 HydrophobicContact CZ-CD1 4.22Å; I327-L510 HydrophobicContact CG2-CD2 4.03Å; M331-L510 HydrophobicContact CE-CD1 3.97Å; M331-L510 HydrophobicContact CE-CD2 3.59Å; M331-L510 HydrophobicContact CE-CG 4.43Å; L340-L510 HydrophobicContact CD2-CB 4.38Å; L340-L510 HydrophobicContact CD2-CD1 3.83Å; F341-L510 HydrophobicContact CE1-CD1 4.14Å; I344-L510 HydrophobicContact CD1-CB 4.21Å; I344-L510 HydrophobicContact CD1-CD1 4.48Å; I344-L510 HydrophobicContact CD1-CD2 4.2Å; L506-L510 WeakPolarHBondContact O-CB 3.26Å; L506-L510 PolarHBondContact O-N 3.16Å; L507-L510 PolarHBondContact O-N 3.21Å; A508-L510 VanDerWaalsContact C-N 3.31Å; A508-L510 PolarHBondContact O-N 2.84Å; L510-C512 PolarHBondContact O-N 3.45Å; L510-L513 PolarHBondContact O-N 3.33Å; L510-M514 HydrophobicContact CD1-CG 4.34Å; L510-M514 HydrophobicContact CD1-SD 4.42Å; L510-M514 HydrophobicContact CD2-CE 4.31Å; L510-M514 HydrophobicContact CG-CE 3.97Å; L510-M514 HydrophobicContact CG-SD 4.36Å; L510-M514 WeakPolarHBondContact O-CG 3.3Å; L510-M514 PolarHBondContact O-N 2.81Å
511	D	92.6	Very high	89.6	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.2	-45.1	178.9	-166.2	20.7	0	0	0	111.3	C242 K243 S244 L291 L507 A508 L513 M514 A515	C242-D511 WeakPolarHBondContact CA-OD1 3.24Å; C242-D511 WeakPolarHBondContact CB-OD2 3.38Å; K243-D511 PolarHBondContact N-OD1 3.29Å; K243-D511 PolarHBondContact N-OD2 3.4Å; S244-D511 WeakPolarHBondContact CB-OD2 3.32Å; S244-D511 PolarHBondContact N-OD2 3.39Å; L291-D511 HydrophobicContact CD1-CB 3.64Å; L507-D511 WeakPolarHBondContact O-CB 3.46Å; L507-D511 PolarHBondContact O-N 3.21Å; A508-D511 PolarHBondContact O-N 2.87Å; D511-L513 VanDerWaalsContact C-N 3.34Å; D511-L513 PolarHBondContact O-N 2.84Å; D511-M514 PolarHBondContact O-N 2.97Å; D511-A515 VanDerWaalsContact O-CB 3.3Å; D511-A515 WeakPolarHBondContact O-CB 3.21Å; D511-A515 PolarHBondContact O-N 3.47Å
512	C	93.3	Very high	89.9	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.8	-45.9	175.6	-67.8	0	0	0	0	112.4	G247 L251 W254 A508 E509 L510 A515 M516	G247-C512 PolarHBondContact O-SG 3.36Å; L251-C512 HydrophobicContact CD1-CB 4.27Å; L251-C512 PolarHBondContact N-SG 2.99Å; W254-C512 HydrophobicContact CE3-CB 4.02Å; W254-C512 HydrophobicContact CH2-CB 3.6Å; W254-C512 HydrophobicContact CZ2-CB 4.34Å; W254-C512 HydrophobicContact CZ3-CB 3.41Å; W254-C512 VanDerWaalsContact CZ3-CB 3.41Å; A508-C512 PolarHBondContact O-N 2.98Å; A508-C512 PolarHBondContact O-SG 2.9Å; E509-C512 PolarHBondContact O-N 2.88Å; L510-C512 PolarHBondContact O-N 3.45Å; C512-A515 PolarHBondContact O-N 2.98Å; C512-M516 WeakPolarHBondContact O-CG 3.25Å; C512-M516 PolarHBondContact O-N 3.4Å
513	L	93.1	Very high	90.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-70	-39.6	-178.2	-65	168.6	0	0	0	111.5	W254 R268 V271 I272 L340 E509 L510 D511 M516 S517	W254-L513 HydrophobicContact CH2-CD2 4.13Å; W254-L513 HydrophobicContact CH2-CG 4.07Å; W254-L513 HydrophobicContact CZ3-CD2 3.97Å; W254-L513 HydrophobicContact CZ3-CG 4.25Å; R268-L513 HydrophobicContact CB-CD2 3.65Å; R268-L513 HydrophobicContact CG-CD2 3.84Å; V271-L513 HydrophobicContact CB-CB 4.4Å; V271-L513 HydrophobicContact CB-CD1 3.85Å; V271-L513 HydrophobicContact CG1-CB 3.78Å; V271-L513 HydrophobicContact CG1-CD1 3.78Å; V271-L513 HydrophobicContact CG1-CG 4.35Å; V271-L513 HydrophobicContact CG2-CD1 4.01Å; I272-L513 HydrophobicContact CD1-CD2 4.04Å; I272-L513 HydrophobicContact CG1-CB 4.45Å; I272-L513 HydrophobicContact CG1-CD2 4.01Å; L340-L513 HydrophobicContact CD1-CD1 4Å; E509-L513 HydrophobicContact CG-CD1 4.07Å; E509-L513 VanDerWaalsContact O-CG 3.25Å; E509-L513 WeakPolarHBondContact O-CG 3.34Å; E509-L513 PolarHBondContact O-N 2.84Å; E509-L513 VanDerWaalsContact O-N 3.16Å; L510-L513 PolarHBondContact O-N 3.33Å; D511-L513 VanDerWaalsContact C-N 3.34Å; D511-L513 PolarHBondContact O-N 2.84Å; L513-M516 HydrophobicContact CD2-CE 3.82Å; L513-M516 PolarHBondContact O-N 3Å; L513-S517 WeakPolarHBondContact O-CB 2.9Å; L513-S517 PolarHBondContact O-N 3.44Å; L513-S517 PolarHBondContact O-OG 3.28Å
514	M	91.8	Very high	90.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-40.5	174.1	-71.9	-166.1	-55.7	0	0	111.8	F275 L287 Q288 L291 L510 D511 S517 S518	F275-M514 HydrophobicContact CD2-CG 3.86Å; F275-M514 HydrophobicContact CE1-CG 4.46Å; F275-M514 HydrophobicContact CE1-SD 4.22Å; F275-M514 HydrophobicContact CE2-CG 3.7Å; F275-M514 HydrophobicContact CE2-SD 4.26Å; F275-M514 HydrophobicContact CG-CG 4.31Å; F275-M514 HydrophobicContact CZ-CG 4.04Å; F275-M514 HydrophobicContact CZ-SD 3.98Å; L287-M514 HydrophobicContact CB-CE 4.03Å; L287-M514 HydrophobicContact CB-SD 3.76Å; L287-M514 HydrophobicContact CD1-SD 3.91Å; Q288-M514 HydrophobicContact CG-CE 4.37Å; L291-M514 HydrophobicContact CD1-CE 3.04Å; L291-M514 HydrophobicContact CG-CE 4.11Å; L510-M514 HydrophobicContact CD1-CG 4.34Å; L510-M514 HydrophobicContact CD1-SD 4.42Å; L510-M514 HydrophobicContact CD2-CE 4.31Å; L510-M514 HydrophobicContact CG-CE 3.97Å; L510-M514 HydrophobicContact CG-SD 4.36Å; L510-M514 WeakPolarHBondContact O-CG 3.3Å; L510-M514 PolarHBondContact O-N 2.81Å; D511-M514 PolarHBondContact O-N 2.97Å; M514-S517 WeakPolarHBondContact CA-OG 3.36Å; M514-S517 PolarHBondContact O-N 2.94Å; M514-S517 PolarHBondContact O-OG 2.88Å; M514-S518 WeakPolarHBondContact O-CB 3.25Å; M514-S518 PolarHBondContact O-N 3.1Å
515	A	92.3	Very high	90.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-48.3	175.4	0	0	0	0	0	111.9	R241 C242 D511 C512 S517 S518 A519	R241-A515 HydrophobicContact CB-CB 4.04Å; C242-A515 HydrophobicContact CB-CB 4.48Å; C242-A515 VanDerWaalsContact SG-CB 3.55Å; D511-A515 VanDerWaalsContact O-CB 3.3Å; D511-A515 WeakPolarHBondContact O-CB 3.21Å; D511-A515 PolarHBondContact O-N 3.47Å; C512-A515 PolarHBondContact O-N 2.98Å; A515-S517 PolarHBondContact O-N 3.39Å; A515-S518 PolarHBondContact O-N 3.31Å; A515-A519 PolarHBondContact O-N 2.93Å
516	M	92.5	Very high	91.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-38.7	176.2	-72.9	-171.4	-71.3	0	0	112.6	L251 W254 I272 C512 L513 A519 S520 I594	L251-M516 HydrophobicContact CD1-CE 4.42Å; L251-M516 HydrophobicContact CD1-CG 4.29Å; L251-M516 HydrophobicContact CD1-SD 4.22Å; W254-M516 HydrophobicContact CE3-CE 3.87Å; W254-M516 HydrophobicContact CZ3-CE 3.53Å; I272-M516 HydrophobicContact CD1-CB 4.23Å; I272-M516 HydrophobicContact CD1-CE 4.02Å; C512-M516 WeakPolarHBondContact O-CG 3.25Å; C512-M516 PolarHBondContact O-N 3.4Å; L513-M516 HydrophobicContact CD2-CE 3.82Å; L513-M516 PolarHBondContact O-N 3Å; M516-A519 PolarHBondContact O-N 3.17Å; M516-S520 WeakPolarHBondContact O-CB 3.45Å; M516-S520 PolarHBondContact O-N 3.22Å; M516-S520 PolarHBondContact O-OG 3.28Å; M516-I594 HydrophobicContact SD-CD1 4.37Å
517	S	92.1	Very high	91.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-40.2	176.6	72.7	0	0	0	0	112.4	F275 L513 M514 A515 S520 Q521	F275-S517 WeakPolarHBondContact CB-OG 2.82Å; L513-S517 WeakPolarHBondContact O-CB 2.9Å; L513-S517 PolarHBondContact O-N 3.44Å; L513-S517 PolarHBondContact O-OG 3.28Å; M514-S517 WeakPolarHBondContact CA-OG 3.36Å; M514-S517 PolarHBondContact O-N 2.94Å; M514-S517 PolarHBondContact O-OG 2.88Å; A515-S517 PolarHBondContact O-N 3.39Å; S517-S520 PolarHBondContact O-N 3.5Å; S517-Q521 WeakPolarHBondContact O-CG 3.45Å; S517-Q521 PolarHBondContact O-N 2.63Å
518	S	91.2	Very high	91.8	Very high	23 Å²	23	21.8 Å²	21.8	16%	0.161	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-43.5	175.7	175.4	0	0	0	0	111.6	R241 M514 A515 S520 Q521 E522	R241-S518 PolarHBondContact NH1-OG 3.25Å; M514-S518 WeakPolarHBondContact O-CB 3.25Å; M514-S518 PolarHBondContact O-N 3.1Å; A515-S518 PolarHBondContact O-N 3.31Å; S518-S520 VanDerWaalsContact C-N 3.32Å; S518-S520 PolarHBondContact O-N 2.96Å; S518-Q521 PolarHBondContact O-N 3.22Å; S518-E522 PolarHBondContact O-N 2.95Å; S518-E522 VanDerWaalsContact O-N 3.13Å
519	A	90.7	Very high	92	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.9	-40.2	174	0	0	0	0	0	111.6	L239 A515 M516 Q521 E522 Y523	L239-A519 HydrophobicContact CD2-CB 3.8Å; A515-A519 PolarHBondContact O-N 2.93Å; M516-A519 PolarHBondContact O-N 3.17Å; A519-Q521 PolarHBondContact O-N 3.47Å; A519-E522 PolarHBondContact O-N 3.11Å; A519-Y523 HydrophobicContact CB-CD2 4.39Å; A519-Y523 HydrophobicContact CB-CE2 4.37Å; A519-Y523 WeakPolarHBondContact O-CD2 3.12Å; A519-Y523 PolarHBondContact O-N 2.87Å
520	S	91.6	Very high	92	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-36.8	179.4	-56.9	0	0	0	0	112.5	M516 S517 S518 S524 Y525 D597	M516-S520 WeakPolarHBondContact O-CB 3.45Å; M516-S520 PolarHBondContact O-N 3.22Å; M516-S520 PolarHBondContact O-OG 3.28Å; S517-S520 PolarHBondContact O-N 3.5Å; S518-S520 VanDerWaalsContact C-N 3.32Å; S518-S520 PolarHBondContact O-N 2.96Å; S520-S524 WeakPolarHBondContact O-CA 3.42Å; S520-S524 PolarHBondContact O-N 3.09Å; S520-Y525 PolarHBondContact O-N 3.49Å; S520-D597 WeakPolarHBondContact OG-CB 3.47Å
521	Q	90.1	Very high	91.8	Very high	59 Å²	59	27.6 Å²	27.6	28%	0.276	15%	0.149	S	C	.	.	H	α-helix	trans	-65.5	-45.5	173	-76.9	-179.1	-24	0	0	112.3	F275 T276 S517 S518 A519	F275-Q521 PolarHBondContact O-NE2 2.92Å; T276-Q521 VanDerWaalsContact CA-NE2 3.32Å; T276-Q521 HydrophobicContact CG2-CG 3.96Å; T276-Q521 PolarHBondContact O-NE2 3.32Å; S517-Q521 WeakPolarHBondContact O-CG 3.45Å; S517-Q521 PolarHBondContact O-N 2.63Å; S518-Q521 PolarHBondContact O-N 3.22Å; A519-Q521 PolarHBondContact O-N 3.47Å
522	E	89.4	Confident	91.5	Very high	114 Å²	114	37.5 Å²	37.5	53%	0.533	19%	0.187	S	C	.	.	H	α-helix	trans	-65.7	-42.5	-177.6	-172.5	172.4	126	0	0	112.2	R241 S518 A519	R241-E522 IonicContact CZ-OE1 3.63Å; R241-E522 IonicContact CZ-OE2 3.28Å; R241-E522 IonicContact NH1-OE2 2.77Å; R241-E522 PolarHBondContact NH1-OE2 3.18Å; R241-E522 IonicContact NH2-OE1 3.28Å; R241-E522 PolarHBondContact NH2-OE1 3.13Å; R241-E522 IonicContact NH2-OE2 2.71Å; R241-E522 PolarHBondContact NH2-OE2 3.25Å; S518-E522 PolarHBondContact O-N 2.95Å; S518-E522 VanDerWaalsContact O-N 3.13Å; A519-E522 PolarHBondContact O-N 3.11Å
523	Y	88.5	Confident	91.1	Very high	38 Å²	38	41.2 Å²	41.2	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-96.2	4.9	-176.2	-54.5	-57.6	0	0	0	114.1	I238 R241 A519 Y525 R542 L548	I238-Y523 HydrophobicContact CG2-CD2 4Å; I238-Y523 HydrophobicContact CG2-CE2 3.31Å; R241-Y523 PolarHBondContact NH2-OH 3.46Å; A519-Y523 HydrophobicContact CB-CD2 4.39Å; A519-Y523 HydrophobicContact CB-CE2 4.37Å; A519-Y523 WeakPolarHBondContact O-CD2 3.12Å; A519-Y523 PolarHBondContact O-N 2.87Å; Y523-Y525 VanDerWaalsContact CB-CZ 3.46Å; Y523-Y525 HydrophobicContact CD2-CE2 4.12Å; Y523-Y525 AromaticContact CD2-CZ 3.89Å; Y523-Y525 HydrophobicContact CG-CE1 4.22Å; Y523-Y525 AromaticContact CG-CZ 3.98Å; Y523-Y525 PolarHBondContact O-N 2.93Å; Y523-R542 PolarHBondContact O-NH1 3.45Å; Y523-R542 PolarHBondContact O-NH2 3.03Å; Y523-L548 HydrophobicContact CD1-CD2 3.81Å; Y523-L548 HydrophobicContact CE1-CD1 4.35Å; Y523-L548 HydrophobicContact CE1-CD2 3.32Å; Y523-L548 HydrophobicContact CE1-CG 4.45Å
524	S	89.9	Confident	90.8	Very high	88 Å²	88	45.1 Å²	45.1	62%	0.615	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	54.2	-179	-58.8	0	0	0	0	112.3	S520 R542	S520-S524 WeakPolarHBondContact O-CA 3.42Å; S520-S524 PolarHBondContact O-N 3.09Å; S524-R542 PolarHBondContact O-NH2 3.11Å
525	Y	93.6	Very high	90.7	Very high	16 Å²	16	46.7 Å²	46.7	6%	0.063	23%	0.228	C	C	.	.			trans	-79.2	156.2	175.1	-64.6	-14.8	0	0	0	111.3	L239 S520 Y523 M591 V598 P599	L239-Y525 HydrophobicContact CD2-CE2 4.34Å; S520-Y525 PolarHBondContact O-N 3.49Å; Y523-Y525 VanDerWaalsContact CB-CZ 3.46Å; Y523-Y525 HydrophobicContact CD2-CE2 4.12Å; Y523-Y525 AromaticContact CD2-CZ 3.89Å; Y523-Y525 HydrophobicContact CG-CE1 4.22Å; Y523-Y525 AromaticContact CG-CZ 3.98Å; Y523-Y525 PolarHBondContact O-N 2.93Å; Y525-M591 HydrophobicContact CD2-CE 3.93Å; Y525-M591 HydrophobicContact CE2-CE 3.62Å; Y525-V598 WeakPolarHBondContact CA-O 3.37Å; Y525-V598 WeakPolarHBondContact CB-O 3.29Å; Y525-P599 HydrophobicContact CD1-CB 3.86Å; Y525-P599 HydrophobicContact CE1-CB 3.56Å
526	S	93.2	Very high	90.8	Very high	25 Å²	25	46.7 Å²	46.7	18%	0.175	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-115.1	147	178.8	65	0	0	0	0	111.3	P528 V598 A600 K601	S526-P528 WeakPolarHBondContact O-CD 3.34Å; S526-V598 PolarHBondContact N-O 3.34Å; S526-V598 WeakPolarHBondContact O-CG2 3.31Å; S526-V598 PolarHBondContact O-N 2.93Å; S526-A600 WeakPolarHBondContact CB-O 3.12Å; S526-A600 PolarHBondContact OG-O 3.45Å; S526-K601 PolarHBondContact OG-O 3.21Å
527	S	93.9	Very high	90.9	Very high	52 Å²	52	47.7 Å²	47.7	36%	0.364	24%	0.236	S	C	.	.			trans	-75.3	121.5	-179.5	-153	0	0	0	0	111.1	D597	S527-D597 WeakPolarHBondContact CA-OD1 2.89Å; S527-D597 VanDerWaalsContact CB-OD1 3.23Å; S527-D597 WeakPolarHBondContact CB-OD1 3.38Å; S527-D597 PolarHBondContact OG-OD1 2.72Å
528	P	94.4	Very high	91.1	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.019	24%	0.237	C	C	.	.			trans	-77.2	143.6	-177.5	30.5	-33.8	0	0	0	111.6	Q269 S526 L530 A592 V598 A603	Q269-P528 PolarHBondContact NE2-O 3.47Å; S526-P528 WeakPolarHBondContact O-CD 3.34Å; P528-L530 PolarHBondContact O-N 2.79Å; P528-A592 HydrophobicContact CB-CB 4.28Å; P528-A592 HydrophobicContact CG-CB 3.98Å; P528-V598 HydrophobicContact CB-CG1 4.29Å; P528-V598 HydrophobicContact CB-CG2 3.97Å; P528-V598 HydrophobicContact CG-CG1 3.96Å; P528-V598 HydrophobicContact CG-CG2 4.29Å; P528-A603 CarbonylContact C-O 3.56Å; P528-A603 WeakPolarHBondContact CA-O 3.44Å; P528-A603 HydrophobicContact CB-CB 4.13Å
529	K	94.1	Very high	91.3	Very high	140 Å²	140	49.2 Å²	49.2	61%	0.609	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	115.7	168.9	-66.8	178.2	-175.6	168.5	0	109.3	A603 E604 V605	K529-A603 PolarHBondContact N-O 3.29Å; K529-E604 HydrophobicContact CB-CB 4.39Å; K529-E604 HydrophobicContact CB-CG 4.42Å; K529-E604 CarbonylContact O-C 3.49Å; K529-E604 WeakPolarHBondContact O-CA 3.38Å; K529-V605 PolarHBondContact O-N 3.02Å
530	L	92.4	Very high	91.5	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.5	-179.8	-66.6	171.1	0	0	0	110.8	L262 L265 Y266 P528 A592 V605	L262-L530 HydrophobicContact CD2-CB 3.83Å; L265-L530 HydrophobicContact CB-CD1 3.55Å; L265-L530 HydrophobicContact CD1-CD1 3.78Å; L265-L530 HydrophobicContact CD2-CD1 4.44Å; L265-L530 HydrophobicContact CG-CD1 4.11Å; Y266-L530 PolarHBondContact OH-O 3.49Å; P528-L530 PolarHBondContact O-N 2.79Å; L530-A592 HydrophobicContact CD2-CB 3.99Å; L530-V605 HydrophobicContact CD2-CB 4.26Å
531	A	88	Confident	91.6	Very high	19 Å²	19	54 Å²	54	16%	0.157	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.7	-177.4	0	0	0	0	0	112.9	H533 V605 G606 L607	A531-H533 VanDerWaalsContact C-N 3.26Å; A531-H533 WeakPolarHBondContact CB-CE1 3.44Å; A531-H533 VanDerWaalsContact CB-ND1 3.28Å; A531-H533 WeakPolarHBondContact CB-ND1 3.46Å; A531-H533 PolarHBondContact O-N 2.98Å; A531-V605 PolarHBondContact N-O 3.48Å; A531-G606 WeakPolarHBondContact O-CA 3.42Å; A531-L607 PolarHBondContact O-N 3.36Å; A531-L607 VanDerWaalsContact O-N 3.13Å
532	R	85.8	Confident	91.8	Very high	207 Å²	207	53.5 Å²	53.5	78%	0.781	26%	0.262	S	S	*	.	S	Bend	trans	-76.7	-11.9	177.4	-63.8	-167.4	171.5	178.4	-2.1	113.7	L262 L607	L262-R532 HydrophobicContact CD1-CG 3.46Å; L262-R532 VanDerWaalsContact CD1-CG 3.46Å; R532-L607 HydrophobicContact CG-CD1 4.08Å
533	H	85.5	Confident	91.9	Very high	78 Å²	78	48.7 Å²	48.7	36%	0.361	24%	0.24	S	C	.	.	S	Bend	trans	-73.5	156.9	177.1	58.9	-116.5	0	0	0	110.6	A531 T535 E604 G606	A531-H533 VanDerWaalsContact C-N 3.26Å; A531-H533 WeakPolarHBondContact CB-CE1 3.44Å; A531-H533 VanDerWaalsContact CB-ND1 3.28Å; A531-H533 WeakPolarHBondContact CB-ND1 3.46Å; A531-H533 PolarHBondContact O-N 2.98Å; H533-T535 VanDerWaalsContact C-N 3.33Å; H533-T535 PolarHBondContact O-N 3.35Å; H533-E604 IonicContact CE1-OE1 3.64Å; H533-E604 PolarHBondContact CE1-OE1 3.25Å; H533-E604 IonicContact NE2-OE1 2.59Å; H533-E604 PolarHBondContact NE2-OE1 3.43Å; H533-E604 VanDerWaalsContact NE2-OE1 3.15Å; H533-G606 WeakPolarHBondContact O-CA 3.3Å
534	R	85.1	Confident	92	Very high	83 Å²	83	46.9 Å²	46.9	31%	0.313	23%	0.233	S	C	.	.	S	Bend	trans	-94.6	62.7	-174.9	-62.5	172.7	-174.2	173.5	7.5	110.3	S645 V679 H683	R534-S645 PolarHBondContact NE-OG 3.47Å; R534-S645 VanDerWaalsContact NE-OG 3.14Å; R534-V679 PolarHBondContact NH1-O 3Å; R534-H683 PolarHBondContact O-CE1 3.25Å; R534-H683 VanDerWaalsContact O-CE1 3.26Å; R534-H683 PolarHBondContact O-NE2 2.86Å
535	T	90.9	Very high	91.9	Very high	33 Å²	33	43 Å²	43	20%	0.202	21%	0.205	C	C	.	.			trans	-131	135.7	-179.2	-56.6	0	0	0	0	109.4	H533 S560 G606	H533-T535 VanDerWaalsContact C-N 3.33Å; H533-T535 PolarHBondContact O-N 3.35Å; T535-S560 WeakPolarHBondContact CA-O 3.28Å; T535-G606 WeakPolarHBondContact O-CA 3.23Å; T535-G606 PolarHBondContact O-N 2.76Å
536	I	94.1	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	108.8	174	-57.5	172.5	0	0	0	105.8	I538 F558 Q559 S560 V589 E604 V608 L647 H683	I536-I538 HydrophobicContact CG2-CD1 4.09Å; I536-I538 HydrophobicContact CG2-CG1 4.23Å; I536-F558 HydrophobicContact CB-CE1 4.26Å; I536-F558 HydrophobicContact CG2-CD1 4.04Å; I536-F558 HydrophobicContact CG2-CE1 3.95Å; I536-Q559 CarbonylContact O-C 3.59Å; I536-Q559 WeakPolarHBondContact O-CA 3.17Å; I536-S560 PolarHBondContact N-O 3.27Å; I536-S560 PolarHBondContact O-N 2.63Å; I536-V589 HydrophobicContact CD1-CG2 4.27Å; I536-V589 HydrophobicContact CG2-CG2 4.09Å; I536-E604 WeakPolarHBondContact CA-O 3.11Å; I536-V608 HydrophobicContact CD1-CG2 4.3Å; I536-L647 HydrophobicContact CD1-CD1 4.28Å; I536-H683 HydrophobicContact CD1-CB 4.17Å
537	A	95	Very high	91.4	Very high	20 Å²	20	46 Å²	46	17%	0.165	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.6	176.3	0	0	0	0	0	109.1	F558 Q559 A603 E604	A537-F558 CarbonylContact C-O 3.37Å; A537-F558 WeakPolarHBondContact CA-O 3.18Å; A537-Q559 HydrophobicContact CB-CG 4.19Å; A537-A603 CarbonylContact O-C 3.55Å; A537-A603 WeakPolarHBondContact O-CA 3.5Å; A537-E604 HydrophobicContact CB-CB 4.32Å; A537-E604 PolarHBondContact N-O 2.88Å; A537-E604 PolarHBondContact O-N 2.82Å
538	I	95.8	Very high	90.9	Very high	4 Å²	4	47 Å²	47	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.7	-177.2	-57.4	169.6	0	0	0	106.5	I536 S557 F558 V585 I588 A600	I536-I538 HydrophobicContact CG2-CD1 4.09Å; I536-I538 HydrophobicContact CG2-CG1 4.23Å; I538-S557 CarbonylContact O-C 3.49Å; I538-S557 WeakPolarHBondContact O-CA 3.31Å; I538-S557 WeakPolarHBondContact O-CB 3.28Å; I538-F558 HydrophobicContact CB-CB 4.32Å; I538-F558 HydrophobicContact CD1-CD1 4.26Å; I538-F558 PolarHBondContact N-O 3.34Å; I538-F558 PolarHBondContact O-N 2.99Å; I538-V585 HydrophobicContact CD1-CG1 4.19Å; I538-V585 HydrophobicContact CD1-CG2 4.42Å; I538-I588 HydrophobicContact CD1-CB 4.14Å; I538-I588 HydrophobicContact CD1-CD1 4.16Å; I538-I588 HydrophobicContact CD1-CG2 3.74Å; I538-I588 HydrophobicContact CG1-CG2 4.13Å; I538-I588 HydrophobicContact CG2-CD1 3.85Å; I538-A600 HydrophobicContact CG2-CB 3.97Å
539	T	95.4	Very high	90.5	Very high	51 Å²	51	51 Å²	51	31%	0.313	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.9	175.9	65.3	0	0	0	0	109.7	G541 K601 E602	T539-G541 VanDerWaalsContact C-N 3.29Å; T539-G541 PolarHBondContact O-N 2.94Å; T539-K601 PolarHBondContact O-N 3.03Å; T539-E602 PolarHBondContact N-O 2.85Å; T539-E602 WeakPolarHBondContact OG1-CA 3.37Å; T539-E602 VanDerWaalsContact OG1-CB 3.27Å; T539-E602 WeakPolarHBondContact OG1-CB 3.48Å; T539-E602 PolarHBondContact OG1-N 2.92Å; T539-E602 PolarHBondContact OG1-O 3.46Å
540	Q	93.8	Very high	89.8	Confident	103 Å²	103	46.5 Å²	46.5	48%	0.481	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.7	51.9	-177.6	-64.6	-172.8	-29.4	0	0	112.7	A555 S557 K601	Q540-A555 HydrophobicContact CB-CB 3.86Å; Q540-A555 HydrophobicContact CG-CB 4.47Å; Q540-S557 PolarHBondContact N-OG 2.92Å; Q540-S557 VanDerWaalsContact N-OG 3.13Å; Q540-K601 HydrophobicContact CB-CB 4.07Å
541	G	94.3	Very high	88.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	146.4	174.4	0	0	0	0	0	111.5	T539 A555 N556 Q584 P599	T539-G541 VanDerWaalsContact C-N 3.29Å; T539-G541 PolarHBondContact O-N 2.94Å; G541-A555 VanDerWaalsContact O-CA 3.31Å; G541-A555 WeakPolarHBondContact O-CA 3.27Å; G541-N556 PolarHBondContact N-O 3.38Å; G541-N556 PolarHBondContact O-N 2.87Å; G541-Q584 PolarHBondContact O-NE2 2.81Å; G541-P599 CarbonylContact C-O 3.54Å; G541-P599 WeakPolarHBondContact CA-O 3.36Å
542	R	93.7	Very high	88.7	Confident	47 Å²	47	57.3 Å²	57.3	18%	0.177	30%	0.299	C	S	.	.			trans	-124.4	151.9	177.8	-59.2	172.1	-71.7	166.1	-1	110.2	Y523 S524 E547 F553 A555 P599	Y523-R542 PolarHBondContact O-NH1 3.45Å; Y523-R542 PolarHBondContact O-NH2 3.03Å; S524-R542 PolarHBondContact O-NH2 3.11Å; R542-E547 WeakPolarHBondContact CD-OE1 3.22Å; R542-E547 IonicContact CZ-OE1 2.65Å; R542-E547 IonicContact CZ-OE2 3.94Å; R542-E547 IonicContact NE-OE1 3.26Å; R542-E547 IonicContact NE-OE2 3.43Å; R542-E547 IonicContact NH1-OE1 2.77Å; R542-E547 PolarHBondContact NH1-OE1 2.76Å; R542-E547 IonicContact NH1-OE2 2.74Å; R542-F553 HydrophobicContact CB-CD1 4.04Å; R542-F553 HydrophobicContact CB-CE1 4.02Å; R542-F553 HydrophobicContact CG-CD1 4.07Å; R542-F553 HydrophobicContact CG-CE1 4.34Å; R542-A555 HydrophobicContact CG-CB 3.99Å; R542-P599 HydrophobicContact CB-CB 4.27Å; R542-P599 PolarHBondContact N-O 2.93Å; R542-P599 VanDerWaalsContact O-CG 3.32Å; R542-P599 WeakPolarHBondContact O-CG 3.48Å
543	H	92.5	Very high	88.8	Confident	14 Å²	14	49.8 Å²	49.8	7%	0.065	27%	0.272	C	S	.	.			trans	-86	115.5	175	-172.7	-56.7	0	0	0	109.7	L545 L546 E547 F553 I580 Q584 L587	H543-L545 VanDerWaalsContact C-N 3.32Å; H543-L545 PolarHBondContact ND1-N 2.79Å; H543-L545 PolarHBondContact O-N 3.33Å; H543-L546 HydrophobicContact CB-CB 4.12Å; H543-L546 PolarHBondContact ND1-N 2.98Å; H543-L546 PolarHBondContact O-N 3.16Å; H543-E547 VanDerWaalsContact O-CB 3.32Å; H543-E547 WeakPolarHBondContact O-CB 3.38Å; H543-E547 PolarHBondContact O-N 3.29Å; H543-F553 HydrophobicContact CB-CE2 3.77Å; H543-F553 HydrophobicContact CB-CZ 3.66Å; H543-I580 HydrophobicContact CB-CG2 4.31Å; H543-Q584 HydrophobicContact CB-CB 4.15Å; H543-Q584 HydrophobicContact CB-CG 4.43Å; H543-L587 VanDerWaalsContact CE1-CD1 3.47Å; H543-L587 WeakPolarHBondContact CE1-CD1 3.4Å
544	P	90.1	Very high	89	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-36.7	-167.6	22.7	-32.4	0	0	0	113.4	L235 L587 M591 P599	L235-P544 HydrophobicContact CD1-CB 4.32Å; L235-P544 HydrophobicContact CD1-CG 3.97Å; P544-L587 HydrophobicContact CG-CB 4.23Å; P544-L587 HydrophobicContact CG-CD1 3.97Å; P544-M591 HydrophobicContact CG-SD 4.28Å; P544-P599 HydrophobicContact CB-CG 4.2Å; P544-P599 HydrophobicContact CG-CG 4.29Å
545	L	89.2	Confident	89.3	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-77.6	-44.9	178.5	-61.8	162.5	0	0	0	113.5	Q212 L233 I238 H543 E547 L548	Q212-L545 HydrophobicContact CB-CD1 3.8Å; Q212-L545 HydrophobicContact CG-CD1 4.04Å; L233-L545 HydrophobicContact CG-CD2 4.05Å; I238-L545 HydrophobicContact CD1-CD2 3.34Å; I238-L545 HydrophobicContact CD1-CG 4.15Å; I238-L545 HydrophobicContact CG1-CD2 4.21Å; H543-L545 VanDerWaalsContact C-N 3.32Å; H543-L545 PolarHBondContact ND1-N 2.79Å; H543-L545 PolarHBondContact O-N 3.33Å; L545-E547 VanDerWaalsContact C-N 3.34Å; L545-L548 PolarHBondContact O-N 3Å
546	L	87.1	Confident	89.4	Confident	58 Å²	58	45.3 Å²	45.3	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-74.6	-27.7	-173.8	-175.4	59.3	0	0	0	112.1	H543 L548 C549 S550 F553 I580	H543-L546 HydrophobicContact CB-CB 4.12Å; H543-L546 PolarHBondContact ND1-N 2.98Å; H543-L546 PolarHBondContact O-N 3.16Å; L546-L548 PolarHBondContact O-N 3.26Å; L546-C549 HydrophobicContact CD1-CB 4.28Å; L546-C549 PolarHBondContact O-N 3.15Å; L546-C549 VanDerWaalsContact O-N 3.1Å; L546-S550 PolarHBondContact O-N 3.41Å; L546-F553 HydrophobicContact CB-CE2 4.22Å; L546-F553 HydrophobicContact CD2-CD2 4.42Å; L546-F553 HydrophobicContact CD2-CE2 3.95Å; L546-F553 HydrophobicContact CG-CD2 4.26Å; L546-F553 HydrophobicContact CG-CE2 4.15Å; L546-I580 HydrophobicContact CD2-CD1 3.6Å; L546-I580 HydrophobicContact CD2-CG1 4.1Å; L546-I580 HydrophobicContact CD2-CG2 3.65Å
547	E	87.3	Confident	89.4	Confident	47 Å²	47	48.5 Å²	48.5	22%	0.22	29%	0.285	C	S	.	.	H	α-helix	trans	-56.7	-33.8	171.1	177.7	168.5	-161.2	0	0	112.3	R542 H543 L545 S550	R542-E547 WeakPolarHBondContact CD-OE1 3.22Å; R542-E547 IonicContact CZ-OE1 2.65Å; R542-E547 IonicContact CZ-OE2 3.94Å; R542-E547 IonicContact NE-OE1 3.26Å; R542-E547 IonicContact NE-OE2 3.43Å; R542-E547 IonicContact NH1-OE1 2.77Å; R542-E547 PolarHBondContact NH1-OE1 2.76Å; R542-E547 IonicContact NH1-OE2 2.74Å; H543-E547 VanDerWaalsContact O-CB 3.32Å; H543-E547 WeakPolarHBondContact O-CB 3.38Å; H543-E547 PolarHBondContact O-N 3.29Å; L545-E547 VanDerWaalsContact C-N 3.34Å; E547-S550 VanDerWaalsContact O-O 3.11Å
548	L	85.3	Confident	89.3	Confident	73 Å²	73	48 Å²	48	38%	0.382	28%	0.279	S	S	.	.	H	α-helix	trans	-76.3	-25.9	177.3	-55.7	-176.6	0	0	0	113.2	L233 I238 Y523 L545 L546	L233-L548 HydrophobicContact CD1-CD1 4.42Å; I238-L548 HydrophobicContact CD1-CD1 3.43Å; I238-L548 VanDerWaalsContact CD1-CD1 3.43Å; I238-L548 HydrophobicContact CD1-CG 4.43Å; I238-L548 HydrophobicContact CG1-CD1 3.81Å; Y523-L548 HydrophobicContact CD1-CD2 3.81Å; Y523-L548 HydrophobicContact CE1-CD1 4.35Å; Y523-L548 HydrophobicContact CE1-CD2 3.32Å; Y523-L548 HydrophobicContact CE1-CG 4.45Å; L545-L548 PolarHBondContact O-N 3Å; L546-L548 PolarHBondContact O-N 3.26Å
549	C	84.8	Confident	89.1	Confident	85 Å²	85	51.9 Å²	51.9	57%	0.574	30%	0.297	S	S	*	.	H	α-helix	trans	-90.5	-20.3	-177.4	-62.7	0	0	0	0	113	L233 L546	L233-C549 VanDerWaalsContact CD2-SG 3.55Å; L546-C549 HydrophobicContact CD1-CB 4.28Å; L546-C549 PolarHBondContact O-N 3.15Å; L546-C549 VanDerWaalsContact O-N 3.1Å
550	S	79.8	Confident	88.9	Confident	46 Å²	46	49.5 Å²	49.5	32%	0.322	28%	0.282	S	S	.	.			trans	-117.2	130.2	-175.7	-173.7	0	0	0	0	111.2	L546 E547 V552	L546-S550 PolarHBondContact O-N 3.41Å; E547-S550 VanDerWaalsContact O-O 3.11Å; S550-V552 PolarHBondContact O-N 3.06Å; S550-V552 PolarHBondContact OG-O 3.27Å
551	P	72.5	Confident	88.6	Confident	135 Å²	135	45 Å²	45	88%	0.877	26%	0.262	S	S	*	.	S	Bend	trans	-67.5	-23	179.2	28.5	-35.3	0	0	0	113.3
552	V	83.9	Confident	88	Confident	114 Å²	114	50.1 Å²	50.1	69%	0.691	29%	0.286	S	S	*	.			trans	-131.4	122	176.2	-177	0	0	0	0	108.2	S550	S550-V552 PolarHBondContact O-N 3.06Å; S550-V552 PolarHBondContact OG-O 3.27Å
553	F	87.8	Confident	87.3	Confident	49 Å²	49	52.8 Å²	52.8	22%	0.215	31%	0.312	C	S	.	.			trans	-120.9	130	175.2	-172.1	-83.6	0	0	0	109.9	R542 H543 L546 I580	R542-F553 HydrophobicContact CB-CD1 4.04Å; R542-F553 HydrophobicContact CB-CE1 4.02Å; R542-F553 HydrophobicContact CG-CD1 4.07Å; R542-F553 HydrophobicContact CG-CE1 4.34Å; H543-F553 HydrophobicContact CB-CE2 3.77Å; H543-F553 HydrophobicContact CB-CZ 3.66Å; L546-F553 HydrophobicContact CB-CE2 4.22Å; L546-F553 HydrophobicContact CD2-CD2 4.42Å; L546-F553 HydrophobicContact CD2-CE2 3.95Å; L546-F553 HydrophobicContact CG-CD2 4.26Å; L546-F553 HydrophobicContact CG-CE2 4.15Å; F553-I580 HydrophobicContact CE2-CG2 4.5Å
554	V	90.2	Very high	86.6	Confident	45 Å²	45	55.5 Å²	55.5	27%	0.273	33%	0.325	S	S	.	.			trans	-88.8	111.5	179.3	-179	0	0	0	0	109.4	N556 Q724	V554-N556 PolarHBondContact O-ND2 3.4Å; V554-Q724 HydrophobicContact CG1-CG 3.63Å
555	A	92.2	Very high	86.3	Confident	39 Å²	39	55.5 Å²	55.5	32%	0.322	33%	0.325	S	S	.	.			trans	-73.6	137.2	179.3	0	0	0	0	0	111.6	Q540 G541 R542	Q540-A555 HydrophobicContact CB-CB 3.86Å; Q540-A555 HydrophobicContact CG-CB 4.47Å; G541-A555 VanDerWaalsContact O-CA 3.31Å; G541-A555 WeakPolarHBondContact O-CA 3.27Å; R542-A555 HydrophobicContact CG-CB 3.99Å
556	N	93.1	Very high	86.3	Confident	16 Å²	16	55.2 Å²	55.2	9%	0.086	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.4	-176.8	-75.9	-69.7	0	0	0	111.7	G541 V554 F581 Y723 Q724 L725	G541-N556 PolarHBondContact N-O 3.38Å; G541-N556 PolarHBondContact O-N 2.87Å; V554-N556 PolarHBondContact O-ND2 3.4Å; N556-F581 HydrophobicContact CB-CD2 4Å; N556-F581 HydrophobicContact CB-CE2 3.78Å; N556-Y723 PolarHBondContact ND2-O 3.43Å; N556-Y723 PolarHBondContact OD1-O 2.86Å; N556-Q724 WeakPolarHBondContact OD1-CA 3.38Å; N556-L725 PolarHBondContact OD1-N 3.22Å
557	S	93.5	Very high	86.5	Confident	67 Å²	67	52.5 Å²	52.5	47%	0.469	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	147.8	173.8	-60.4	0	0	0	0	110.8	I538 Q540	I538-S557 CarbonylContact O-C 3.49Å; I538-S557 WeakPolarHBondContact O-CA 3.31Å; I538-S557 WeakPolarHBondContact O-CB 3.28Å; Q540-S557 PolarHBondContact N-OG 2.92Å; Q540-S557 VanDerWaalsContact N-OG 3.13Å
558	F	93.1	Very high	86.7	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.035	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.8	179.6	176.2	-104.3	0	0	0	109.8	I536 A537 I538 K568 F581 V585 L685	I536-F558 HydrophobicContact CB-CE1 4.26Å; I536-F558 HydrophobicContact CG2-CD1 4.04Å; I536-F558 HydrophobicContact CG2-CE1 3.95Å; A537-F558 CarbonylContact C-O 3.37Å; A537-F558 WeakPolarHBondContact CA-O 3.18Å; I538-F558 HydrophobicContact CB-CB 4.32Å; I538-F558 HydrophobicContact CD1-CD1 4.26Å; I538-F558 PolarHBondContact N-O 3.34Å; I538-F558 PolarHBondContact O-N 2.99Å; F558-K568 HydrophobicContact CE2-CB 4.49Å; F558-K568 HydrophobicContact CE2-CG 3.87Å; F558-K568 HydrophobicContact CZ-CG 4.27Å; F558-F581 HydrophobicContact CB-CZ 3.95Å; F558-F581 HydrophobicContact CD2-CE1 4.04Å; F558-F581 AromaticContact CD2-CZ 3.76Å; F558-F581 HydrophobicContact CD2-CZ 3.76Å; F558-F581 HydrophobicContact CG-CZ 4.19Å; F558-V585 HydrophobicContact CB-CG2 4.18Å; F558-V585 HydrophobicContact CD1-CG1 3.92Å; F558-V585 HydrophobicContact CD1-CG2 4.13Å; F558-V585 HydrophobicContact CD2-CG2 4.35Å; F558-V585 HydrophobicContact CE1-CG1 3.87Å; F558-V585 HydrophobicContact CG-CG2 3.95Å; F558-V585 HydrophobicContact CZ-CG1 4.46Å; F558-L685 HydrophobicContact CD2-CD2 4.32Å; F558-L685 HydrophobicContact CE1-CD1 4.36Å; F558-L685 HydrophobicContact CE2-CD1 4.16Å; F558-L685 HydrophobicContact CE2-CD2 3.66Å; F558-L685 HydrophobicContact CE2-CG 3.85Å; F558-L685 HydrophobicContact CZ-CD1 3.58Å; F558-L685 HydrophobicContact CZ-CD2 3.81Å; F558-L685 HydrophobicContact CZ-CG 3.81Å
559	Q	92.3	Very high	87.1	Confident	87 Å²	87	47 Å²	47	41%	0.407	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.8	177.2	-164	174.6	-13.9	0	0	110.4	I536 A537 E564 K568	I536-Q559 CarbonylContact O-C 3.59Å; I536-Q559 WeakPolarHBondContact O-CA 3.17Å; A537-Q559 HydrophobicContact CB-CG 4.19Å; Q559-E564 WeakPolarHBondContact CB-OE2 3.45Å; Q559-E564 WeakPolarHBondContact CG-OE2 3.25Å; Q559-E564 PolarHBondContact NE2-OE1 2.56Å; Q559-E564 PolarHBondContact NE2-OE2 3.47Å; Q559-E564 PolarHBondContact OE1-OE1 3.14Å; Q559-E564 PolarHBondContact OE1-OE2 3.05Å; Q559-E564 VanDerWaalsContact OE1-OE2 3.09Å; Q559-K568 WeakPolarHBondContact O-CE 3.3Å; Q559-K568 PolarHBondContact O-NZ 3.2Å
560	S	90.9	Very high	87.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	109.2	-179.2	-170.2	0	0	0	0	109	T535 I536 H683	T535-S560 WeakPolarHBondContact CA-O 3.28Å; I536-S560 PolarHBondContact N-O 3.27Å; I536-S560 PolarHBondContact O-N 2.63Å; S560-H683 PolarHBondContact OG-ND1 3.25Å
561	S	87.5	Confident	87.8	Confident	8 Å²	8	40.9 Å²	40.9	6%	0.056	24%	0.239	C	C	.	.			trans	-142.2	177.2	-179.2	71.6	0	0	0	0	110	S563 E564 G565	S561-S563 VanDerWaalsContact C-N 3.28Å; S561-S563 PolarHBondContact OG-N 3.22Å; S561-S563 PolarHBondContact OG-OG 3.02Å; S561-E564 PolarHBondContact OG-N 3.26Å; S561-G565 CarbonylContact O-C 3.12Å; S561-G565 VanDerWaalsContact O-C 3.3Å; S561-G565 WeakPolarHBondContact O-CA 3.49Å; S561-G565 PolarHBondContact O-N 2.76Å; S561-G565 VanDerWaalsContact O-N 3.11Å
562	E	80.4	Confident	88.3	Confident	109 Å²	109	34.5 Å²	34.5	51%	0.509	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-31.4	170.5	-67.1	178.8	-174.6	0	0	112.2	R566 M704	E562-R566 VanDerWaalsContact CG-NH2 3.29Å; E562-R566 IonicContact OE1-CZ 3.51Å; E562-R566 IonicContact OE1-NH2 2.99Å; E562-R566 PolarHBondContact OE1-NH2 2.97Å; E562-M704 WeakPolarHBondContact O-CE 3.03Å
563	S	78.8	Confident	88	Confident	103 Å²	103	29.9 Å²	29.9	72%	0.72	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-34	-178.7	57.2	0	0	0	0	113.4	S561	S561-S563 VanDerWaalsContact C-N 3.28Å; S561-S563 PolarHBondContact OG-N 3.22Å; S561-S563 PolarHBondContact OG-OG 3.02Å
564	E	78.7	Confident	87.5	Confident	71 Å²	71	31.4 Å²	31.4	33%	0.332	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	1.7	-174.9	-65	-174.1	-170.9	0	0	113.4	Q559 S561 K568 S706	Q559-E564 WeakPolarHBondContact CB-OE2 3.45Å; Q559-E564 WeakPolarHBondContact CG-OE2 3.25Å; Q559-E564 PolarHBondContact NE2-OE1 2.56Å; Q559-E564 PolarHBondContact NE2-OE2 3.47Å; Q559-E564 PolarHBondContact OE1-OE1 3.14Å; Q559-E564 PolarHBondContact OE1-OE2 3.05Å; Q559-E564 VanDerWaalsContact OE1-OE2 3.09Å; S561-E564 PolarHBondContact OG-N 3.26Å; E564-K568 PolarHBondContact O-NZ 3.22Å; E564-S706 PolarHBondContact O-OG 3Å
565	G	83.5	Confident	86.9	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.			trans	85.9	132.9	178.7	0	0	0	0	0	113.9	S561 K568 G703 M704	S561-G565 CarbonylContact O-C 3.12Å; S561-G565 VanDerWaalsContact O-C 3.3Å; S561-G565 WeakPolarHBondContact O-CA 3.49Å; S561-G565 PolarHBondContact O-N 2.76Å; S561-G565 VanDerWaalsContact O-N 3.11Å; G565-K568 WeakPolarHBondContact O-CE 3.44Å; G565-K568 PolarHBondContact O-NZ 3.19Å; G565-G703 WeakPolarHBondContact CA-O 3.37Å; G565-G703 PolarHBondContact N-O 2.88Å; G565-M704 CarbonylContact C-O 3.59Å; G565-M704 VanDerWaalsContact CA-C 3.48Å; G565-M704 WeakPolarHBondContact CA-O 3.34Å
566	R	89.1	Confident	86.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-84.4	-25.2	-179.8	-64.3	-169.8	-178	171.9	5.8	113.2	E562 G644 L678 V679 V681 P682 V684 M704	E562-R566 VanDerWaalsContact CG-NH2 3.29Å; E562-R566 IonicContact OE1-CZ 3.51Å; E562-R566 IonicContact OE1-NH2 2.99Å; E562-R566 PolarHBondContact OE1-NH2 2.97Å; R566-G644 PolarHBondContact NH1-O 3.5Å; R566-L678 PolarHBondContact NH1-O 3.41Å; R566-V679 PolarHBondContact NH1-O 3.12Å; R566-V679 VanDerWaalsContact NH1-O 3.15Å; R566-V681 HydrophobicContact CB-CG1 4.27Å; R566-V681 WeakPolarHBondContact CD-O 3.38Å; R566-V681 PolarHBondContact NH1-O 3.22Å; R566-P682 WeakPolarHBondContact CB-O 3.3Å; R566-V684 PolarHBondContact O-N 2.97Å; R566-M704 PolarHBondContact N-O 2.87Å
567	I	92.1	Very high	85.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.7	179	-54.7	-171.8	0	0	0	109	V670 W673 L674 V681 V684 M704 L705 S706	I567-V670 HydrophobicContact CG2-CG1 4.24Å; I567-W673 HydrophobicContact CD1-CB 3.83Å; I567-L674 HydrophobicContact CD1-CD2 3.62Å; I567-L674 HydrophobicContact CD1-CG 3.78Å; I567-L674 HydrophobicContact CG1-CD2 4.41Å; I567-V681 HydrophobicContact CD1-CG1 4.13Å; I567-V681 HydrophobicContact CG1-CG1 4.08Å; I567-V684 WeakPolarHBondContact CA-O 3.2Å; I567-V684 HydrophobicContact CB-CB 4.41Å; I567-V684 HydrophobicContact CG1-CB 4.12Å; I567-V684 HydrophobicContact CG1-CG2 4.16Å; I567-V684 HydrophobicContact CG2-CB 4.17Å; I567-V684 HydrophobicContact CG2-CG1 4.45Å; I567-M704 PolarHBondContact N-O 3.04Å; I567-L705 HydrophobicContact CB-CD1 4.11Å; I567-L705 HydrophobicContact CG2-CD1 3.7Å; I567-L705 WeakPolarHBondContact O-CA 3.3Å; I567-S706 PolarHBondContact O-N 2.98Å
568	K	92.3	Very high	85.6	Confident	6 Å²	6	29.3 Å²	29.3	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.4	-178.5	-56	-58.5	-159.6	173.1	0	109.4	F558 Q559 E564 G565 V684 L686 S706 L708	F558-K568 HydrophobicContact CE2-CB 4.49Å; F558-K568 HydrophobicContact CE2-CG 3.87Å; F558-K568 HydrophobicContact CZ-CG 4.27Å; Q559-K568 WeakPolarHBondContact O-CE 3.3Å; Q559-K568 PolarHBondContact O-NZ 3.2Å; E564-K568 PolarHBondContact O-NZ 3.22Å; G565-K568 WeakPolarHBondContact O-CE 3.44Å; G565-K568 PolarHBondContact O-NZ 3.19Å; K568-V684 PolarHBondContact N-O 3.06Å; K568-L686 PolarHBondContact O-N 2.96Å; K568-S706 WeakPolarHBondContact CA-O 3.44Å; K568-S706 WeakPolarHBondContact CD-OG 3.46Å; K568-S706 WeakPolarHBondContact CE-OG 3.42Å; K568-S706 PolarHBondContact NZ-OG 2.73Å; K568-L708 HydrophobicContact CB-CD1 4.05Å; K568-L708 HydrophobicContact CD-CD1 4.25Å; K568-L708 HydrophobicContact CG-CD1 4.32Å
569	V	91.8	Very high	85.4	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.1	176.1	-177.6	0	0	0	0	108.9	T571 L686 T688 L693 L705 S706 F707 L708	V569-T571 HydrophobicContact CG1-CG2 4.38Å; V569-L686 CarbonylContact C-O 3.53Å; V569-L686 WeakPolarHBondContact CA-O 3.31Å; V569-L686 HydrophobicContact CG1-CD2 4.39Å; V569-L686 HydrophobicContact CG2-CD2 4.18Å; V569-T688 HydrophobicContact CG1-CG2 3.84Å; V569-L693 HydrophobicContact CG1-CD2 4.39Å; V569-L705 HydrophobicContact CG2-CD1 3.72Å; V569-S706 PolarHBondContact N-O 3.41Å; V569-F707 HydrophobicContact CB-CD1 3.74Å; V569-F707 HydrophobicContact CB-CE1 3.87Å; V569-F707 HydrophobicContact CG1-CD1 4.23Å; V569-F707 HydrophobicContact CG1-CE1 4.33Å; V569-F707 HydrophobicContact CG2-CD1 4.37Å; V569-F707 HydrophobicContact CG2-CE1 4.02Å; V569-F707 WeakPolarHBondContact O-CA 3.28Å; V569-L708 PolarHBondContact O-N 3.07Å
570	I	91.3	Very high	85.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.7	-176	-57.9	161	0	0	0	109.1	K578 F581 L582 L686 A687 T688 L708 L725	I570-K578 HydrophobicContact CG2-CD 4.48Å; I570-K578 HydrophobicContact CG2-CG 4.2Å; I570-F581 HydrophobicContact CD1-CD1 3.59Å; I570-F581 HydrophobicContact CD1-CE1 3.69Å; I570-L582 HydrophobicContact CD1-CD1 3.73Å; I570-L686 PolarHBondContact N-O 3.18Å; I570-A687 WeakPolarHBondContact O-CA 3.37Å; I570-T688 PolarHBondContact O-N 2.78Å; I570-L708 CarbonylContact C-O 3.56Å; I570-L708 WeakPolarHBondContact CA-O 3.37Å; I570-L708 HydrophobicContact CG1-CB 4.08Å; I570-L708 HydrophobicContact CG1-CD1 4.3Å; I570-L725 HydrophobicContact CG2-CD1 4.33Å
571	T	88.6	Confident	85.3	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.3	-179.5	60.8	0	0	0	0	111.3	V569 T688 L708 T709 L710 C730	V569-T571 HydrophobicContact CG1-CG2 4.38Å; T571-T688 HydrophobicContact CG2-CG2 4.29Å; T571-L708 PolarHBondContact N-O 2.81Å; T571-L708 PolarHBondContact OG1-O 3.23Å; T571-T709 WeakPolarHBondContact O-CA 3.48Å; T571-T709 PolarHBondContact O-OG1 3.21Å; T571-L710 PolarHBondContact O-N 3.2Å; T571-C730 PolarHBondContact OG1-N 2.99Å
572	G	82.8	Confident	85.5	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.01	17%	0.174	C	C	.	.			trans	163.5	167.5	177.1	0	0	0	0	0	112.1	K578	G572-K578 PolarHBondContact O-NZ 2.95Å
573	P	78.3	Confident	86	Confident	16 Å²	16	26.2 Å²	26.2	10%	0.104	16%	0.158	C	C	.	.			trans	-62.3	162.2	179	20.3	-26.7	0	0	0	112.6	S576 K578 T712 F721 Y734 I738	P573-S576 WeakPolarHBondContact O-CB 3.48Å; P573-S576 PolarHBondContact O-N 2.72Å; P573-S576 PolarHBondContact O-OG 2.93Å; P573-K578 PolarHBondContact O-NZ 3.31Å; P573-T712 HydrophobicContact CG-CG2 3.54Å; P573-F721 HydrophobicContact CB-CE1 4.11Å; P573-F721 HydrophobicContact CG-CD1 4.27Å; P573-F721 HydrophobicContact CG-CE1 3.78Å; P573-Y734 HydrophobicContact CG-CD2 4.32Å; P573-I738 HydrophobicContact CB-CD1 4.34Å
574	N	77.9	Confident	86.7	Confident	82 Å²	82	21.5 Å²	21.5	44%	0.439	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	148.7	171.5	-68.9	-14.9	0	0	0	109.6	S576 N689	N574-S576 PolarHBondContact O-N 3.07Å; N574-S576 VanDerWaalsContact O-N 3.17Å; N574-N689 PolarHBondContact OD1-ND2 2.71Å
575	S	75.9	Confident	87.4	Confident	99 Å²	99	18.1 Å²	18.1	69%	0.692	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	3.9	-176.8	-47.5	0	0	0	0	116.4	G577	S575-G577 PolarHBondContact O-N 3.49Å
576	S	79.8	Confident	87.8	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.007	11%	0.109	C	C	.	.	S	Bend	trans	-71	-9.2	173	56.7	0	0	0	0	114.7	P573 N574 L710 Y723	P573-S576 WeakPolarHBondContact O-CB 3.48Å; P573-S576 PolarHBondContact O-N 2.72Å; P573-S576 PolarHBondContact O-OG 2.93Å; N574-S576 PolarHBondContact O-N 3.07Å; N574-S576 VanDerWaalsContact O-N 3.17Å; S576-L710 WeakPolarHBondContact O-CD1 2.78Å; S576-Y723 WeakPolarHBondContact O-CD1 3.44Å
577	G	84.6	Confident	88	Confident	15 Å²	15	18.1 Å²	18.1	16%	0.155	11%	0.109	C	C	.	.	S	Bend	trans	99.6	11.4	178.7	0	0	0	0	0	116.2	S575 S579 I580 F581	S575-G577 PolarHBondContact O-N 3.49Å; G577-S579 PolarHBondContact O-N 3.4Å; G577-I580 WeakPolarHBondContact O-CB 2.83Å; G577-I580 PolarHBondContact O-N 3.03Å; G577-I580 VanDerWaalsContact O-N 3.15Å; G577-F581 PolarHBondContact O-N 2.71Å
578	K	88.8	Confident	88.2	Confident	8 Å²	8	18.1 Å²	18.1	4%	0.035	11%	0.109	C	C	.	.	H	α-helix	trans	-50	-55.9	178.6	-60.9	-172.4	-59.7	-78.2	0	112.9	I570 G572 P573 I580 F581 L582 A687 N689 L710	I570-K578 HydrophobicContact CG2-CD 4.48Å; I570-K578 HydrophobicContact CG2-CG 4.2Å; G572-K578 PolarHBondContact O-NZ 2.95Å; P573-K578 PolarHBondContact O-NZ 3.31Å; K578-I580 VanDerWaalsContact C-N 3.3Å; K578-I580 PolarHBondContact O-N 3.33Å; K578-F581 WeakPolarHBondContact O-CB 3.39Å; K578-F581 PolarHBondContact O-N 3.26Å; K578-F581 VanDerWaalsContact O-N 3.15Å; K578-L582 WeakPolarHBondContact O-CD1 3.31Å; K578-L582 PolarHBondContact O-N 3.01Å; K578-L582 VanDerWaalsContact O-N 3.09Å; K578-A687 HydrophobicContact CB-CB 3.99Å; K578-A687 HydrophobicContact CD-CB 4.46Å; K578-N689 WeakPolarHBondContact CE-OD1 3.04Å; K578-N689 PolarHBondContact NZ-OD1 3.38Å; K578-L710 HydrophobicContact CB-CD1 4.19Å; K578-L710 HydrophobicContact CG-CD1 3.53Å; K578-L710 VanDerWaalsContact N-CD1 3.3Å
579	S	88.6	Confident	88.2	Confident	39 Å²	39	17.8 Å²	17.8	27%	0.273	11%	0.108	S	C	.	.	H	α-helix	trans	-61.3	-38.6	-179.3	-45	0	0	0	0	112.2	G577 F581 L582 K583 D651	G577-S579 PolarHBondContact O-N 3.4Å; S579-F581 VanDerWaalsContact C-N 3.33Å; S579-F581 PolarHBondContact O-N 3.28Å; S579-L582 PolarHBondContact O-N 3.28Å; S579-K583 VanDerWaalsContact O-CG 3.25Å; S579-K583 WeakPolarHBondContact O-CG 3.36Å; S579-K583 PolarHBondContact O-N 2.97Å; S579-D651 WeakPolarHBondContact CB-OD2 3.48Å; S579-D651 VanDerWaalsContact OG-CG 3.3Å; S579-D651 PolarHBondContact OG-OD1 2.99Å; S579-D651 PolarHBondContact OG-OD2 3.45Å
580	I	89.6	Confident	88.3	Confident	62 Å²	62	17.8 Å²	17.8	32%	0.318	11%	0.108	S	C	.	.	H	α-helix	trans	-62.8	-43.2	177.1	-65.5	163	0	0	0	110	H543 L546 F553 G577 K578 K583 Q584	H543-I580 HydrophobicContact CB-CG2 4.31Å; L546-I580 HydrophobicContact CD2-CD1 3.6Å; L546-I580 HydrophobicContact CD2-CG1 4.1Å; L546-I580 HydrophobicContact CD2-CG2 3.65Å; F553-I580 HydrophobicContact CE2-CG2 4.5Å; G577-I580 WeakPolarHBondContact O-CB 2.83Å; G577-I580 PolarHBondContact O-N 3.03Å; G577-I580 VanDerWaalsContact O-N 3.15Å; K578-I580 VanDerWaalsContact C-N 3.3Å; K578-I580 PolarHBondContact O-N 3.33Å; I580-K583 PolarHBondContact O-N 3.43Å; I580-Q584 WeakPolarHBondContact O-CB 3.38Å; I580-Q584 PolarHBondContact O-N 3.45Å
581	F	91.4	Very high	88.5	Confident	4 Å²	4	17.8 Å²	17.8	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-63.7	-42.4	178	180	-96.1	0	0	0	112.5	N556 F558 I570 G577 K578 S579 K583 Q584 V585 L685 L725	N556-F581 HydrophobicContact CB-CD2 4Å; N556-F581 HydrophobicContact CB-CE2 3.78Å; F558-F581 HydrophobicContact CB-CZ 3.95Å; F558-F581 HydrophobicContact CD2-CE1 4.04Å; F558-F581 AromaticContact CD2-CZ 3.76Å; F558-F581 HydrophobicContact CD2-CZ 3.76Å; F558-F581 HydrophobicContact CG-CZ 4.19Å; I570-F581 HydrophobicContact CD1-CD1 3.59Å; I570-F581 HydrophobicContact CD1-CE1 3.69Å; G577-F581 PolarHBondContact O-N 2.71Å; K578-F581 WeakPolarHBondContact O-CB 3.39Å; K578-F581 PolarHBondContact O-N 3.26Å; K578-F581 VanDerWaalsContact O-N 3.15Å; S579-F581 VanDerWaalsContact C-N 3.33Å; S579-F581 PolarHBondContact O-N 3.28Å; F581-K583 PolarHBondContact O-N 3.5Å; F581-Q584 WeakPolarHBondContact O-CB 3.49Å; F581-Q584 PolarHBondContact O-N 3.27Å; F581-V585 HydrophobicContact CE1-CG2 4.11Å; F581-V585 HydrophobicContact CE2-CG2 4.38Å; F581-V585 HydrophobicContact CZ-CG2 3.99Å; F581-V585 PolarHBondContact O-N 3.15Å; F581-V585 VanDerWaalsContact O-N 3.11Å; F581-L685 HydrophobicContact CE1-CD2 4.2Å; F581-L725 HydrophobicContact CE1-CD2 3.88Å; F581-L725 HydrophobicContact CE2-CD2 3.72Å; F581-L725 HydrophobicContact CZ-CD2 3.33Å
582	L	92.1	Very high	88.7	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.4	-46.8	174.7	-86.2	73.3	0	0	0	111.1	I570 K578 S579 Q584 V585 G586 M615 L649 I650 D651 L685 A687	I570-L582 HydrophobicContact CD1-CD1 3.73Å; K578-L582 WeakPolarHBondContact O-CD1 3.31Å; K578-L582 PolarHBondContact O-N 3.01Å; K578-L582 VanDerWaalsContact O-N 3.09Å; S579-L582 PolarHBondContact O-N 3.28Å; L582-Q584 VanDerWaalsContact C-N 3.32Å; L582-Q584 PolarHBondContact O-N 3.35Å; L582-V585 PolarHBondContact O-N 2.96Å; L582-G586 PolarHBondContact O-N 3.03Å; L582-G586 VanDerWaalsContact O-N 3.08Å; L582-M615 HydrophobicContact CB-CE 3.71Å; L582-M615 HydrophobicContact CD2-CE 4.28Å; L582-L649 HydrophobicContact CD2-CB 4.44Å; L582-I650 VanDerWaalsContact CD2-O 3.27Å; L582-I650 WeakPolarHBondContact CD2-O 3.24Å; L582-D651 HydrophobicContact CD2-CB 4.29Å; L582-L685 HydrophobicContact CG-CB 4.17Å; L582-A687 HydrophobicContact CD1-CB 3.65Å; L582-A687 HydrophobicContact CD2-CB 4.02Å
583	K	90.9	Very high	89.2	Confident	42 Å²	42	17.7 Å²	17.7	18%	0.183	11%	0.107	C	C	.	.	H	α-helix	trans	-61.1	-41.3	177.7	-69.3	175.9	-179	-142.7	0	111.8	S209 V210 L211 S579 I580 F581 G586 L587 M615	S209-K583 PolarHBondContact O-NZ 3.24Å; V210-K583 WeakPolarHBondContact O-CD 3.12Å; V210-K583 WeakPolarHBondContact O-CE 3.44Å; V210-K583 WeakPolarHBondContact O-CG 3.37Å; V210-K583 PolarHBondContact O-NZ 3.02Å; L211-K583 HydrophobicContact CD2-CB 4.16Å; L211-K583 HydrophobicContact CD2-CG 4.18Å; S579-K583 VanDerWaalsContact O-CG 3.25Å; S579-K583 WeakPolarHBondContact O-CG 3.36Å; S579-K583 PolarHBondContact O-N 2.97Å; I580-K583 PolarHBondContact O-N 3.43Å; F581-K583 PolarHBondContact O-N 3.5Å; K583-G586 PolarHBondContact O-N 3.35Å; K583-L587 WeakPolarHBondContact O-CB 3.28Å; K583-L587 VanDerWaalsContact O-CG 3.29Å; K583-L587 WeakPolarHBondContact O-CG 3.08Å; K583-L587 PolarHBondContact O-N 3.3Å; K583-M615 HydrophobicContact CD-SD 4.45Å; K583-M615 HydrophobicContact CG-CE 4Å; K583-M615 HydrophobicContact CG-SD 3.81Å
584	Q	92.6	Very high	89.8	Confident	3 Å²	3	17 Å²	17	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-57.2	-51.6	176.5	173.2	-176.1	-43.3	0	0	111.8	G541 H543 I580 F581 L582 G586 L587 I588	G541-Q584 PolarHBondContact O-NE2 2.81Å; H543-Q584 HydrophobicContact CB-CB 4.15Å; H543-Q584 HydrophobicContact CB-CG 4.43Å; I580-Q584 WeakPolarHBondContact O-CB 3.38Å; I580-Q584 PolarHBondContact O-N 3.45Å; F581-Q584 WeakPolarHBondContact O-CB 3.49Å; F581-Q584 PolarHBondContact O-N 3.27Å; L582-Q584 VanDerWaalsContact C-N 3.32Å; L582-Q584 PolarHBondContact O-N 3.35Å; Q584-G586 VanDerWaalsContact C-N 3.33Å; Q584-G586 PolarHBondContact O-N 3.38Å; Q584-L587 PolarHBondContact O-N 3.46Å; Q584-I588 HydrophobicContact CG-CD1 3.86Å; Q584-I588 WeakPolarHBondContact O-CG1 3.43Å; Q584-I588 PolarHBondContact O-N 3.5Å
585	V	93.8	Very high	90.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-43	179.5	175.8	0	0	0	0	110.6	I538 F558 F581 L582 L587 I588 V589 L685	I538-V585 HydrophobicContact CD1-CG1 4.19Å; I538-V585 HydrophobicContact CD1-CG2 4.42Å; F558-V585 HydrophobicContact CB-CG2 4.18Å; F558-V585 HydrophobicContact CD1-CG1 3.92Å; F558-V585 HydrophobicContact CD1-CG2 4.13Å; F558-V585 HydrophobicContact CD2-CG2 4.35Å; F558-V585 HydrophobicContact CE1-CG1 3.87Å; F558-V585 HydrophobicContact CG-CG2 3.95Å; F558-V585 HydrophobicContact CZ-CG1 4.46Å; F581-V585 HydrophobicContact CE1-CG2 4.11Å; F581-V585 HydrophobicContact CE2-CG2 4.38Å; F581-V585 HydrophobicContact CZ-CG2 3.99Å; F581-V585 PolarHBondContact O-N 3.15Å; F581-V585 VanDerWaalsContact O-N 3.11Å; L582-V585 PolarHBondContact O-N 2.96Å; V585-L587 PolarHBondContact O-N 3.46Å; V585-I588 PolarHBondContact O-N 3.4Å; V585-V589 WeakPolarHBondContact O-CG2 3.46Å; V585-V589 PolarHBondContact O-N 3.3Å; V585-V589 VanDerWaalsContact O-N 3.08Å; V585-L685 HydrophobicContact CB-CD2 3.9Å; V585-L685 HydrophobicContact CG1-CD2 3.92Å; V585-L685 HydrophobicContact CG2-CD2 3.91Å
586	G	92.5	Very high	91.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.8	-45.6	175.6	0	0	0	0	0	113.4	L582 K583 Q584 V589 F590	L582-G586 PolarHBondContact O-N 3.03Å; L582-G586 VanDerWaalsContact O-N 3.08Å; K583-G586 PolarHBondContact O-N 3.35Å; Q584-G586 VanDerWaalsContact C-N 3.33Å; Q584-G586 PolarHBondContact O-N 3.38Å; G586-V589 PolarHBondContact O-N 3.34Å; G586-F590 WeakPolarHBondContact O-CB 3.45Å; G586-F590 PolarHBondContact O-N 3.39Å
587	L	93.2	Very high	92	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.9	-41.1	179.4	-74.9	169.2	0	0	0	112.6	L211 L235 H543 P544 K583 Q584 V585 F590 M591	L211-L587 HydrophobicContact CB-CD2 4.04Å; L211-L587 HydrophobicContact CB-CG 4.43Å; L211-L587 HydrophobicContact CD2-CG 4.4Å; L211-L587 WeakPolarHBondContact O-CD2 3.48Å; L235-L587 HydrophobicContact CB-CD2 4.43Å; L235-L587 HydrophobicContact CD1-CD2 4.48Å; L235-L587 HydrophobicContact CD2-CD2 3.87Å; L235-L587 HydrophobicContact CG-CD2 4.48Å; H543-L587 VanDerWaalsContact CE1-CD1 3.47Å; H543-L587 WeakPolarHBondContact CE1-CD1 3.4Å; P544-L587 HydrophobicContact CG-CB 4.23Å; P544-L587 HydrophobicContact CG-CD1 3.97Å; K583-L587 WeakPolarHBondContact O-CB 3.28Å; K583-L587 VanDerWaalsContact O-CG 3.29Å; K583-L587 WeakPolarHBondContact O-CG 3.08Å; K583-L587 PolarHBondContact O-N 3.3Å; Q584-L587 PolarHBondContact O-N 3.46Å; V585-L587 PolarHBondContact O-N 3.46Å; L587-F590 PolarHBondContact O-N 2.89Å; L587-M591 WeakPolarHBondContact O-CB 3.29Å; L587-M591 VanDerWaalsContact O-CG 3.27Å; L587-M591 WeakPolarHBondContact O-CG 3.44Å; L587-M591 PolarHBondContact O-N 3.25Å
588	I	94.6	Very high	92.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.3	-45.8	176.8	-71.3	169	0	0	0	110.6	I538 Q584 V585 M591 A592 V598 P599	I538-I588 HydrophobicContact CD1-CB 4.14Å; I538-I588 HydrophobicContact CD1-CD1 4.16Å; I538-I588 HydrophobicContact CD1-CG2 3.74Å; I538-I588 HydrophobicContact CG1-CG2 4.13Å; I538-I588 HydrophobicContact CG2-CD1 3.85Å; Q584-I588 HydrophobicContact CG-CD1 3.86Å; Q584-I588 WeakPolarHBondContact O-CG1 3.43Å; Q584-I588 PolarHBondContact O-N 3.5Å; V585-I588 PolarHBondContact O-N 3.4Å; I588-M591 PolarHBondContact O-N 3.2Å; I588-A592 WeakPolarHBondContact O-CB 3.4Å; I588-A592 PolarHBondContact O-N 2.99Å; I588-V598 HydrophobicContact CG2-CB 4.09Å; I588-V598 HydrophobicContact CG2-CG1 4.19Å; I588-V598 HydrophobicContact CG2-CG2 4.39Å; I588-V598 WeakPolarHBondContact O-CG1 3.41Å; I588-P599 HydrophobicContact CD1-CG 4.43Å; I588-P599 HydrophobicContact CG1-CG 3.84Å
589	V	94.1	Very high	92.8	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.8	-43	177.2	172.2	0	0	0	0	110.8	I536 V585 G586 A592 L593 V605 V608 I611 L647	I536-V589 HydrophobicContact CD1-CG2 4.27Å; I536-V589 HydrophobicContact CG2-CG2 4.09Å; V585-V589 WeakPolarHBondContact O-CG2 3.46Å; V585-V589 PolarHBondContact O-N 3.3Å; V585-V589 VanDerWaalsContact O-N 3.08Å; G586-V589 PolarHBondContact O-N 3.34Å; V589-A592 PolarHBondContact O-N 3.24Å; V589-L593 HydrophobicContact CG1-CD1 3.75Å; V589-L593 HydrophobicContact CG1-CG 4.49Å; V589-L593 WeakPolarHBondContact O-CD1 3.47Å; V589-L593 VanDerWaalsContact O-CG 3.25Å; V589-L593 WeakPolarHBondContact O-CG 3.29Å; V589-L593 PolarHBondContact O-N 3.48Å; V589-L593 VanDerWaalsContact O-N 3.07Å; V589-V605 HydrophobicContact CB-CG1 4.47Å; V589-V605 HydrophobicContact CG1-CG1 4.17Å; V589-V605 HydrophobicContact CG2-CG1 4.16Å; V589-V608 HydrophobicContact CG1-CB 4.31Å; V589-V608 HydrophobicContact CG1-CG2 3.9Å; V589-I611 HydrophobicContact CG1-CD1 4.36Å; V589-L647 HydrophobicContact CB-CD2 4.08Å; V589-L647 HydrophobicContact CG1-CD2 4.13Å; V589-L647 HydrophobicContact CG2-CD2 4.11Å
590	F	93.8	Very high	93.1	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60	-48	175.7	177.6	-90.5	0	0	0	112.4	I201 Y206 I213 L235 F255 P258 G586 L587 A592 L593 I594 I611	I201-F590 HydrophobicContact CD1-CD2 3.47Å; I201-F590 VanDerWaalsContact CD1-CD2 3.47Å; I201-F590 HydrophobicContact CD1-CE2 3.45Å; I201-F590 VanDerWaalsContact CD1-CE2 3.45Å; Y206-F590 HydrophobicContact CE1-CE2 4.23Å; I213-F590 HydrophobicContact CD1-CD2 3.96Å; I213-F590 HydrophobicContact CD1-CE1 4.38Å; I213-F590 HydrophobicContact CD1-CE2 3.75Å; I213-F590 HydrophobicContact CD1-CG 4.34Å; I213-F590 HydrophobicContact CD1-CZ 3.98Å; I213-F590 HydrophobicContact CG2-CE1 4.11Å; I213-F590 HydrophobicContact CG2-CZ 3.85Å; L235-F590 HydrophobicContact CD2-CD1 3.49Å; L235-F590 VanDerWaalsContact CD2-CD1 3.49Å; L235-F590 HydrophobicContact CD2-CE1 3.6Å; F255-F590 HydrophobicContact CB-CZ 4.11Å; F255-F590 AromaticContact CD1-CE1 3.8Å; F255-F590 HydrophobicContact CD1-CE1 3.8Å; F255-F590 HydrophobicContact CD1-CZ 4.04Å; F255-F590 HydrophobicContact CE1-CE1 4.14Å; F255-F590 HydrophobicContact CG-CE1 4.21Å; F255-F590 HydrophobicContact CG-CZ 4.17Å; F255-F590 WeakPolarHBondContact O-CE2 3.36Å; F255-F590 VanDerWaalsContact O-CZ 3.26Å; F255-F590 WeakPolarHBondContact O-CZ 3.46Å; P258-F590 HydrophobicContact CG-CD2 4.16Å; P258-F590 HydrophobicContact CG-CE2 3.74Å; G586-F590 WeakPolarHBondContact O-CB 3.45Å; G586-F590 PolarHBondContact O-N 3.39Å; L587-F590 PolarHBondContact O-N 2.89Å; F590-A592 VanDerWaalsContact C-N 3.28Å; F590-A592 PolarHBondContact O-N 2.73Å; F590-L593 PolarHBondContact O-N 2.91Å; F590-L593 VanDerWaalsContact O-N 3.09Å; F590-I594 HydrophobicContact CE1-CG2 4.09Å; F590-I594 HydrophobicContact CZ-CG2 4.15Å; F590-I594 PolarHBondContact O-N 2.76Å; F590-I594 VanDerWaalsContact O-N 3.12Å; F590-I611 HydrophobicContact CB-CD1 4.22Å
591	M	93.8	Very high	93.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.3	-37.7	177.3	-74.5	176.8	78.3	0	0	112.1	L235 L239 Y525 P544 L587 I588 I594 G595 S596 D597 V598 P599	L235-M591 HydrophobicContact CD1-CG 4.12Å; L235-M591 HydrophobicContact CD1-SD 3.84Å; L235-M591 HydrophobicContact CD2-CG 4.03Å; L239-M591 HydrophobicContact CD1-CE 4.01Å; L239-M591 HydrophobicContact CD1-CG 4.45Å; L239-M591 HydrophobicContact CD2-CE 4.23Å; Y525-M591 HydrophobicContact CD2-CE 3.93Å; Y525-M591 HydrophobicContact CE2-CE 3.62Å; P544-M591 HydrophobicContact CG-SD 4.28Å; L587-M591 WeakPolarHBondContact O-CB 3.29Å; L587-M591 VanDerWaalsContact O-CG 3.27Å; L587-M591 WeakPolarHBondContact O-CG 3.44Å; L587-M591 PolarHBondContact O-N 3.25Å; I588-M591 PolarHBondContact O-N 3.2Å; M591-I594 WeakPolarHBondContact O-CG1 3.46Å; M591-I594 PolarHBondContact O-N 2.78Å; M591-G595 PolarHBondContact O-N 3.29Å; M591-S596 WeakPolarHBondContact O-CB 3.21Å; M591-S596 PolarHBondContact O-N 2.88Å; M591-D597 WeakPolarHBondContact CE-O 3.46Å; M591-V598 HydrophobicContact CB-CG1 3.9Å; M591-P599 VanDerWaalsContact SD-CD 3.58Å; M591-P599 HydrophobicContact SD-CG 4.22Å
592	A	94	Very high	93.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.3	-38.3	174.9	0	0	0	0	0	112.1	P528 L530 I588 V589 F590 G595 V598 V605	P528-A592 HydrophobicContact CB-CB 4.28Å; P528-A592 HydrophobicContact CG-CB 3.98Å; L530-A592 HydrophobicContact CD2-CB 3.99Å; I588-A592 WeakPolarHBondContact O-CB 3.4Å; I588-A592 PolarHBondContact O-N 2.99Å; V589-A592 PolarHBondContact O-N 3.24Å; F590-A592 VanDerWaalsContact C-N 3.28Å; F590-A592 PolarHBondContact O-N 2.73Å; A592-G595 PolarHBondContact O-N 3.17Å; A592-G595 VanDerWaalsContact O-N 3.11Å; A592-V598 HydrophobicContact CB-CG1 4.11Å; A592-V605 HydrophobicContact CB-CB 4.07Å; A592-V605 HydrophobicContact CB-CG1 4.12Å; A592-V605 HydrophobicContact CB-CG2 4.02Å
593	L	92.4	Very high	93.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-79.6	-11.2	-178.9	-65	165.4	0	0	0	114.6	V199 P258 T259 L265 V589 F590 L607 V608	V199-L593 HydrophobicContact CG1-CD1 4.23Å; V199-L593 HydrophobicContact CG2-CB 4.39Å; V199-L593 HydrophobicContact CG2-CD1 4.04Å; V199-L593 HydrophobicContact CG2-CD2 4.28Å; V199-L593 HydrophobicContact CG2-CG 4.46Å; P258-L593 HydrophobicContact CB-CB 3.95Å; T259-L593 PolarHBondContact N-O 3.4Å; L265-L593 WeakPolarHBondContact CD2-O 3.31Å; V589-L593 HydrophobicContact CG1-CD1 3.75Å; V589-L593 HydrophobicContact CG1-CG 4.49Å; V589-L593 WeakPolarHBondContact O-CD1 3.47Å; V589-L593 VanDerWaalsContact O-CG 3.25Å; V589-L593 WeakPolarHBondContact O-CG 3.29Å; V589-L593 PolarHBondContact O-N 3.48Å; V589-L593 VanDerWaalsContact O-N 3.07Å; F590-L593 PolarHBondContact O-N 2.91Å; F590-L593 VanDerWaalsContact O-N 3.09Å; L593-L607 HydrophobicContact CD2-CD2 4.36Å; L593-V608 HydrophobicContact CD1-CB 4.06Å
594	I	92.1	Very high	93.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-88.7	-10.9	165.1	62.2	170.5	0	0	0	111.8	L239 F255 P258 R268 M516 F590 M591	L239-I594 HydrophobicContact CD1-CD1 4.18Å; F255-I594 HydrophobicContact CD2-CD1 4.21Å; F255-I594 HydrophobicContact CE2-CD1 3.64Å; F255-I594 HydrophobicContact CZ-CD1 3.92Å; P258-I594 HydrophobicContact CB-CG2 4.19Å; R268-I594 WeakPolarHBondContact CD-O 3.39Å; R268-I594 PolarHBondContact NH1-O 3.31Å; M516-I594 HydrophobicContact SD-CD1 4.37Å; F590-I594 HydrophobicContact CE1-CG2 4.09Å; F590-I594 HydrophobicContact CZ-CG2 4.15Å; F590-I594 PolarHBondContact O-N 2.76Å; F590-I594 VanDerWaalsContact O-N 3.12Å; M591-I594 WeakPolarHBondContact O-CG1 3.46Å; M591-I594 PolarHBondContact O-N 2.78Å
595	G	91.4	Very high	93.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	18.5	-177.7	0	0	0	0	0	114	L265 I272 M591 A592	L265-G595 VanDerWaalsContact CD2-N 3.35Å; I272-G595 WeakPolarHBondContact CD1-O 3.49Å; M591-G595 PolarHBondContact O-N 3.29Å; A592-G595 PolarHBondContact O-N 3.17Å; A592-G595 VanDerWaalsContact O-N 3.11Å
596	S	93.6	Very high	93.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.079	C	C	.	.			trans	-85.3	162.5	176.6	-160.8	0	0	0	0	111.5	M591	M591-S596 WeakPolarHBondContact O-CB 3.21Å; M591-S596 PolarHBondContact O-N 2.88Å
597	D	94.9	Very high	93.8	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.027	9%	0.085	C	C	.	.			trans	-73.2	153.2	166	-65.5	-25.9	0	0	0	109.6	I272 S520 S527 M591	I272-D597 WeakPolarHBondContact CG2-OD2 3.1Å; S520-D597 WeakPolarHBondContact OG-CB 3.47Å; S527-D597 WeakPolarHBondContact CA-OD1 2.89Å; S527-D597 VanDerWaalsContact CB-OD1 3.23Å; S527-D597 WeakPolarHBondContact CB-OD1 3.38Å; S527-D597 PolarHBondContact OG-OD1 2.72Å; M591-D597 WeakPolarHBondContact CE-O 3.46Å
598	V	95.4	Very high	93.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-115.3	152	-170	-63.8	0	0	0	0	112.9	Y525 S526 P528 I588 M591 A592 A600 A603	Y525-V598 WeakPolarHBondContact CA-O 3.37Å; Y525-V598 WeakPolarHBondContact CB-O 3.29Å; S526-V598 PolarHBondContact N-O 3.34Å; S526-V598 WeakPolarHBondContact O-CG2 3.31Å; S526-V598 PolarHBondContact O-N 2.93Å; P528-V598 HydrophobicContact CB-CG1 4.29Å; P528-V598 HydrophobicContact CB-CG2 3.97Å; P528-V598 HydrophobicContact CG-CG1 3.96Å; P528-V598 HydrophobicContact CG-CG2 4.29Å; I588-V598 HydrophobicContact CG2-CB 4.09Å; I588-V598 HydrophobicContact CG2-CG1 4.19Å; I588-V598 HydrophobicContact CG2-CG2 4.39Å; I588-V598 WeakPolarHBondContact O-CG1 3.41Å; M591-V598 HydrophobicContact CB-CG1 3.9Å; A592-V598 HydrophobicContact CB-CG1 4.11Å; V598-A600 HydrophobicContact CG2-CB 4.27Å; V598-A600 PolarHBondContact O-N 3.31Å; V598-A603 HydrophobicContact CG2-CB 3.61Å
599	P	94.8	Very high	93.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-75.9	67.1	177.5	32.4	-37.4	0	0	0	111.5	Y525 G541 R542 P544 I588 M591	Y525-P599 HydrophobicContact CD1-CB 3.86Å; Y525-P599 HydrophobicContact CE1-CB 3.56Å; G541-P599 CarbonylContact C-O 3.54Å; G541-P599 WeakPolarHBondContact CA-O 3.36Å; R542-P599 HydrophobicContact CB-CB 4.27Å; R542-P599 PolarHBondContact N-O 2.93Å; R542-P599 VanDerWaalsContact O-CG 3.32Å; R542-P599 WeakPolarHBondContact O-CG 3.48Å; P544-P599 HydrophobicContact CB-CG 4.2Å; P544-P599 HydrophobicContact CG-CG 4.29Å; I588-P599 HydrophobicContact CD1-CG 4.43Å; I588-P599 HydrophobicContact CG1-CG 3.84Å; M591-P599 VanDerWaalsContact SD-CD 3.58Å; M591-P599 HydrophobicContact SD-CG 4.22Å
600	A	94.8	Very high	93.2	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.033	10%	0.095	C	C	.	.	S	Bend	trans	-144.3	166.2	176.6	0	0	0	0	0	110.2	S526 I538 V598 A603	S526-A600 WeakPolarHBondContact CB-O 3.12Å; S526-A600 PolarHBondContact OG-O 3.45Å; I538-A600 HydrophobicContact CG2-CB 3.97Å; V598-A600 HydrophobicContact CG2-CB 4.27Å; V598-A600 PolarHBondContact O-N 3.31Å; A600-A603 HydrophobicContact CB-CB 4.26Å
601	K	94	Very high	93	Very high	135 Å²	135	19.6 Å²	19.6	59%	0.587	10%	0.095	S	C	*	.	S	Bend	trans	-74.1	-47.6	170.1	-176.1	-179.4	174.4	-178.5	0	110.9	S526 T539 Q540	S526-K601 PolarHBondContact OG-O 3.21Å; T539-K601 PolarHBondContact O-N 3.03Å; Q540-K601 HydrophobicContact CB-CB 4.07Å
602	E	95	Very high	92.8	Very high	119 Å²	119	19.9 Å²	19.9	56%	0.556	10%	0.096	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144	140.6	171.5	-52.9	177.4	-174.2	0	0	108.4	T539	T539-E602 PolarHBondContact N-O 2.85Å; T539-E602 WeakPolarHBondContact OG1-CA 3.37Å; T539-E602 VanDerWaalsContact OG1-CB 3.27Å; T539-E602 WeakPolarHBondContact OG1-CB 3.48Å; T539-E602 PolarHBondContact OG1-N 2.92Å; T539-E602 PolarHBondContact OG1-O 3.46Å
603	A	95.4	Very high	92.5	Very high	8 Å²	8	20 Å²	20	7%	0.066	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.3	176	0	0	0	0	0	110.8	P528 K529 A537 V598 A600	P528-A603 CarbonylContact C-O 3.56Å; P528-A603 WeakPolarHBondContact CA-O 3.44Å; P528-A603 HydrophobicContact CB-CB 4.13Å; K529-A603 PolarHBondContact N-O 3.29Å; A537-A603 CarbonylContact O-C 3.55Å; A537-A603 WeakPolarHBondContact O-CA 3.5Å; V598-A603 HydrophobicContact CG2-CB 3.61Å; A600-A603 HydrophobicContact CB-CB 4.26Å
604	E	95.2	Very high	92.3	Very high	73 Å²	73	20.5 Å²	20.5	34%	0.341	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.5	169.5	178.6	170.4	-151.6	0	0	107.5	K529 H533 I536 A537	K529-E604 HydrophobicContact CB-CB 4.39Å; K529-E604 HydrophobicContact CB-CG 4.42Å; K529-E604 CarbonylContact O-C 3.49Å; K529-E604 WeakPolarHBondContact O-CA 3.38Å; H533-E604 IonicContact CE1-OE1 3.64Å; H533-E604 PolarHBondContact CE1-OE1 3.25Å; H533-E604 IonicContact NE2-OE1 2.59Å; H533-E604 PolarHBondContact NE2-OE1 3.43Å; H533-E604 VanDerWaalsContact NE2-OE1 3.15Å; I536-E604 WeakPolarHBondContact CA-O 3.11Å; A537-E604 HydrophobicContact CB-CB 4.32Å; A537-E604 PolarHBondContact N-O 2.88Å; A537-E604 PolarHBondContact O-N 2.82Å
605	V	94.1	Very high	91.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.2	-172.8	-178	0	0	0	0	109.3	K529 L530 A531 V589 A592	K529-V605 PolarHBondContact O-N 3.02Å; L530-V605 HydrophobicContact CD2-CB 4.26Å; A531-V605 PolarHBondContact N-O 3.48Å; V589-V605 HydrophobicContact CB-CG1 4.47Å; V589-V605 HydrophobicContact CG1-CG1 4.17Å; V589-V605 HydrophobicContact CG2-CG1 4.16Å; A592-V605 HydrophobicContact CB-CB 4.07Å; A592-V605 HydrophobicContact CB-CG1 4.12Å; A592-V605 HydrophobicContact CB-CG2 4.02Å
606	G	91.7	Very high	90.4	Very high	4 Å²	4	26.8 Å²	26.8	4%	0.041	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	148	168.9	0	0	0	0	0	112.1	A531 H533 T535 V608	A531-G606 WeakPolarHBondContact O-CA 3.42Å; H533-G606 WeakPolarHBondContact O-CA 3.3Å; T535-G606 WeakPolarHBondContact O-CA 3.23Å; T535-G606 PolarHBondContact O-N 2.76Å; G606-V608 PolarHBondContact O-N 2.9Å; G606-V608 VanDerWaalsContact O-N 3.07Å
607	L	91.4	Very high	88.5	Confident	23 Å²	23	28.2 Å²	28.2	12%	0.12	14%	0.138	C	C	.	.			trans	-65.9	108.3	-179.4	-64.1	170.8	0	0	0	112.5	R260 L262 L265 A531 R532 L593	R260-L607 VanDerWaalsContact NH1-C 3.31Å; R260-L607 PolarHBondContact NH1-O 3.48Å; R260-L607 WeakPolarHBondContact O-CD1 3.32Å; L262-L607 HydrophobicContact CD1-CD1 3.97Å; L262-L607 HydrophobicContact CD2-CD1 3.97Å; L262-L607 HydrophobicContact CD2-CD2 3.75Å; L262-L607 HydrophobicContact CD2-CG 4.09Å; L262-L607 HydrophobicContact CG-CD1 3.72Å; L262-L607 HydrophobicContact CG-CD2 4.27Å; L262-L607 HydrophobicContact CG-CG 4.39Å; L265-L607 HydrophobicContact CD1-CD2 4.03Å; A531-L607 PolarHBondContact O-N 3.36Å; A531-L607 VanDerWaalsContact O-N 3.13Å; R532-L607 HydrophobicContact CG-CD1 4.08Å; L593-L607 HydrophobicContact CD2-CD2 4.36Å
608	V	91.3	Very high	86.5	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.012	18%	0.18	C	C	.	.			trans	-87.3	137.2	179.4	173.8	0	0	0	0	111.9	V199 R260 I536 V589 L593 G606 G610 I611 S645 L647	V199-V608 WeakPolarHBondContact CG2-O 3.29Å; R260-V608 PolarHBondContact NH1-O 2.86Å; I536-V608 HydrophobicContact CD1-CG2 4.3Å; V589-V608 HydrophobicContact CG1-CB 4.31Å; V589-V608 HydrophobicContact CG1-CG2 3.9Å; L593-V608 HydrophobicContact CD1-CB 4.06Å; G606-V608 PolarHBondContact O-N 2.9Å; G606-V608 VanDerWaalsContact O-N 3.07Å; V608-G610 WeakPolarHBondContact CG1-O 3.44Å; V608-I611 HydrophobicContact CG1-CG1 4.25Å; V608-S645 WeakPolarHBondContact CA-O 3.31Å; V608-S645 WeakPolarHBondContact CG1-O 3.4Å; V608-L647 HydrophobicContact CG1-CB 3.86Å; V608-L647 HydrophobicContact CG2-CB 4.46Å
609	D	88.8	Confident	84.4	Confident	35 Å²	35	43.9 Å²	43.9	19%	0.187	20%	0.201	C	C	.	.	S	Bend	trans	-91.4	-29.9	-175	69.9	-30.8	0	0	0	112.9	V199 Y200 R260 T643 S645 S646	V199-D609 CarbonylContact C-O 3.59Å; V199-D609 WeakPolarHBondContact CA-O 3.44Å; Y200-D609 PolarHBondContact N-O 2.92Å; R260-D609 VanDerWaalsContact CZ-CB 3.49Å; D609-T643 PolarHBondContact OD1-OG1 3.41Å; D609-T643 WeakPolarHBondContact OD2-CB 3.41Å; D609-T643 WeakPolarHBondContact OD2-CG2 3.47Å; D609-T643 PolarHBondContact OD2-OG1 2.94Å; D609-S645 PolarHBondContact N-O 2.73Å; D609-S646 WeakPolarHBondContact OD1-CA 3.35Å; D609-S646 VanDerWaalsContact OD1-CB 3.28Å; D609-S646 WeakPolarHBondContact OD1-CB 3.32Å; D609-S646 PolarHBondContact OD1-N 2.72Å; D609-S646 PolarHBondContact OD1-OG 3.28Å; D609-S646 PolarHBondContact OD2-OG 2.86Å
610	G	88.5	Confident	82.2	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	151.8	166.5	0	0	0	0	0	114	Y200 V608 S646 L647	Y200-G610 CarbonylContact O-C 3.59Å; Y200-G610 WeakPolarHBondContact O-CA 3.25Å; V608-G610 WeakPolarHBondContact CG1-O 3.44Å; G610-S646 WeakPolarHBondContact O-CA 3.5Å; G610-L647 PolarHBondContact O-N 3.39Å
611	I	90.9	Very high	79.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.1	172.7	-55.3	176.5	0	0	0	107.3	Y200 I201 D202 T205 V589 F590 V608 T613 L647	Y200-I611 PolarHBondContact O-N 3.41Å; I201-I611 HydrophobicContact CD1-CD1 4.44Å; I201-I611 HydrophobicContact CG1-CB 4.42Å; D202-I611 PolarHBondContact N-O 3.33Å; T205-I611 HydrophobicContact CG2-CG2 4.17Å; V589-I611 HydrophobicContact CG1-CD1 4.36Å; F590-I611 HydrophobicContact CB-CD1 4.22Å; V608-I611 HydrophobicContact CG1-CG1 4.25Å; I611-T613 HydrophobicContact CG2-CG2 4.25Å; I611-L647 CarbonylContact C-O 3.3Å; I611-L647 WeakPolarHBondContact CA-O 3.41Å; I611-L647 HydrophobicContact CG1-CB 4.47Å; I611-L647 HydrophobicContact CG1-CD2 4.49Å; I611-L647 HydrophobicContact CG2-CD2 4.39Å
612	F	89.8	Confident	77.6	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.3	178.5	-60	-86.1	0	0	0	109.1	Y200 A638 L647 V648 L649	Y200-F612 HydrophobicContact CD1-CD1 4.24Å; Y200-F612 AromaticContact CD1-CE1 3.5Å; Y200-F612 HydrophobicContact CD1-CE1 3.5Å; Y200-F612 AromaticContact CD1-CZ 3.71Å; Y200-F612 HydrophobicContact CD1-CZ 3.71Å; Y200-F612 AromaticContact CE1-CD1 3.99Å; Y200-F612 HydrophobicContact CE1-CD1 3.99Å; Y200-F612 AromaticContact CE1-CE1 3.39Å; Y200-F612 HydrophobicContact CE1-CE1 3.39Å; Y200-F612 HydrophobicContact CE1-CZ 4.09Å; F612-A638 HydrophobicContact CB-CB 4.05Å; F612-A638 HydrophobicContact CG-CB 4.43Å; F612-L647 PolarHBondContact N-O 3.06Å; F612-V648 HydrophobicContact CB-CG1 4.38Å; F612-V648 HydrophobicContact CB-CG2 4.34Å; F612-V648 HydrophobicContact CD2-CG2 4.26Å; F612-V648 CarbonylContact O-C 3.6Å; F612-V648 WeakPolarHBondContact O-CA 3.38Å; F612-L649 PolarHBondContact O-N 3.23Å
613	T	87.7	Confident	75.8	Confident	4 Å²	4	47 Å²	47	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.7	-178.7	59.6	0	0	0	0	111.2	T205 V210 I611 L649	T205-T613 WeakPolarHBondContact CA-OG1 3.48Å; T205-T613 HydrophobicContact CG2-CG2 3.65Å; T205-T613 WeakPolarHBondContact OG1-CG2 3.45Å; T205-T613 PolarHBondContact OG1-OG1 2.78Å; V210-T613 HydrophobicContact CG1-CG2 3.9Å; I611-T613 HydrophobicContact CG2-CG2 4.25Å; T613-L649 CarbonylContact C-O 3.38Å; T613-L649 WeakPolarHBondContact CA-O 3.37Å; T613-L649 HydrophobicContact CG2-CB 4.19Å; T613-L649 HydrophobicContact CG2-CD1 4.06Å; T613-L649 HydrophobicContact CG2-CG 4.44Å
614	R	86.7	Confident	74	Confident	10 Å²	10	50.1 Å²	50.1	4%	0.038	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	98.6	160.3	-168.8	-54.3	-172.6	140.6	-4.2	106.8	D631 Q634 L649 I650 D651 E652 F653	R614-D631 IonicContact CZ-OD1 2.73Å; R614-D631 IonicContact CZ-OD2 2.64Å; R614-D631 IonicContact NE-OD1 3.8Å; R614-D631 PolarHBondContact NE-OD1 3.08Å; R614-D631 IonicContact NE-OD2 2.64Å; R614-D631 IonicContact NH2-OD1 3.26Å; R614-D631 PolarHBondContact NH2-OD1 3.35Å; R614-D631 IonicContact NH2-OD2 2.64Å; R614-D631 PolarHBondContact NH2-OD2 3.2Å; R614-Q634 HydrophobicContact CB-CB 4.32Å; R614-Q634 HydrophobicContact CG-CB 4.05Å; R614-L649 PolarHBondContact N-O 2.99Å; R614-I650 HydrophobicContact CB-CG2 4.4Å; R614-D651 PolarHBondContact NH1-O 2.82Å; R614-D651 PolarHBondContact O-N 3.09Å; R614-E652 PolarHBondContact NH1-O 3.06Å; R614-E652 PolarHBondContact NH2-O 3.16Å; R614-F653 HydrophobicContact CG-CD2 4.36Å
615	M	78.2	Confident	72.6	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.02	28%	0.28	C	S	.	.			trans	-132.2	146.1	170.6	-59.2	-168.9	-176.6	0	0	109.5	V210 L582 K583 S617 L649 D651	V210-M615 HydrophobicContact CG1-CB 4.08Å; V210-M615 HydrophobicContact CG1-CG 3.97Å; V210-M615 HydrophobicContact CG1-SD 3.69Å; V210-M615 HydrophobicContact CG2-CB 4.14Å; L582-M615 HydrophobicContact CB-CE 3.71Å; L582-M615 HydrophobicContact CD2-CE 4.28Å; K583-M615 HydrophobicContact CD-SD 4.45Å; K583-M615 HydrophobicContact CG-CE 4Å; K583-M615 HydrophobicContact CG-SD 3.81Å; M615-S617 PolarHBondContact O-N 3.42Å; M615-S617 VanDerWaalsContact O-N 3.09Å; M615-L649 HydrophobicContact CE-CB 3.83Å; M615-L649 HydrophobicContact CE-CD1 4.14Å; M615-D651 HydrophobicContact CB-CB 4.37Å; M615-D651 HydrophobicContact CG-CB 3.85Å
616	Q	65.6	Low	71.4	Confident	130 Å²	130	53.8 Å²	53.8	61%	0.607	30%	0.303	S	S	*	.			trans	-62.7	112.3	-170.9	-164.2	170.8	15.6	0	0	111.6
617	S	54.5	Low	70.6	Confident	29 Å²	29	56.8 Å²	56.8	20%	0.203	32%	0.321	C	S	.	.			trans	-84	141.1	171.2	69.6	0	0	0	0	109.9	M615 E619	M615-S617 PolarHBondContact O-N 3.42Å; M615-S617 VanDerWaalsContact O-N 3.09Å; S617-E619 PolarHBondContact O-N 3.34Å
618	R	52.4	Low	70	Confident	243 Å²	243	57.8 Å²	57.8	92%	0.917	32%	0.324	S	S	*	.	S	Bend	trans	-77.4	3.1	179.9	-75	-173	171.1	-173.3	-1.7	113.4
619	E	51.9	Low	69.4	Low	91 Å²	91	61.8 Å²	61.8	43%	0.425	34%	0.344	S	S	.	.			trans	-106.7	24.8	-157.8	-66.5	177.3	-169.5	0	0	114.7	S617 V621 S622	S617-E619 PolarHBondContact O-N 3.34Å; E619-V621 PolarHBondContact O-N 2.85Å; E619-V621 VanDerWaalsContact O-N 3.16Å; E619-S622 PolarHBondContact O-N 3.01Å
620	S	47.7	Very low	68.9	Low	37 Å²	37	61.2 Å²	61.2	26%	0.259	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-22.2	-176.7	59.8	0	0	0	0	114.7	T627	S620-T627 VanDerWaalsContact CB-CG2 3.42Å; S620-T627 WeakPolarHBondContact OG-CG2 3.46Å
621	V	44.9	Very low	68.5	Low	135 Å²	135	61.8 Å²	61.8	82%	0.818	34%	0.343	S	S	*	.	H	α-helix	trans	-74.7	-34.3	-178.2	-175.2	0	0	0	0	111.6	E619	E619-V621 PolarHBondContact O-N 2.85Å; E619-V621 VanDerWaalsContact O-N 3.16Å
622	S	48.6	Very low	68.2	Low	68 Å²	68	64.3 Å²	64.3	48%	0.476	36%	0.357	S	S	.	.	H	α-helix	trans	-78.9	-23.4	-173.1	-49.2	0	0	0	0	113.6	E619	E619-S622 PolarHBondContact O-N 3.01Å
623	V	56.5	Low	67.8	Low	84 Å²	84	67.8 Å²	67.8	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-97.9	-11	-171.3	-173.8	0	0	0	0	112.7	L625	V623-L625 HydrophobicContact CG1-CD1 4.13Å; V623-L625 HydrophobicContact CG1-CG 4.29Å; V623-L625 PolarHBondContact O-N 2.85Å; V623-L625 VanDerWaalsContact O-N 3.15Å
624	G	57.7	Low	67.6	Low	74 Å²	74	68 Å²	68	76%	0.763	38%	0.376	S	S	*	.			trans	67.9	8.8	178.6	0	0	0	0	0	115.2
625	L	64.8	Low	67.6	Low	80 Å²	80	67.8 Å²	67.8	42%	0.419	38%	0.375	S	S	.	.	S	Bend	trans	-103.7	150.8	174.6	-66.7	176.3	0	0	0	110.7	V623 I630	V623-L625 HydrophobicContact CG1-CD1 4.13Å; V623-L625 HydrophobicContact CG1-CG 4.29Å; V623-L625 PolarHBondContact O-N 2.85Å; V623-L625 VanDerWaalsContact O-N 3.15Å; L625-I630 HydrophobicContact CB-CD1 4.19Å; L625-I630 HydrophobicContact CB-CG1 3.86Å; L625-I630 HydrophobicContact CD1-CG1 4.4Å
626	S	70.5	Confident	68	Low	70 Å²	70	69.4 Å²	69.4	49%	0.49	39%	0.39	S	S	.	.			trans	-67.2	145.9	172.9	71.5	0	0	0	0	110.5	F628 M629 I630	S626-F628 PolarHBondContact O-N 2.95Å; S626-M629 WeakPolarHBondContact O-CB 3.29Å; S626-M629 PolarHBondContact O-N 3.06Å; S626-M629 VanDerWaalsContact OG-CB 3.26Å; S626-M629 WeakPolarHBondContact OG-CB 3.48Å; S626-M629 PolarHBondContact OG-N 3.21Å; S626-M629 VanDerWaalsContact OG-N 3.16Å; S626-I630 PolarHBondContact O-N 3.15Å
627	T	74.3	Confident	68.9	Low	67 Å²	67	65.4 Å²	65.4	41%	0.411	37%	0.372	S	S	.	.	H	α-helix	trans	-51.2	-43.5	176.3	46.9	0	0	0	0	111.7	S620 M629 I630 D631	S620-T627 VanDerWaalsContact CB-CG2 3.42Å; S620-T627 WeakPolarHBondContact OG-CG2 3.46Å; T627-M629 PolarHBondContact O-N 3.25Å; T627-I630 PolarHBondContact O-N 3.42Å; T627-D631 PolarHBondContact O-N 2.9Å
628	F	79.6	Confident	70.4	Confident	44 Å²	44	64.3 Å²	64.3	19%	0.193	37%	0.365	C	S	.	.	H	α-helix	trans	-65.7	-35.7	177.4	-175.3	-115.8	0	0	0	113.3	S626 D631 L632 T657 L665	S626-F628 PolarHBondContact O-N 2.95Å; F628-D631 WeakPolarHBondContact O-CB 3.5Å; F628-D631 PolarHBondContact O-N 3.18Å; F628-L632 HydrophobicContact CD1-CD1 3.88Å; F628-L632 HydrophobicContact CD1-CG 4.43Å; F628-L632 HydrophobicContact CE1-CD1 3.44Å; F628-L632 VanDerWaalsContact CE1-CD1 3.44Å; F628-L632 HydrophobicContact CE1-CG 4.07Å; F628-L632 HydrophobicContact CE2-CD2 4.44Å; F628-L632 HydrophobicContact CE2-CG 4.27Å; F628-L632 HydrophobicContact CZ-CD1 3.8Å; F628-L632 HydrophobicContact CZ-CD2 4.09Å; F628-L632 HydrophobicContact CZ-CG 3.97Å; F628-L632 WeakPolarHBondContact O-CG 3.39Å; F628-L632 PolarHBondContact O-N 2.75Å; F628-T657 HydrophobicContact CD2-CG2 4.09Å; F628-T657 HydrophobicContact CE2-CG2 3.52Å; F628-T657 HydrophobicContact CZ-CG2 3.82Å; F628-L665 HydrophobicContact CZ-CD1 3.9Å
629	M	78.6	Confident	72.1	Confident	85 Å²	85	54.2 Å²	54.2	42%	0.419	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-40.3	176.1	-172	65.3	71.2	0	0	111.5	S626 T627 D631 L632 N633	S626-M629 WeakPolarHBondContact O-CB 3.29Å; S626-M629 PolarHBondContact O-N 3.06Å; S626-M629 VanDerWaalsContact OG-CB 3.26Å; S626-M629 WeakPolarHBondContact OG-CB 3.48Å; S626-M629 PolarHBondContact OG-N 3.21Å; S626-M629 VanDerWaalsContact OG-N 3.16Å; T627-M629 PolarHBondContact O-N 3.25Å; M629-D631 VanDerWaalsContact C-N 3.32Å; M629-D631 PolarHBondContact O-N 3.14Å; M629-L632 PolarHBondContact O-N 2.81Å; M629-N633 PolarHBondContact O-N 2.96Å
630	I	77	Confident	73.7	Confident	23 Å²	23	56.2 Å²	56.2	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-46.2	174.8	-63.3	168.1	0	0	0	109.8	L625 S626 T627 L632 N633 Q634	L625-I630 HydrophobicContact CB-CD1 4.19Å; L625-I630 HydrophobicContact CB-CG1 3.86Å; L625-I630 HydrophobicContact CD1-CG1 4.4Å; S626-I630 PolarHBondContact O-N 3.15Å; T627-I630 PolarHBondContact O-N 3.42Å; I630-L632 VanDerWaalsContact C-N 3.33Å; I630-L632 PolarHBondContact O-N 3.39Å; I630-N633 PolarHBondContact O-N 2.82Å; I630-Q634 PolarHBondContact O-N 3.3Å
631	D	80.8	Confident	75.4	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-59	-42.2	176.7	-67.2	-37.3	0	0	0	113	R614 T627 F628 M629 M635 F653	R614-D631 IonicContact CZ-OD1 2.73Å; R614-D631 IonicContact CZ-OD2 2.64Å; R614-D631 IonicContact NE-OD1 3.8Å; R614-D631 PolarHBondContact NE-OD1 3.08Å; R614-D631 IonicContact NE-OD2 2.64Å; R614-D631 IonicContact NH2-OD1 3.26Å; R614-D631 PolarHBondContact NH2-OD1 3.35Å; R614-D631 IonicContact NH2-OD2 2.64Å; R614-D631 PolarHBondContact NH2-OD2 3.2Å; T627-D631 PolarHBondContact O-N 2.9Å; F628-D631 WeakPolarHBondContact O-CB 3.5Å; F628-D631 PolarHBondContact O-N 3.18Å; M629-D631 VanDerWaalsContact C-N 3.32Å; M629-D631 PolarHBondContact O-N 3.14Å; D631-M635 VanDerWaalsContact O-CB 3.31Å; D631-M635 WeakPolarHBondContact O-CB 3.46Å; D631-M635 PolarHBondContact O-N 2.85Å; D631-F653 HydrophobicContact CB-CD2 4.42Å; D631-F653 HydrophobicContact CB-CE2 4.31Å
632	L	84.5	Confident	77.4	Confident	54 Å²	54	50.8 Å²	50.8	28%	0.283	31%	0.311	S	S	.	.	H	α-helix	trans	-66.4	-40.6	177.4	-77.3	176.2	0	0	0	112	F628 M629 I630 M635 A636 F653 L665	F628-L632 HydrophobicContact CD1-CD1 3.88Å; F628-L632 HydrophobicContact CD1-CG 4.43Å; F628-L632 HydrophobicContact CE1-CD1 3.44Å; F628-L632 VanDerWaalsContact CE1-CD1 3.44Å; F628-L632 HydrophobicContact CE1-CG 4.07Å; F628-L632 HydrophobicContact CE2-CD2 4.44Å; F628-L632 HydrophobicContact CE2-CG 4.27Å; F628-L632 HydrophobicContact CZ-CD1 3.8Å; F628-L632 HydrophobicContact CZ-CD2 4.09Å; F628-L632 HydrophobicContact CZ-CG 3.97Å; F628-L632 WeakPolarHBondContact O-CG 3.39Å; F628-L632 PolarHBondContact O-N 2.75Å; M629-L632 PolarHBondContact O-N 2.81Å; I630-L632 VanDerWaalsContact C-N 3.33Å; I630-L632 PolarHBondContact O-N 3.39Å; L632-M635 PolarHBondContact O-N 3.31Å; L632-A636 VanDerWaalsContact O-CB 3.26Å; L632-A636 WeakPolarHBondContact O-CB 3.44Å; L632-A636 PolarHBondContact O-N 2.88Å; L632-F653 HydrophobicContact CD2-CE2 4.43Å; L632-F653 HydrophobicContact CD2-CZ 4.05Å; L632-L665 HydrophobicContact CD2-CD1 4.47Å
633	N	82.3	Confident	79.3	Confident	79 Å²	79	50.3 Å²	50.3	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-45.3	177.9	-73.6	-16.8	0	0	0	111.5	M629 I630 M635 A636 L637	M629-N633 PolarHBondContact O-N 2.96Å; I630-N633 PolarHBondContact O-N 2.82Å; N633-M635 VanDerWaalsContact C-N 3.32Å; N633-M635 PolarHBondContact O-N 2.91Å; N633-A636 PolarHBondContact O-N 3.2Å; N633-L637 WeakPolarHBondContact O-CG 3.44Å; N633-L637 PolarHBondContact O-N 2.89Å
634	Q	82.6	Confident	80.7	Confident	9 Å²	9	46.4 Å²	46.4	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-44.1	174.1	-72.8	178.1	-9.5	0	0	111.6	D204 R614 I630 L637 A638	D204-Q634 PolarHBondContact OD2-NE2 3.48Å; R614-Q634 HydrophobicContact CB-CB 4.32Å; R614-Q634 HydrophobicContact CG-CB 4.05Å; I630-Q634 PolarHBondContact O-N 3.3Å; Q634-L637 PolarHBondContact O-N 3.31Å; Q634-A638 PolarHBondContact O-N 3.16Å; Q634-A638 VanDerWaalsContact O-N 3.08Å
635	M	87.3	Confident	82.2	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.02	25%	0.25	C	S	.	.	H	α-helix	trans	-66.6	-38.7	178.1	-166.7	65.3	-177.8	0	0	112.1	D631 L632 N633 A638 L639 I650 F653 W673	D631-M635 VanDerWaalsContact O-CB 3.31Å; D631-M635 WeakPolarHBondContact O-CB 3.46Å; D631-M635 PolarHBondContact O-N 2.85Å; L632-M635 PolarHBondContact O-N 3.31Å; N633-M635 VanDerWaalsContact C-N 3.32Å; N633-M635 PolarHBondContact O-N 2.91Å; M635-A638 PolarHBondContact O-N 2.97Å; M635-L639 HydrophobicContact CE-CD1 4.29Å; M635-L639 HydrophobicContact CE-CD2 4.41Å; M635-L639 HydrophobicContact CE-CG 4.3Å; M635-L639 HydrophobicContact CG-CD1 3.99Å; M635-L639 HydrophobicContact CG-CG 4.48Å; M635-L639 WeakPolarHBondContact O-CB 3.36Å; M635-L639 VanDerWaalsContact O-CG 3.27Å; M635-L639 WeakPolarHBondContact O-CG 3.46Å; M635-L639 PolarHBondContact O-N 3.01Å; M635-I650 HydrophobicContact CE-CD1 4Å; M635-I650 HydrophobicContact SD-CD1 4.09Å; M635-F653 HydrophobicContact CB-CD2 4.3Å; M635-F653 HydrophobicContact CB-CE2 3.71Å; M635-F653 HydrophobicContact CB-CZ 4.1Å; M635-F653 HydrophobicContact CG-CD2 4.39Å; M635-F653 HydrophobicContact CG-CE1 4.36Å; M635-F653 HydrophobicContact CG-CE2 3.91Å; M635-F653 HydrophobicContact CG-CZ 3.9Å; M635-W673 HydrophobicContact CE-CH2 3.34Å; M635-W673 HydrophobicContact CE-CZ2 4.2Å; M635-W673 HydrophobicContact CE-CZ3 3.87Å; M635-W673 HydrophobicContact SD-CH2 4.25Å
636	A	86.9	Confident	83.5	Confident	39 Å²	39	39.9 Å²	39.9	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-42.9	176.4	0	0	0	0	0	111.6	L632 N633 A638 L639 N640	L632-A636 VanDerWaalsContact O-CB 3.26Å; L632-A636 WeakPolarHBondContact O-CB 3.44Å; L632-A636 PolarHBondContact O-N 2.88Å; N633-A636 PolarHBondContact O-N 3.2Å; A636-A638 PolarHBondContact O-N 2.85Å; A636-L639 PolarHBondContact O-N 2.93Å; A636-N640 VanDerWaalsContact O-CB 3.29Å; A636-N640 WeakPolarHBondContact O-CB 3.27Å; A636-N640 VanDerWaalsContact O-CG 3.25Å; A636-N640 PolarHBondContact O-N 3.35Å; A636-N640 PolarHBondContact O-ND2 2.91Å
637	L	82.9	Confident	84.6	Confident	46 Å²	46	36.5 Å²	36.5	24%	0.241	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-47.1	173.8	-73.4	170.4	0	0	0	111.3	N633 Q634 S641	N633-L637 WeakPolarHBondContact O-CG 3.44Å; N633-L637 PolarHBondContact O-N 2.89Å; Q634-L637 PolarHBondContact O-N 3.31Å; L637-S641 WeakPolarHBondContact O-CB 3.4Å; L637-S641 PolarHBondContact O-N 2.96Å; L637-S641 PolarHBondContact O-OG 2.91Å; L637-S641 VanDerWaalsContact O-OG 3.06Å
638	A	87.2	Confident	85.5	Confident	6 Å²	6	33.4 Å²	33.4	5%	0.05	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-43.1	176.9	0	0	0	0	0	112.1	F612 Q634 M635 A636 S642 V648	F612-A638 HydrophobicContact CB-CB 4.05Å; F612-A638 HydrophobicContact CG-CB 4.43Å; Q634-A638 PolarHBondContact O-N 3.16Å; Q634-A638 VanDerWaalsContact O-N 3.08Å; M635-A638 PolarHBondContact O-N 2.97Å; A636-A638 PolarHBondContact O-N 2.85Å; A638-S642 WeakPolarHBondContact O-CB 3.41Å; A638-S642 PolarHBondContact O-N 3.29Å; A638-S642 VanDerWaalsContact O-N 3.1Å; A638-S642 PolarHBondContact O-OG 3.07Å; A638-V648 HydrophobicContact CB-CG1 4Å
639	L	88.1	Confident	86.1	Confident	30 Å²	30	31.3 Å²	31.3	16%	0.157	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-41.1	-179.4	-73.8	165.6	0	0	0	112.8	M635 A636 F672 W673	M635-L639 HydrophobicContact CE-CD1 4.29Å; M635-L639 HydrophobicContact CE-CD2 4.41Å; M635-L639 HydrophobicContact CE-CG 4.3Å; M635-L639 HydrophobicContact CG-CD1 3.99Å; M635-L639 HydrophobicContact CG-CG 4.48Å; M635-L639 WeakPolarHBondContact O-CB 3.36Å; M635-L639 VanDerWaalsContact O-CG 3.27Å; M635-L639 WeakPolarHBondContact O-CG 3.46Å; M635-L639 PolarHBondContact O-N 3.01Å; A636-L639 PolarHBondContact O-N 2.93Å; L639-F672 HydrophobicContact CD2-CD1 3.61Å; L639-F672 HydrophobicContact CD2-CE1 4.2Å; L639-F672 HydrophobicContact CD2-CG 4.4Å; L639-W673 HydrophobicContact CD2-CD2 4.21Å; L639-W673 HydrophobicContact CD2-CH2 4.09Å; L639-W673 HydrophobicContact CD2-CZ2 3.51Å; L639-W673 HydrophobicContact CG-CZ2 4.05Å
640	N	85.4	Confident	86.8	Confident	134 Å²	134	27.3 Å²	27.3	72%	0.717	16%	0.159	S	C	*	.	H	α-helix	trans	-81.9	-34.1	-175.4	-67.3	-24.3	0	0	0	113	A636	A636-N640 VanDerWaalsContact O-CB 3.29Å; A636-N640 WeakPolarHBondContact O-CB 3.27Å; A636-N640 VanDerWaalsContact O-CG 3.25Å; A636-N640 PolarHBondContact O-N 3.35Å; A636-N640 PolarHBondContact O-ND2 2.91Å
641	S	83.3	Confident	87.4	Confident	51 Å²	51	26.9 Å²	26.9	36%	0.357	16%	0.158	S	C	.	.	H	α-helix	trans	-102.7	-13.4	-172.5	-46.5	0	0	0	0	113.9	L637 T643	L637-S641 WeakPolarHBondContact O-CB 3.4Å; L637-S641 PolarHBondContact O-N 2.96Å; L637-S641 PolarHBondContact O-OG 2.91Å; L637-S641 VanDerWaalsContact O-OG 3.06Å; S641-T643 PolarHBondContact O-N 3.4Å
642	S	86.6	Confident	87.6	Confident	7 Å²	7	27.6 Å²	27.6	5%	0.049	16%	0.16	C	C	.	.			trans	-69	131.5	178	55.6	0	0	0	0	112.5	A638 W673 K676	A638-S642 WeakPolarHBondContact O-CB 3.41Å; A638-S642 PolarHBondContact O-N 3.29Å; A638-S642 VanDerWaalsContact O-N 3.1Å; A638-S642 PolarHBondContact O-OG 3.07Å; S642-W673 PolarHBondContact OG-NE1 3.41Å; S642-K676 PolarHBondContact O-NZ 2.96Å
643	T	87.8	Confident	87.6	Confident	58 Å²	58	25.1 Å²	25.1	36%	0.356	15%	0.147	S	C	.	.			trans	-108.5	174.7	170.2	86.4	0	0	0	0	110.5	D609 S641 S645 S646 P682	D609-T643 PolarHBondContact OD1-OG1 3.41Å; D609-T643 WeakPolarHBondContact OD2-CB 3.41Å; D609-T643 WeakPolarHBondContact OD2-CG2 3.47Å; D609-T643 PolarHBondContact OD2-OG1 2.94Å; S641-T643 PolarHBondContact O-N 3.4Å; T643-S645 PolarHBondContact O-N 2.99Å; T643-S645 PolarHBondContact OG1-N 2.89Å; T643-S646 PolarHBondContact N-OG 2.98Å; T643-S646 WeakPolarHBondContact O-CB 3.34Å; T643-S646 PolarHBondContact O-N 3.43Å; T643-S646 PolarHBondContact O-OG 3.15Å; T643-P682 WeakPolarHBondContact O-CB 3.34Å
644	G	86.3	Confident	87.4	Confident	2 Å²	2	21.3 Å²	21.3	2%	0.021	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-10.5	177.3	0	0	0	0	0	115.9	R566 V679 D680	R566-G644 PolarHBondContact NH1-O 3.5Å; G644-V679 VanDerWaalsContact CA-O 3.31Å; G644-V679 WeakPolarHBondContact CA-O 3.24Å; G644-D680 VanDerWaalsContact CA-C 3.48Å; G644-D680 PolarHBondContact N-O 3.4Å
645	S	89.1	Confident	87.3	Confident	15 Å²	15	25.2 Å²	25.2	11%	0.105	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	7.1	174.6	-47.3	0	0	0	0	112.5	R534 V608 D609 T643	R534-S645 PolarHBondContact NE-OG 3.47Å; R534-S645 VanDerWaalsContact NE-OG 3.14Å; V608-S645 WeakPolarHBondContact CA-O 3.31Å; V608-S645 WeakPolarHBondContact CG1-O 3.4Å; D609-S645 PolarHBondContact N-O 2.73Å; T643-S645 PolarHBondContact O-N 2.99Å; T643-S645 PolarHBondContact OG1-N 2.89Å
646	S	92.1	Very high	86.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	16%	0.164	C	C	.	.			trans	-84.9	151.3	-177.3	-54.1	0	0	0	0	112.1	D609 G610 T643 P682 H683	D609-S646 WeakPolarHBondContact OD1-CA 3.35Å; D609-S646 VanDerWaalsContact OD1-CB 3.28Å; D609-S646 WeakPolarHBondContact OD1-CB 3.32Å; D609-S646 PolarHBondContact OD1-N 2.72Å; D609-S646 PolarHBondContact OD1-OG 3.28Å; D609-S646 PolarHBondContact OD2-OG 2.86Å; G610-S646 WeakPolarHBondContact O-CA 3.5Å; T643-S646 PolarHBondContact N-OG 2.98Å; T643-S646 WeakPolarHBondContact O-CB 3.34Å; T643-S646 PolarHBondContact O-N 3.43Å; T643-S646 PolarHBondContact O-OG 3.15Å; S646-P682 WeakPolarHBondContact O-CB 3.43Å; S646-H683 PolarHBondContact O-N 3.45Å
647	L	93.3	Very high	86.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.6	169.3	179.3	64.8	0	0	0	109.1	I536 V589 V608 G610 I611 F612 L649 H683 L685	I536-L647 HydrophobicContact CD1-CD1 4.28Å; V589-L647 HydrophobicContact CB-CD2 4.08Å; V589-L647 HydrophobicContact CG1-CD2 4.13Å; V589-L647 HydrophobicContact CG2-CD2 4.11Å; V608-L647 HydrophobicContact CG1-CB 3.86Å; V608-L647 HydrophobicContact CG2-CB 4.46Å; G610-L647 PolarHBondContact O-N 3.39Å; I611-L647 CarbonylContact C-O 3.3Å; I611-L647 WeakPolarHBondContact CA-O 3.41Å; I611-L647 HydrophobicContact CG1-CB 4.47Å; I611-L647 HydrophobicContact CG1-CD2 4.49Å; I611-L647 HydrophobicContact CG2-CD2 4.39Å; F612-L647 PolarHBondContact N-O 3.06Å; L647-L649 HydrophobicContact CD1-CD2 4.04Å; L647-L649 HydrophobicContact CD2-CD2 4.32Å; L647-L649 HydrophobicContact CG-CD2 4.06Å; L647-L649 HydrophobicContact CG-CG 4.33Å; L647-H683 CarbonylContact C-O 3.49Å; L647-H683 WeakPolarHBondContact CA-O 3.29Å; L647-H683 HydrophobicContact CD1-CB 3.97Å; L647-L685 HydrophobicContact CD1-CD1 3.69Å
648	V	93.8	Very high	86.5	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119	179.7	-172.5	0	0	0	0	108.8	F612 A638 I650 W673 P682 H683 V684 L685	F612-V648 HydrophobicContact CB-CG1 4.38Å; F612-V648 HydrophobicContact CB-CG2 4.34Å; F612-V648 HydrophobicContact CD2-CG2 4.26Å; F612-V648 CarbonylContact O-C 3.6Å; F612-V648 WeakPolarHBondContact O-CA 3.38Å; A638-V648 HydrophobicContact CB-CG1 4Å; V648-I650 HydrophobicContact CG1-CD1 4.01Å; V648-I650 HydrophobicContact CG1-CG1 3.84Å; V648-W673 HydrophobicContact CG1-CH2 4.21Å; V648-W673 HydrophobicContact CG1-CZ2 4.28Å; V648-P682 HydrophobicContact CG2-CB 4.12Å; V648-P682 HydrophobicContact CG2-CG 4.36Å; V648-H683 PolarHBondContact N-O 3.15Å; V648-V684 HydrophobicContact CB-CG1 4.48Å; V648-V684 HydrophobicContact CB-CG2 4.21Å; V648-V684 HydrophobicContact CG2-CG2 4.5Å; V648-V684 WeakPolarHBondContact O-CA 3.48Å; V648-L685 PolarHBondContact O-N 2.85Å
649	L	92.9	Very high	86.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.2	178.3	-52.7	178	0	0	0	109.1	L211 L582 F612 T613 R614 M615 L647 L685	L211-L649 HydrophobicContact CD2-CD1 4.39Å; L582-L649 HydrophobicContact CD2-CB 4.44Å; F612-L649 PolarHBondContact O-N 3.23Å; T613-L649 CarbonylContact C-O 3.38Å; T613-L649 WeakPolarHBondContact CA-O 3.37Å; T613-L649 HydrophobicContact CG2-CB 4.19Å; T613-L649 HydrophobicContact CG2-CD1 4.06Å; T613-L649 HydrophobicContact CG2-CG 4.44Å; R614-L649 PolarHBondContact N-O 2.99Å; M615-L649 HydrophobicContact CE-CB 3.83Å; M615-L649 HydrophobicContact CE-CD1 4.14Å; L647-L649 HydrophobicContact CD1-CD2 4.04Å; L647-L649 HydrophobicContact CD2-CD2 4.32Å; L647-L649 HydrophobicContact CG-CD2 4.06Å; L647-L649 HydrophobicContact CG-CG 4.33Å; L649-L685 HydrophobicContact CD2-CB 3.93Å; L649-L685 HydrophobicContact CD2-CD1 4.05Å; L649-L685 HydrophobicContact CD2-CD2 4.2Å; L649-L685 HydrophobicContact CD2-CG 4.29Å
650	I	91.9	Very high	86	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.8	-175.7	-50.9	169.1	0	0	0	108.4	L582 R614 M635 V648 F653 W673 V684 L685 L686 A687	L582-I650 VanDerWaalsContact CD2-O 3.27Å; L582-I650 WeakPolarHBondContact CD2-O 3.24Å; R614-I650 HydrophobicContact CB-CG2 4.4Å; M635-I650 HydrophobicContact CE-CD1 4Å; M635-I650 HydrophobicContact SD-CD1 4.09Å; V648-I650 HydrophobicContact CG1-CD1 4.01Å; V648-I650 HydrophobicContact CG1-CG1 3.84Å; I650-F653 HydrophobicContact CG2-CB 3.66Å; I650-W673 HydrophobicContact CD1-CH2 3.46Å; I650-W673 VanDerWaalsContact CD1-CH2 3.46Å; I650-W673 HydrophobicContact CD1-CZ3 3.65Å; I650-V684 HydrophobicContact CD1-CG1 3.97Å; I650-L685 PolarHBondContact N-O 2.83Å; I650-L686 HydrophobicContact CB-CD1 3.62Å; I650-L686 HydrophobicContact CD1-CD1 4.3Å; I650-L686 HydrophobicContact CG2-CD1 3.46Å; I650-L686 VanDerWaalsContact CG2-CD1 3.46Å; I650-L686 CarbonylContact O-C 3.47Å; I650-L686 WeakPolarHBondContact O-CA 3.38Å; I650-A687 PolarHBondContact O-N 3Å
651	D	89.7	Confident	86.1	Confident	15 Å²	15	35 Å²	35	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	108.5	178.7	-168.3	23.1	0	0	0	110.3	S579 L582 R614 M615 A687	S579-D651 WeakPolarHBondContact CB-OD2 3.48Å; S579-D651 VanDerWaalsContact OG-CG 3.3Å; S579-D651 PolarHBondContact OG-OD1 2.99Å; S579-D651 PolarHBondContact OG-OD2 3.45Å; L582-D651 HydrophobicContact CD2-CB 4.29Å; R614-D651 PolarHBondContact NH1-O 2.82Å; R614-D651 PolarHBondContact O-N 3.09Å; M615-D651 HydrophobicContact CB-CB 4.37Å; M615-D651 HydrophobicContact CG-CB 3.85Å; D651-A687 WeakPolarHBondContact OD1-CB 3.35Å
652	E	85	Confident	86.2	Confident	27 Å²	27	32.6 Å²	32.6	13%	0.126	19%	0.192	C	C	.	.	S	Bend	trans	61.9	47.1	170.3	-61.6	-173.7	143.2	0	0	115.9	R614 K655 A687 N689	R614-E652 PolarHBondContact NH1-O 3.06Å; R614-E652 PolarHBondContact NH2-O 3.16Å; E652-K655 HydrophobicContact CB-CD 3.88Å; E652-K655 HydrophobicContact CB-CG 4.39Å; E652-K655 VanDerWaalsContact CD-CE 3.42Å; E652-K655 IonicContact OE1-NZ 3.56Å; E652-K655 PolarHBondContact OE1-NZ 2.99Å; E652-K655 WeakPolarHBondContact OE2-CE 3.49Å; E652-K655 IonicContact OE2-NZ 3.49Å; E652-K655 PolarHBondContact OE2-NZ 3.33Å; E652-A687 PolarHBondContact N-O 3.22Å; E652-N689 PolarHBondContact OE1-ND2 2.77Å
653	F	84.8	Confident	86.3	Confident	2 Å²	2	33 Å²	33	1%	0.009	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	141.3	178.3	178.2	-101.4	0	0	0	112.9	R614 D631 L632 M635 I650 L665 L666 F690	R614-F653 HydrophobicContact CG-CD2 4.36Å; D631-F653 HydrophobicContact CB-CD2 4.42Å; D631-F653 HydrophobicContact CB-CE2 4.31Å; L632-F653 HydrophobicContact CD2-CE2 4.43Å; L632-F653 HydrophobicContact CD2-CZ 4.05Å; M635-F653 HydrophobicContact CB-CD2 4.3Å; M635-F653 HydrophobicContact CB-CE2 3.71Å; M635-F653 HydrophobicContact CB-CZ 4.1Å; M635-F653 HydrophobicContact CG-CD2 4.39Å; M635-F653 HydrophobicContact CG-CE1 4.36Å; M635-F653 HydrophobicContact CG-CE2 3.91Å; M635-F653 HydrophobicContact CG-CZ 3.9Å; I650-F653 HydrophobicContact CG2-CB 3.66Å; F653-L665 HydrophobicContact CE1-CB 4.1Å; F653-L666 HydrophobicContact CB-CD1 4.22Å; F653-L666 HydrophobicContact CD1-CB 4.16Å; F653-L666 HydrophobicContact CD1-CD1 3.91Å; F653-F690 WeakPolarHBondContact O-CE2 3.31Å
654	G	79.3	Confident	86.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	9.8	176.7	0	0	0	0	0	115.9
655	K	78.8	Confident	86.5	Confident	90 Å²	90	36.3 Å²	36.3	39%	0.391	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.5	177.7	-75.6	-168.9	172.6	-174.6	0	115.3	E652 T657 N689	E652-K655 HydrophobicContact CB-CD 3.88Å; E652-K655 HydrophobicContact CB-CG 4.39Å; E652-K655 VanDerWaalsContact CD-CE 3.42Å; E652-K655 IonicContact OE1-NZ 3.56Å; E652-K655 PolarHBondContact OE1-NZ 2.99Å; E652-K655 WeakPolarHBondContact OE2-CE 3.49Å; E652-K655 IonicContact OE2-NZ 3.49Å; E652-K655 PolarHBondContact OE2-NZ 3.33Å; K655-T657 PolarHBondContact O-N 3.27Å; K655-N689 PolarHBondContact NZ-ND2 2.83Å
656	G	75	Confident	86.5	Confident	44 Å²	44	35.6 Å²	35.6	45%	0.454	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	6.3	-175.2	0	0	0	0	0	115.4
657	T	81.9	Confident	86.4	Confident	46 Å²	46	35.9 Å²	35.9	28%	0.282	21%	0.211	S	C	.	.	S	Bend	trans	-138.8	-177.1	-175.4	-170	0	0	0	0	110.6	F628 K655 T659 D661	F628-T657 HydrophobicContact CD2-CG2 4.09Å; F628-T657 HydrophobicContact CE2-CG2 3.52Å; F628-T657 HydrophobicContact CZ-CG2 3.82Å; K655-T657 PolarHBondContact O-N 3.27Å; T657-T659 PolarHBondContact O-N 3.19Å; T657-D661 HydrophobicContact CG2-CB 4.36Å
658	N	83.8	Confident	86.3	Confident	111 Å²	111	38.7 Å²	38.7	59%	0.594	23%	0.234	S	C	*	.			trans	-50.5	134.7	171.8	-71.9	-30.2	0	0	0	110.4	V660 D661 G662	N658-V660 PolarHBondContact O-N 3.47Å; N658-V660 VanDerWaalsContact O-N 3.15Å; N658-D661 HydrophobicContact CB-CB 4.14Å; N658-D661 WeakPolarHBondContact CB-OD2 3.4Å; N658-D661 PolarHBondContact ND2-OD2 3.3Å; N658-D661 VanDerWaalsContact ND2-OD2 3.1Å; N658-D661 PolarHBondContact O-N 3.33Å; N658-D661 VanDerWaalsContact O-N 3.07Å; N658-G662 PolarHBondContact O-N 3.23Å
659	T	80.6	Confident	86.2	Confident	91 Å²	91	39.2 Å²	39.2	56%	0.558	24%	0.237	S	C	*	.	H	α-helix	trans	-58.3	-33.9	-175.2	50.8	0	0	0	0	113.1	T657 L663	T657-T659 PolarHBondContact O-N 3.19Å; T659-L663 WeakPolarHBondContact O-CB 3.41Å; T659-L663 PolarHBondContact O-N 2.91Å
660	V	84.8	Confident	86.1	Confident	99 Å²	99	39.2 Å²	39.2	60%	0.6	24%	0.237	S	C	*	.	H	α-helix	trans	-71.1	-44.7	177	-177.2	0	0	0	0	111.3	N658 L663 S664	N658-V660 PolarHBondContact O-N 3.47Å; N658-V660 VanDerWaalsContact O-N 3.15Å; V660-L663 PolarHBondContact O-N 3.1Å; V660-S664 WeakPolarHBondContact O-CB 3.45Å; V660-S664 PolarHBondContact O-N 3.34Å; V660-S664 PolarHBondContact O-OG 2.92Å
661	D	87.1	Confident	85.9	Confident	74 Å²	74	40.3 Å²	40.3	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-67	-42.9	178.8	-60.8	-26.1	0	0	0	110.7	T657 N658 S664 L665	T657-D661 HydrophobicContact CG2-CB 4.36Å; N658-D661 HydrophobicContact CB-CB 4.14Å; N658-D661 WeakPolarHBondContact CB-OD2 3.4Å; N658-D661 PolarHBondContact ND2-OD2 3.3Å; N658-D661 VanDerWaalsContact ND2-OD2 3.1Å; N658-D661 PolarHBondContact O-N 3.33Å; N658-D661 VanDerWaalsContact O-N 3.07Å; D661-S664 WeakPolarHBondContact CA-OG 3.45Å; D661-S664 PolarHBondContact O-N 3.31Å; D661-S664 PolarHBondContact O-OG 3.26Å; D661-L665 WeakPolarHBondContact O-CB 3.43Å; D661-L665 VanDerWaalsContact O-CG 3.3Å; D661-L665 WeakPolarHBondContact O-CG 3.35Å; D661-L665 PolarHBondContact O-N 3.07Å
662	G	86.6	Confident	86	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-44.7	175.2	0	0	0	0	0	113	N658 L666	N658-G662 PolarHBondContact O-N 3.23Å; G662-L666 WeakPolarHBondContact O-CB 3.05Å; G662-L666 PolarHBondContact O-N 3.22Å
663	L	87.2	Confident	86.2	Confident	17 Å²	17	43 Å²	43	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-46.1	176.4	175.3	63.2	0	0	0	111.9	T659 V660 L666 A667 F690 L693 L696 L698	T659-L663 WeakPolarHBondContact O-CB 3.41Å; T659-L663 PolarHBondContact O-N 2.91Å; V660-L663 PolarHBondContact O-N 3.1Å; L663-L666 PolarHBondContact O-N 3.38Å; L663-A667 WeakPolarHBondContact O-CB 3.49Å; L663-A667 PolarHBondContact O-N 3.31Å; L663-F690 HydrophobicContact CD1-CB 3.9Å; L663-F690 HydrophobicContact CD1-CD2 4.33Å; L663-F690 HydrophobicContact CD1-CG 4.19Å; L663-L693 HydrophobicContact CD1-CB 3.78Å; L663-L693 HydrophobicContact CD1-CD1 3.65Å; L663-L693 HydrophobicContact CD1-CG 4.35Å; L663-L696 HydrophobicContact CD2-CD1 4.27Å; L663-L698 HydrophobicContact CD1-CD1 4.37Å; L663-L698 HydrophobicContact CD2-CD1 4Å; L663-L698 HydrophobicContact CG-CD1 4.03Å
664	S	88.1	Confident	86.4	Confident	59 Å²	59	44.2 Å²	44.2	41%	0.413	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-42.1	-178.6	59.2	0	0	0	0	112	V660 D661 L666 A667 A668	V660-S664 WeakPolarHBondContact O-CB 3.45Å; V660-S664 PolarHBondContact O-N 3.34Å; V660-S664 PolarHBondContact O-OG 2.92Å; D661-S664 WeakPolarHBondContact CA-OG 3.45Å; D661-S664 PolarHBondContact O-N 3.31Å; D661-S664 PolarHBondContact O-OG 3.26Å; S664-L666 PolarHBondContact O-N 3.23Å; S664-A667 PolarHBondContact O-N 3.38Å; S664-A668 VanDerWaalsContact O-CB 3.26Å; S664-A668 WeakPolarHBondContact O-CB 3.27Å; S664-A668 PolarHBondContact O-N 2.8Å
665	L	90	Very high	86.7	Confident	69 Å²	69	52.9 Å²	52.9	36%	0.361	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-41.3	173.9	-72.8	172.5	0	0	0	112.1	F628 L632 F653 D661 A668 S669	F628-L665 HydrophobicContact CZ-CD1 3.9Å; L632-L665 HydrophobicContact CD2-CD1 4.47Å; F653-L665 HydrophobicContact CE1-CB 4.1Å; D661-L665 WeakPolarHBondContact O-CB 3.43Å; D661-L665 VanDerWaalsContact O-CG 3.3Å; D661-L665 WeakPolarHBondContact O-CG 3.35Å; D661-L665 PolarHBondContact O-N 3.07Å; L665-A668 PolarHBondContact O-N 2.59Å; L665-S669 WeakPolarHBondContact O-CB 3.09Å; L665-S669 PolarHBondContact O-N 2.85Å; L665-S669 PolarHBondContact O-OG 2.96Å
666	L	90.2	Very high	87.1	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-48.6	176.7	-179.2	66.4	0	0	0	111.4	F653 G662 L663 S664 A668 S669 V670 L686 F690 L693	F653-L666 HydrophobicContact CB-CD1 4.22Å; F653-L666 HydrophobicContact CD1-CB 4.16Å; F653-L666 HydrophobicContact CD1-CD1 3.91Å; G662-L666 WeakPolarHBondContact O-CB 3.05Å; G662-L666 PolarHBondContact O-N 3.22Å; L663-L666 PolarHBondContact O-N 3.38Å; S664-L666 PolarHBondContact O-N 3.23Å; L666-A668 VanDerWaalsContact C-N 3.33Å; L666-A668 PolarHBondContact O-N 3.28Å; L666-S669 PolarHBondContact O-N 3.06Å; L666-V670 WeakPolarHBondContact O-CG2 3.39Å; L666-V670 PolarHBondContact O-N 3.08Å; L666-L686 HydrophobicContact CD1-CD1 3.66Å; L666-L686 HydrophobicContact CD1-CD2 3.76Å; L666-L686 HydrophobicContact CD1-CG 4.36Å; L666-L686 HydrophobicContact CD2-CD2 4.24Å; L666-L686 HydrophobicContact CG-CD2 4.2Å; L666-F690 HydrophobicContact CD2-CD2 3.86Å; L666-L693 HydrophobicContact CD2-CD1 4.4Å
667	A	89.9	Confident	87.5	Confident	8 Å²	8	52.9 Å²	52.9	7%	0.066	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-41.7	178.3	0	0	0	0	0	112	L663 S664 S669 S671 L693 L698 L699	L663-A667 WeakPolarHBondContact O-CB 3.49Å; L663-A667 PolarHBondContact O-N 3.31Å; S664-A667 PolarHBondContact O-N 3.38Å; A667-S669 VanDerWaalsContact C-N 3.35Å; A667-S671 VanDerWaalsContact O-CB 3.28Å; A667-S671 WeakPolarHBondContact O-CB 3.24Å; A667-S671 PolarHBondContact O-N 2.93Å; A667-S671 PolarHBondContact O-OG 3.32Å; A667-L693 HydrophobicContact CB-CD1 3.87Å; A667-L698 HydrophobicContact CB-CB 4.16Å; A667-L698 HydrophobicContact CB-CD1 4.39Å; A667-L699 HydrophobicContact CB-CD2 4.48Å
668	A	90.1	Very high	87.4	Confident	58 Å²	58	55.8 Å²	55.8	48%	0.479	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-41.2	175.8	0	0	0	0	0	111.8	S664 L665 L666 S671 F672	S664-A668 VanDerWaalsContact O-CB 3.26Å; S664-A668 WeakPolarHBondContact O-CB 3.27Å; S664-A668 PolarHBondContact O-N 2.8Å; L665-A668 PolarHBondContact O-N 2.59Å; L666-A668 VanDerWaalsContact C-N 3.33Å; L666-A668 PolarHBondContact O-N 3.28Å; A668-S671 PolarHBondContact O-N 2.87Å; A668-F672 WeakPolarHBondContact O-CB 3.32Å; A668-F672 PolarHBondContact O-N 2.75Å
669	S	91.7	Very high	87.3	Confident	12 Å²	12	54.3 Å²	54.3	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-45.2	178.9	-58	0	0	0	0	112.4	L665 L666 A667 S671 F672 W673	L665-S669 WeakPolarHBondContact O-CB 3.09Å; L665-S669 PolarHBondContact O-N 2.85Å; L665-S669 PolarHBondContact O-OG 2.96Å; L666-S669 PolarHBondContact O-N 3.06Å; A667-S669 VanDerWaalsContact C-N 3.35Å; S669-S671 VanDerWaalsContact C-N 3.33Å; S669-S671 PolarHBondContact O-N 3.49Å; S669-F672 WeakPolarHBondContact O-CB 3.4Å; S669-F672 PolarHBondContact O-N 2.83Å; S669-W673 PolarHBondContact O-N 3.32Å
670	V	90.8	Very high	87.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-43	174.9	175.8	0	0	0	0	110.8	I567 L666 F672 W673 L674 L686 L699	I567-V670 HydrophobicContact CG2-CG1 4.24Å; L666-V670 WeakPolarHBondContact O-CG2 3.39Å; L666-V670 PolarHBondContact O-N 3.08Å; V670-F672 VanDerWaalsContact C-N 3.26Å; V670-F672 PolarHBondContact O-N 2.88Å; V670-W673 PolarHBondContact O-N 3.45Å; V670-L674 HydrophobicContact CG1-CD1 3.91Å; V670-L674 HydrophobicContact CG1-CG 4.44Å; V670-L674 WeakPolarHBondContact O-CG 3.19Å; V670-L674 PolarHBondContact O-N 2.87Å; V670-L686 HydrophobicContact CG2-CD2 3.77Å; V670-L699 HydrophobicContact CB-CD2 3.82Å; V670-L699 HydrophobicContact CG1-CD1 4.03Å; V670-L699 HydrophobicContact CG1-CD2 3.71Å
671	S	89.4	Confident	87.6	Confident	24 Å²	24	48.9 Å²	48.9	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-32.1	176.6	-61.5	0	0	0	0	112.7	A667 A668 S669 L674 K675	A667-S671 VanDerWaalsContact O-CB 3.28Å; A667-S671 WeakPolarHBondContact O-CB 3.24Å; A667-S671 PolarHBondContact O-N 2.93Å; A667-S671 PolarHBondContact O-OG 3.32Å; A668-S671 PolarHBondContact O-N 2.87Å; S669-S671 VanDerWaalsContact C-N 3.33Å; S669-S671 PolarHBondContact O-N 3.49Å; S671-L674 PolarHBondContact O-N 3.35Å; S671-K675 WeakPolarHBondContact O-CB 3.45Å; S671-K675 VanDerWaalsContact O-CG 3.25Å; S671-K675 WeakPolarHBondContact O-CG 3.31Å; S671-K675 PolarHBondContact O-N 3.47Å
672	F	90.4	Very high	87.9	Confident	98 Å²	98	45.4 Å²	45.4	43%	0.43	25%	0.25	S	C	.	.	H	α-helix	trans	-63.4	-45.7	175.6	176.6	-98.5	0	0	0	111.6	L639 A668 S669 V670 K675	L639-F672 HydrophobicContact CD2-CD1 3.61Å; L639-F672 HydrophobicContact CD2-CE1 4.2Å; L639-F672 HydrophobicContact CD2-CG 4.4Å; A668-F672 WeakPolarHBondContact O-CB 3.32Å; A668-F672 PolarHBondContact O-N 2.75Å; S669-F672 WeakPolarHBondContact O-CB 3.4Å; S669-F672 PolarHBondContact O-N 2.83Å; V670-F672 VanDerWaalsContact C-N 3.26Å; V670-F672 PolarHBondContact O-N 2.88Å; F672-K675 PolarHBondContact O-N 3.39Å
673	W	90.2	Very high	88.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-41.4	174.4	-69.4	-51.9	0	0	0	112.6	I567 M635 L639 S642 V648 I650 S669 V670 K675 K676 P682 V684	I567-W673 HydrophobicContact CD1-CB 3.83Å; M635-W673 HydrophobicContact CE-CH2 3.34Å; M635-W673 HydrophobicContact CE-CZ2 4.2Å; M635-W673 HydrophobicContact CE-CZ3 3.87Å; M635-W673 HydrophobicContact SD-CH2 4.25Å; L639-W673 HydrophobicContact CD2-CD2 4.21Å; L639-W673 HydrophobicContact CD2-CH2 4.09Å; L639-W673 HydrophobicContact CD2-CZ2 3.51Å; L639-W673 HydrophobicContact CG-CZ2 4.05Å; S642-W673 PolarHBondContact OG-NE1 3.41Å; V648-W673 HydrophobicContact CG1-CH2 4.21Å; V648-W673 HydrophobicContact CG1-CZ2 4.28Å; I650-W673 HydrophobicContact CD1-CH2 3.46Å; I650-W673 VanDerWaalsContact CD1-CH2 3.46Å; I650-W673 HydrophobicContact CD1-CZ3 3.65Å; S669-W673 PolarHBondContact O-N 3.32Å; V670-W673 PolarHBondContact O-N 3.45Å; W673-K675 PolarHBondContact O-N 2.97Å; W673-K676 WeakPolarHBondContact O-CB 3.35Å; W673-K676 PolarHBondContact O-N 3.17Å; W673-K676 VanDerWaalsContact O-N 3.11Å; W673-P682 HydrophobicContact CG-CG 4.18Å; W673-V684 HydrophobicContact CD2-CG2 4.13Å; W673-V684 HydrophobicContact CE3-CG1 4.19Å; W673-V684 HydrophobicContact CE3-CG2 3.98Å; W673-V684 HydrophobicContact CH2-CG1 4.48Å; W673-V684 HydrophobicContact CZ3-CG1 3.88Å; W673-V684 HydrophobicContact CZ3-CG2 4.33Å
674	L	88	Confident	88.5	Confident	29 Å²	29	44.7 Å²	44.7	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-23.3	179	-70.2	172.4	0	0	0	113.7	I567 V670 S671 P700 M704 L705	I567-L674 HydrophobicContact CD1-CD2 3.62Å; I567-L674 HydrophobicContact CD1-CG 3.78Å; I567-L674 HydrophobicContact CG1-CD2 4.41Å; V670-L674 HydrophobicContact CG1-CD1 3.91Å; V670-L674 HydrophobicContact CG1-CG 4.44Å; V670-L674 WeakPolarHBondContact O-CG 3.19Å; V670-L674 PolarHBondContact O-N 2.87Å; S671-L674 PolarHBondContact O-N 3.35Å; L674-P700 HydrophobicContact CD1-CG 3.84Å; L674-M704 HydrophobicContact CD2-CB 4.02Å; L674-L705 HydrophobicContact CD1-CD2 4.35Å
675	K	87.1	Confident	88.8	Confident	181 Å²	181	41.9 Å²	41.9	79%	0.787	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.5	174.8	-77.1	173.5	-178.1	-179.7	0	113.5	S671 F672 W673	S671-K675 WeakPolarHBondContact O-CB 3.45Å; S671-K675 VanDerWaalsContact O-CG 3.25Å; S671-K675 WeakPolarHBondContact O-CG 3.31Å; S671-K675 PolarHBondContact O-N 3.47Å; F672-K675 PolarHBondContact O-N 3.39Å; W673-K675 PolarHBondContact O-N 2.97Å
676	K	85.7	Confident	89	Confident	52 Å²	52	38.6 Å²	38.6	23%	0.226	21%	0.209	C	C	.	.	S	Bend	trans	-68.6	156.3	176.6	-68.4	-170	178.5	-175.7	0	110.4	S642 W673 D680 V681	S642-K676 PolarHBondContact O-NZ 2.96Å; W673-K676 WeakPolarHBondContact O-CB 3.35Å; W673-K676 PolarHBondContact O-N 3.17Å; W673-K676 VanDerWaalsContact O-N 3.11Å; K676-D680 HydrophobicContact CB-CB 4.33Å; K676-D680 HydrophobicContact CD-CB 4.48Å; K676-V681 HydrophobicContact CB-CG2 4.45Å
677	P	83.4	Confident	89	Confident	83 Å²	83	38.6 Å²	38.6	54%	0.539	21%	0.209	S	C	.	.			trans	-53	144.2	169.1	-23.2	33.5	0	0	0	110.8	V679 D680 V681	P677-V679 PolarHBondContact O-N 3.31Å; P677-D680 WeakPolarHBondContact O-CA 3.32Å; P677-D680 PolarHBondContact O-N 3.34Å; P677-V681 PolarHBondContact O-N 3.01Å
678	L	79.8	Confident	88.9	Confident	106 Å²	106	38.3 Å²	38.3	56%	0.555	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-50.4	-36.7	-176.8	-66.3	175.5	0	0	0	113.3	R566 D680 M704	R566-L678 PolarHBondContact NH1-O 3.41Å; L678-D680 VanDerWaalsContact C-N 3.3Å; L678-D680 PolarHBondContact O-N 3.38Å; L678-M704 HydrophobicContact CD2-CE 3.82Å; L678-M704 HydrophobicContact CD2-CG 3.69Å; L678-M704 HydrophobicContact CD2-SD 3.92Å
679	V	81.3	Confident	88.6	Confident	80 Å²	80	37.5 Å²	37.5	49%	0.485	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-60.6	-41.9	177.4	178.3	0	0	0	0	110.5	R534 R566 G644 P677	R534-V679 PolarHBondContact NH1-O 3Å; R566-V679 PolarHBondContact NH1-O 3.12Å; R566-V679 VanDerWaalsContact NH1-O 3.15Å; G644-V679 VanDerWaalsContact CA-O 3.31Å; G644-V679 WeakPolarHBondContact CA-O 3.24Å; P677-V679 PolarHBondContact O-N 3.31Å
680	D	85.3	Confident	88.1	Confident	75 Å²	75	38.5 Å²	38.5	40%	0.401	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-90.5	1.9	-171.7	-61.5	-28.6	0	0	0	114.3	G644 K676 P677 L678 P682	G644-D680 VanDerWaalsContact CA-C 3.48Å; G644-D680 PolarHBondContact N-O 3.4Å; K676-D680 HydrophobicContact CB-CB 4.33Å; K676-D680 HydrophobicContact CD-CB 4.48Å; P677-D680 WeakPolarHBondContact O-CA 3.32Å; P677-D680 PolarHBondContact O-N 3.34Å; L678-D680 VanDerWaalsContact C-N 3.3Å; L678-D680 PolarHBondContact O-N 3.38Å; D680-P682 WeakPolarHBondContact O-CD 3.41Å
681	V	87.9	Confident	87.5	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.208	C	C	.	.			trans	-74.9	118.3	176	-177	0	0	0	0	109.6	R566 I567 K676 P677	R566-V681 HydrophobicContact CB-CG1 4.27Å; R566-V681 WeakPolarHBondContact CD-O 3.38Å; R566-V681 PolarHBondContact NH1-O 3.22Å; I567-V681 HydrophobicContact CD1-CG1 4.13Å; I567-V681 HydrophobicContact CG1-CG1 4.08Å; K676-V681 HydrophobicContact CB-CG2 4.45Å; P677-V681 PolarHBondContact O-N 3.01Å
682	P	92.4	Very high	86.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.			trans	-69.7	165.8	176.9	25.9	-31.5	0	0	0	112.4	R566 T643 S646 V648 W673 D680 V684	R566-P682 WeakPolarHBondContact CB-O 3.3Å; T643-P682 WeakPolarHBondContact O-CB 3.34Å; S646-P682 WeakPolarHBondContact O-CB 3.43Å; V648-P682 HydrophobicContact CG2-CB 4.12Å; V648-P682 HydrophobicContact CG2-CG 4.36Å; W673-P682 HydrophobicContact CG-CG 4.18Å; D680-P682 WeakPolarHBondContact O-CD 3.41Å; P682-V684 HydrophobicContact CB-CG2 4.29Å; P682-V684 HydrophobicContact CG-CG2 3.77Å; P682-V684 PolarHBondContact O-N 3.42Å
683	H	93.6	Very high	86.3	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	111.3	165.2	-63	-78.2	0	0	0	108.8	R534 I536 S560 S646 L647 V648	R534-H683 PolarHBondContact O-CE1 3.25Å; R534-H683 VanDerWaalsContact O-CE1 3.26Å; R534-H683 PolarHBondContact O-NE2 2.86Å; I536-H683 HydrophobicContact CD1-CB 4.17Å; S560-H683 PolarHBondContact OG-ND1 3.25Å; S646-H683 PolarHBondContact O-N 3.45Å; L647-H683 CarbonylContact C-O 3.49Å; L647-H683 WeakPolarHBondContact CA-O 3.29Å; L647-H683 HydrophobicContact CD1-CB 3.97Å; V648-H683 PolarHBondContact N-O 3.15Å
684	V	93.9	Very high	85.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.7	-176.3	-175.6	0	0	0	0	109.8	R566 I567 K568 V648 I650 W673 P682	R566-V684 PolarHBondContact O-N 2.97Å; I567-V684 WeakPolarHBondContact CA-O 3.2Å; I567-V684 HydrophobicContact CB-CB 4.41Å; I567-V684 HydrophobicContact CG1-CB 4.12Å; I567-V684 HydrophobicContact CG1-CG2 4.16Å; I567-V684 HydrophobicContact CG2-CB 4.17Å; I567-V684 HydrophobicContact CG2-CG1 4.45Å; K568-V684 PolarHBondContact N-O 3.06Å; V648-V684 HydrophobicContact CB-CG1 4.48Å; V648-V684 HydrophobicContact CB-CG2 4.21Å; V648-V684 HydrophobicContact CG2-CG2 4.5Å; V648-V684 WeakPolarHBondContact O-CA 3.48Å; I650-V684 HydrophobicContact CD1-CG1 3.97Å; W673-V684 HydrophobicContact CD2-CG2 4.13Å; W673-V684 HydrophobicContact CE3-CG1 4.19Å; W673-V684 HydrophobicContact CE3-CG2 3.98Å; W673-V684 HydrophobicContact CH2-CG1 4.48Å; W673-V684 HydrophobicContact CZ3-CG1 3.88Å; W673-V684 HydrophobicContact CZ3-CG2 4.33Å; P682-V684 HydrophobicContact CB-CG2 4.29Å; P682-V684 HydrophobicContact CG-CG2 3.77Å; P682-V684 PolarHBondContact O-N 3.42Å
685	L	93.8	Very high	84.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.7	168.5	-70	74.2	0	0	0	108.4	F558 F581 L582 V585 L647 V648 L649 I650	F558-L685 HydrophobicContact CD2-CD2 4.32Å; F558-L685 HydrophobicContact CE1-CD1 4.36Å; F558-L685 HydrophobicContact CE2-CD1 4.16Å; F558-L685 HydrophobicContact CE2-CD2 3.66Å; F558-L685 HydrophobicContact CE2-CG 3.85Å; F558-L685 HydrophobicContact CZ-CD1 3.58Å; F558-L685 HydrophobicContact CZ-CD2 3.81Å; F558-L685 HydrophobicContact CZ-CG 3.81Å; F581-L685 HydrophobicContact CE1-CD2 4.2Å; L582-L685 HydrophobicContact CG-CB 4.17Å; V585-L685 HydrophobicContact CB-CD2 3.9Å; V585-L685 HydrophobicContact CG1-CD2 3.92Å; V585-L685 HydrophobicContact CG2-CD2 3.91Å; L647-L685 HydrophobicContact CD1-CD1 3.69Å; V648-L685 PolarHBondContact O-N 2.85Å; L649-L685 HydrophobicContact CD2-CB 3.93Å; L649-L685 HydrophobicContact CD2-CD1 4.05Å; L649-L685 HydrophobicContact CD2-CD2 4.2Å; L649-L685 HydrophobicContact CD2-CG 4.29Å; I650-L685 PolarHBondContact N-O 2.83Å
686	L	93.3	Very high	84.3	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.8	-178.1	172.5	65.2	0	0	0	109.9	K568 V569 I570 I650 L666 V670	K568-L686 PolarHBondContact O-N 2.96Å; V569-L686 CarbonylContact C-O 3.53Å; V569-L686 WeakPolarHBondContact CA-O 3.31Å; V569-L686 HydrophobicContact CG1-CD2 4.39Å; V569-L686 HydrophobicContact CG2-CD2 4.18Å; I570-L686 PolarHBondContact N-O 3.18Å; I650-L686 HydrophobicContact CB-CD1 3.62Å; I650-L686 HydrophobicContact CD1-CD1 4.3Å; I650-L686 HydrophobicContact CG2-CD1 3.46Å; I650-L686 VanDerWaalsContact CG2-CD1 3.46Å; I650-L686 CarbonylContact O-C 3.47Å; I650-L686 WeakPolarHBondContact O-CA 3.38Å; L666-L686 HydrophobicContact CD1-CD1 3.66Å; L666-L686 HydrophobicContact CD1-CD2 3.76Å; L666-L686 HydrophobicContact CD1-CG 4.36Å; L666-L686 HydrophobicContact CD2-CD2 4.24Å; L666-L686 HydrophobicContact CG-CD2 4.2Å; V670-L686 HydrophobicContact CG2-CD2 3.77Å
687	A	91.3	Very high	83.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.4	165.4	0	0	0	0	0	110.1	I570 K578 L582 I650 D651 E652	I570-A687 WeakPolarHBondContact O-CA 3.37Å; K578-A687 HydrophobicContact CB-CB 3.99Å; K578-A687 HydrophobicContact CD-CB 4.46Å; L582-A687 HydrophobicContact CD1-CB 3.65Å; L582-A687 HydrophobicContact CD2-CB 4.02Å; I650-A687 PolarHBondContact O-N 3Å; D651-A687 WeakPolarHBondContact OD1-CB 3.35Å; E652-A687 PolarHBondContact N-O 3.22Å
688	T	88.6	Confident	83.5	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.8	178.1	-172.9	0	0	0	0	112.4	V569 I570 T571 F690	V569-T688 HydrophobicContact CG1-CG2 3.84Å; I570-T688 PolarHBondContact O-N 2.78Å; T571-T688 HydrophobicContact CG2-CG2 4.29Å; T688-F690 PolarHBondContact OG1-N 3.28Å; T688-F690 VanDerWaalsContact OG1-N 3.08Å
689	N	83.1	Confident	83.6	Confident	42 Å²	42	36.8 Å²	36.8	23%	0.225	21%	0.207	C	C	.	.			trans	-96.6	-6.7	170.3	-67.4	-11.6	0	0	0	112.2	N574 K578 E652 K655 H691	N574-N689 PolarHBondContact OD1-ND2 2.71Å; K578-N689 WeakPolarHBondContact CE-OD1 3.04Å; K578-N689 PolarHBondContact NZ-OD1 3.38Å; E652-N689 PolarHBondContact OE1-ND2 2.77Å; K655-N689 PolarHBondContact NZ-ND2 2.83Å; N689-H691 PolarHBondContact O-N 3.04Å; N689-H691 PolarHBondContact O-ND1 2.64Å
690	F	81.7	Confident	83.3	Confident	33 Å²	33	35.7 Å²	35.7	15%	0.145	20%	0.202	C	C	.	.			trans	-74.8	86.5	-178.7	-65.6	-48.1	0	0	0	111.6	F653 L663 L666 T688 S692 L693	F653-F690 WeakPolarHBondContact O-CE2 3.31Å; L663-F690 HydrophobicContact CD1-CB 3.9Å; L663-F690 HydrophobicContact CD1-CD2 4.33Å; L663-F690 HydrophobicContact CD1-CG 4.19Å; L666-F690 HydrophobicContact CD2-CD2 3.86Å; T688-F690 PolarHBondContact OG1-N 3.28Å; T688-F690 VanDerWaalsContact OG1-N 3.08Å; F690-S692 PolarHBondContact O-N 2.64Å; F690-L693 VanDerWaalsContact O-CB 3.29Å; F690-L693 WeakPolarHBondContact O-CB 3.47Å; F690-L693 PolarHBondContact O-N 3.24Å
691	H	77.3	Confident	82.6	Confident	50 Å²	50	39.1 Å²	39.1	23%	0.231	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28	172.9	-73.7	60.5	0	0	0	111.8	N689 L693 M694 Q695 C730	N689-H691 PolarHBondContact O-N 3.04Å; N689-H691 PolarHBondContact O-ND1 2.64Å; H691-L693 PolarHBondContact O-N 3.33Å; H691-M694 WeakPolarHBondContact O-CB 3.42Å; H691-M694 PolarHBondContact O-N 3.07Å; H691-Q695 PolarHBondContact O-N 3.28Å; H691-C730 PolarHBondContact CD2-O 3.26Å; H691-C730 VanDerWaalsContact CD2-O 3.27Å; H691-C730 WeakPolarHBondContact NE2-CB 3.17Å
692	S	75.5	Confident	82.1	Confident	53 Å²	53	41.9 Å²	41.9	37%	0.371	24%	0.243	S	C	.	.	H	α-helix	trans	-58.6	-28.2	176.5	-49	0	0	0	0	113.3	F690 M694 Q695 L696	F690-S692 PolarHBondContact O-N 2.64Å; S692-M694 PolarHBondContact O-N 3.13Å; S692-Q695 PolarHBondContact O-N 3.4Å; S692-L696 WeakPolarHBondContact O-CB 3.07Å; S692-L696 VanDerWaalsContact O-CG 3.29Å; S692-L696 WeakPolarHBondContact O-CG 3.27Å; S692-L696 PolarHBondContact O-N 3.29Å
693	L	79.8	Confident	81.4	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-56.5	-41.3	175.1	-169.5	94.1	0	0	0	111.2	V569 L663 L666 A667 F690 H691 L698 L699	V569-L693 HydrophobicContact CG1-CD2 4.39Å; L663-L693 HydrophobicContact CD1-CB 3.78Å; L663-L693 HydrophobicContact CD1-CD1 3.65Å; L663-L693 HydrophobicContact CD1-CG 4.35Å; L666-L693 HydrophobicContact CD2-CD1 4.4Å; A667-L693 HydrophobicContact CB-CD1 3.87Å; F690-L693 VanDerWaalsContact O-CB 3.29Å; F690-L693 WeakPolarHBondContact O-CB 3.47Å; F690-L693 PolarHBondContact O-N 3.24Å; H691-L693 PolarHBondContact O-N 3.33Å; L693-L698 PolarHBondContact O-N 3.03Å; L693-L699 HydrophobicContact CD2-CD1 3.6Å; L693-L699 HydrophobicContact CD2-CG 4.27Å; L693-L699 HydrophobicContact CG-CD1 4.13Å; L693-L699 HydrophobicContact CG-CG 4.25Å
694	M	76.7	Confident	80.9	Confident	37 Å²	37	46 Å²	46	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-81.2	-45.8	-179.6	-61.6	-43.4	-59.5	0	0	111.9	H691 S692 L696 G697 F707 I729	H691-M694 WeakPolarHBondContact O-CB 3.42Å; H691-M694 PolarHBondContact O-N 3.07Å; S692-M694 PolarHBondContact O-N 3.13Å; M694-L696 VanDerWaalsContact C-N 3.3Å; M694-L696 PolarHBondContact O-N 3.05Å; M694-G697 PolarHBondContact O-N 3.4Å; M694-G697 VanDerWaalsContact O-N 3.16Å; M694-F707 HydrophobicContact CE-CD1 3.42Å; M694-F707 VanDerWaalsContact CE-CD1 3.42Å; M694-F707 HydrophobicContact CE-CD2 3.69Å; M694-F707 HydrophobicContact CE-CE1 3.17Å; M694-F707 HydrophobicContact CE-CE2 3.41Å; M694-F707 VanDerWaalsContact CE-CE2 3.41Å; M694-F707 HydrophobicContact CE-CG 3.69Å; M694-F707 HydrophobicContact CE-CZ 3.14Å; M694-F707 HydrophobicContact SD-CD1 3.46Å; M694-F707 WeakPolarHBondContact SD-CD1 3.4Å; M694-F707 HydrophobicContact SD-CE1 3.05Å; M694-F707 WeakPolarHBondContact SD-CE1 3.3Å; M694-F707 HydrophobicContact SD-CE2 4.41Å; M694-F707 HydrophobicContact SD-CG 4.33Å; M694-F707 HydrophobicContact SD-CZ 3.59Å; M694-F707 VanDerWaalsContact SD-CZ 3.59Å; M694-I729 HydrophobicContact CB-CG2 4.11Å; M694-I729 HydrophobicContact CE-CD1 3.49Å; M694-I729 VanDerWaalsContact CE-CD1 3.49Å; M694-I729 HydrophobicContact CE-CG1 4.07Å; M694-I729 HydrophobicContact CG-CG2 4.03Å
695	Q	72.4	Confident	80.7	Confident	131 Å²	131	46.9 Å²	46.9	61%	0.612	28%	0.283	S	S	*	.	H	α-helix	trans	-65.2	-34.7	-176.8	-166.8	-177.4	-5.7	0	0	112.6	H691 S692 G697	H691-Q695 PolarHBondContact O-N 3.28Å; S692-Q695 PolarHBondContact O-N 3.4Å; Q695-G697 VanDerWaalsContact C-N 3.35Å
696	L	73.9	Confident	80.5	Confident	113 Å²	113	47.9 Å²	47.9	59%	0.592	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.3	178.4	-64	172	0	0	0	113.1	L663 S692 M694 L698	L663-L696 HydrophobicContact CD2-CD1 4.27Å; S692-L696 WeakPolarHBondContact O-CB 3.07Å; S692-L696 VanDerWaalsContact O-CG 3.29Å; S692-L696 WeakPolarHBondContact O-CG 3.27Å; S692-L696 PolarHBondContact O-N 3.29Å; M694-L696 VanDerWaalsContact C-N 3.3Å; M694-L696 PolarHBondContact O-N 3.05Å; L696-L698 VanDerWaalsContact C-N 3.28Å; L696-L698 HydrophobicContact CB-CD1 4.28Å; L696-L698 HydrophobicContact CB-CD2 4.2Å; L696-L698 HydrophobicContact CB-CG 3.82Å; L696-L698 HydrophobicContact CD1-CD1 4.29Å; L696-L698 PolarHBondContact O-N 3.12Å
697	G	75.6	Confident	80.3	Confident	55 Å²	55	50 Å²	50	57%	0.567	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	37.7	179.8	0	0	0	0	0	113.4	M694 Q695 L699	M694-G697 PolarHBondContact O-N 3.4Å; M694-G697 VanDerWaalsContact O-N 3.16Å; Q695-G697 VanDerWaalsContact C-N 3.35Å; G697-L699 PolarHBondContact O-N 2.9Å
698	L	76.8	Confident	80.3	Confident	76 Å²	76	50.5 Å²	50.5	40%	0.398	30%	0.302	S	S	.	.			trans	-72	-12.9	-174.3	-65.1	174.7	0	0	0	113.5	L663 A667 L693 L696	L663-L698 HydrophobicContact CD1-CD1 4.37Å; L663-L698 HydrophobicContact CD2-CD1 4Å; L663-L698 HydrophobicContact CG-CD1 4.03Å; A667-L698 HydrophobicContact CB-CB 4.16Å; A667-L698 HydrophobicContact CB-CD1 4.39Å; L693-L698 PolarHBondContact O-N 3.03Å; L696-L698 VanDerWaalsContact C-N 3.28Å; L696-L698 HydrophobicContact CB-CD1 4.28Å; L696-L698 HydrophobicContact CB-CD2 4.2Å; L696-L698 HydrophobicContact CB-CG 3.82Å; L696-L698 HydrophobicContact CD1-CD1 4.29Å; L696-L698 PolarHBondContact O-N 3.12Å
699	L	81	Confident	80.3	Confident	20 Å²	20	51.3 Å²	51.3	11%	0.105	31%	0.308	C	S	.	.	S	Bend	trans	-105.2	140.8	-178.9	-64.1	-177.7	0	0	0	111.3	A667 V670 L693 G697 L705 F707	A667-L699 HydrophobicContact CB-CD2 4.48Å; V670-L699 HydrophobicContact CB-CD2 3.82Å; V670-L699 HydrophobicContact CG1-CD1 4.03Å; V670-L699 HydrophobicContact CG1-CD2 3.71Å; L693-L699 HydrophobicContact CD2-CD1 3.6Å; L693-L699 HydrophobicContact CD2-CG 4.27Å; L693-L699 HydrophobicContact CG-CD1 4.13Å; L693-L699 HydrophobicContact CG-CG 4.25Å; G697-L699 PolarHBondContact O-N 2.9Å; L699-L705 HydrophobicContact CB-CD2 3.9Å; L699-L705 HydrophobicContact CD1-CD2 3.93Å; L699-F707 HydrophobicContact CD1-CE1 4.43Å; L699-F707 HydrophobicContact CD1-CZ 4.48Å
700	P	75.7	Confident	80.5	Confident	58 Å²	58	49.5 Å²	49.5	38%	0.377	30%	0.298	S	S	.	.			trans	-69.9	135.4	176.9	28.7	-32.5	0	0	0	111	L674 T702	L674-P700 HydrophobicContact CD1-CG 3.84Å; P700-T702 PolarHBondContact O-N 2.73Å; P700-T702 VanDerWaalsContact O-N 3.08Å; P700-T702 PolarHBondContact O-OG1 3.01Å
701	T	71	Confident	80.7	Confident	147 Å²	147	50.9 Å²	50.9	90%	0.902	31%	0.305	S	S	*	.			trans	-70.7	101.2	172.8	13.8	0	0	0	0	109.7
702	T	77.3	Confident	81	Confident	60 Å²	60	49.7 Å²	49.7	37%	0.368	30%	0.301	S	S	.	.			trans	-131.5	147.7	179	44	0	0	0	0	109.4	P700 M704 L705	P700-T702 PolarHBondContact O-N 2.73Å; P700-T702 VanDerWaalsContact O-N 3.08Å; P700-T702 PolarHBondContact O-OG1 3.01Å; T702-M704 PolarHBondContact O-N 3.15Å; T702-L705 PolarHBondContact O-N 3.17Å
703	G	78.3	Confident	81.3	Confident	62 Å²	62	49 Å²	49	64%	0.639	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.3	175.1	0	0	0	0	0	114.2	G565	G565-G703 WeakPolarHBondContact CA-O 3.37Å; G565-G703 PolarHBondContact N-O 2.88Å
704	M	83.2	Confident	81.2	Confident	28 Å²	28	52.2 Å²	52.2	14%	0.138	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.5	175.6	-65.9	-63.8	130.9	0	0	113.7	E562 G565 R566 I567 L674 L678 T702	E562-M704 WeakPolarHBondContact O-CE 3.03Å; G565-M704 CarbonylContact C-O 3.59Å; G565-M704 VanDerWaalsContact CA-C 3.48Å; G565-M704 WeakPolarHBondContact CA-O 3.34Å; R566-M704 PolarHBondContact N-O 2.87Å; I567-M704 PolarHBondContact N-O 3.04Å; L674-M704 HydrophobicContact CD2-CB 4.02Å; L678-M704 HydrophobicContact CD2-CE 3.82Å; L678-M704 HydrophobicContact CD2-CG 3.69Å; L678-M704 HydrophobicContact CD2-SD 3.92Å; T702-M704 PolarHBondContact O-N 3.15Å
705	L	87.9	Confident	81.1	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.3	-175.7	179.9	65	0	0	0	109.8	I567 V569 L674 L699 T702 F707	I567-L705 HydrophobicContact CB-CD1 4.11Å; I567-L705 HydrophobicContact CG2-CD1 3.7Å; I567-L705 WeakPolarHBondContact O-CA 3.3Å; V569-L705 HydrophobicContact CG2-CD1 3.72Å; L674-L705 HydrophobicContact CD1-CD2 4.35Å; L699-L705 HydrophobicContact CB-CD2 3.9Å; L699-L705 HydrophobicContact CD1-CD2 3.93Å; T702-L705 PolarHBondContact O-N 3.17Å; L705-F707 HydrophobicContact CD1-CE1 4.37Å; L705-F707 HydrophobicContact CD1-CZ 4.29Å; L705-F707 HydrophobicContact CD2-CE1 4.26Å; L705-F707 HydrophobicContact CD2-CE2 4.07Å; L705-F707 HydrophobicContact CD2-CZ 3.47Å; L705-F707 VanDerWaalsContact CD2-CZ 3.47Å; L705-F707 HydrophobicContact CG-CE1 4.28Å; L705-F707 HydrophobicContact CG-CE2 4.12Å; L705-F707 HydrophobicContact CG-CZ 3.72Å
706	S	89.6	Confident	80.8	Confident	22 Å²	22	59.7 Å²	59.7	15%	0.154	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.6	170.6	50.9	0	0	0	0	112	E564 I567 K568 V569	E564-S706 PolarHBondContact O-OG 3Å; I567-S706 PolarHBondContact O-N 2.98Å; K568-S706 WeakPolarHBondContact CA-O 3.44Å; K568-S706 WeakPolarHBondContact CD-OG 3.46Å; K568-S706 WeakPolarHBondContact CE-OG 3.42Å; K568-S706 PolarHBondContact NZ-OG 2.73Å; V569-S706 PolarHBondContact N-O 3.41Å
707	F	89.7	Confident	80.5	Confident	43 Å²	43	60.8 Å²	60.8	19%	0.189	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.5	-176.6	-60.6	-71.8	0	0	0	109.3	V569 M694 L699 L705 G728 I729	V569-F707 HydrophobicContact CB-CD1 3.74Å; V569-F707 HydrophobicContact CB-CE1 3.87Å; V569-F707 HydrophobicContact CG1-CD1 4.23Å; V569-F707 HydrophobicContact CG1-CE1 4.33Å; V569-F707 HydrophobicContact CG2-CD1 4.37Å; V569-F707 HydrophobicContact CG2-CE1 4.02Å; V569-F707 WeakPolarHBondContact O-CA 3.28Å; M694-F707 HydrophobicContact CE-CD1 3.42Å; M694-F707 VanDerWaalsContact CE-CD1 3.42Å; M694-F707 HydrophobicContact CE-CD2 3.69Å; M694-F707 HydrophobicContact CE-CE1 3.17Å; M694-F707 HydrophobicContact CE-CE2 3.41Å; M694-F707 VanDerWaalsContact CE-CE2 3.41Å; M694-F707 HydrophobicContact CE-CG 3.69Å; M694-F707 HydrophobicContact CE-CZ 3.14Å; M694-F707 HydrophobicContact SD-CD1 3.46Å; M694-F707 WeakPolarHBondContact SD-CD1 3.4Å; M694-F707 HydrophobicContact SD-CE1 3.05Å; M694-F707 WeakPolarHBondContact SD-CE1 3.3Å; M694-F707 HydrophobicContact SD-CE2 4.41Å; M694-F707 HydrophobicContact SD-CG 4.33Å; M694-F707 HydrophobicContact SD-CZ 3.59Å; M694-F707 VanDerWaalsContact SD-CZ 3.59Å; L699-F707 HydrophobicContact CD1-CE1 4.43Å; L699-F707 HydrophobicContact CD1-CZ 4.48Å; L705-F707 HydrophobicContact CD1-CE1 4.37Å; L705-F707 HydrophobicContact CD1-CZ 4.29Å; L705-F707 HydrophobicContact CD2-CE1 4.26Å; L705-F707 HydrophobicContact CD2-CE2 4.07Å; L705-F707 HydrophobicContact CD2-CZ 3.47Å; L705-F707 VanDerWaalsContact CD2-CZ 3.47Å; L705-F707 HydrophobicContact CG-CE1 4.28Å; L705-F707 HydrophobicContact CG-CE2 4.12Å; L705-F707 HydrophobicContact CG-CZ 3.72Å; F707-G728 CarbonylContact C-O 3.28Å; F707-G728 VanDerWaalsContact C-O 3.28Å; F707-G728 PolarHBondContact O-N 3.12Å; F707-I729 HydrophobicContact CB-CG1 3.84Å; F707-I729 HydrophobicContact CG-CG1 4.13Å
708	L	90.4	Very high	80.2	Confident	11 Å²	11	63.9 Å²	63.9	6%	0.058	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.8	179	-58.2	173.4	0	0	0	108.5	K568 V569 I570 T571 L725 K726 E727 G728	K568-L708 HydrophobicContact CB-CD1 4.05Å; K568-L708 HydrophobicContact CD-CD1 4.25Å; K568-L708 HydrophobicContact CG-CD1 4.32Å; V569-L708 PolarHBondContact O-N 3.07Å; I570-L708 CarbonylContact C-O 3.56Å; I570-L708 WeakPolarHBondContact CA-O 3.37Å; I570-L708 HydrophobicContact CG1-CB 4.08Å; I570-L708 HydrophobicContact CG1-CD1 4.3Å; T571-L708 PolarHBondContact N-O 2.81Å; T571-L708 PolarHBondContact OG1-O 3.23Å; L708-L725 HydrophobicContact CB-CD1 3.97Å; L708-L725 HydrophobicContact CB-CG 4.34Å; L708-L725 HydrophobicContact CD1-CD2 3.97Å; L708-K726 CarbonylContact C-O 3.57Å; L708-K726 WeakPolarHBondContact CA-O 3.39Å; L708-E727 HydrophobicContact CD2-CG 3.94Å; L708-G728 CarbonylContact C-O 3.36Å; L708-G728 PolarHBondContact N-O 2.92Å
709	T	90	Very high	80.2	Confident	19 Å²	19	60.8 Å²	60.8	12%	0.117	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.5	176	-166.2	0	0	0	0	111.5	T571 K726	T571-T709 WeakPolarHBondContact O-CA 3.48Å; T571-T709 PolarHBondContact O-OG1 3.21Å; T709-K726 PolarHBondContact N-O 3.17Å; T709-K726 PolarHBondContact O-N 3.14Å
710	L	87.6	Confident	80.3	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.9	173.8	-72.2	164.7	0	0	0	109.3	T571 S576 K578 Q724 L725	T571-L710 PolarHBondContact O-N 3.2Å; S576-L710 WeakPolarHBondContact O-CD1 2.78Å; K578-L710 HydrophobicContact CB-CD1 4.19Å; K578-L710 HydrophobicContact CG-CD1 3.53Å; K578-L710 VanDerWaalsContact N-CD1 3.3Å; L710-Q724 WeakPolarHBondContact CA-O 3.41Å; L710-L725 HydrophobicContact CD2-CB 4.34Å; L710-L725 HydrophobicContact CD2-CD1 3.96Å; L710-L725 HydrophobicContact CG-CD1 4.3Å
711	E	85.1	Confident	80.7	Confident	61 Å²	61	62.2 Å²	62.2	29%	0.285	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.3	-174.2	-159.2	170.4	-140.1	0	0	111.4	L722 Q724 K726	E711-L722 HydrophobicContact CB-CB 4.38Å; E711-L722 HydrophobicContact CB-CD1 4.34Å; E711-L722 HydrophobicContact CG-CD1 3.93Å; E711-L722 PolarHBondContact O-N 2.74Å; E711-L722 VanDerWaalsContact O-N 3.15Å; E711-Q724 HydrophobicContact CB-CB 4.48Å; E711-Q724 PolarHBondContact N-O 3.04Å; E711-K726 IonicContact OE1-NZ 3.58Å; E711-K726 PolarHBondContact OE1-NZ 3.08Å
712	T	84.1	Confident	81.4	Confident	25 Å²	25	58.3 Å²	58.3	15%	0.153	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.5	177.2	55.7	0	0	0	0	109.5	P573 V720 F721 Y734	P573-T712 HydrophobicContact CG-CG2 3.54Å; T712-V720 WeakPolarHBondContact CA-O 3.38Å; T712-F721 HydrophobicContact CG2-CD1 3.8Å; T712-F721 HydrophobicContact CG2-CE1 4.32Å; T712-Y734 VanDerWaalsContact OG1-CE2 3.24Å; T712-Y734 WeakPolarHBondContact OG1-CE2 3.33Å
713	A	81.7	Confident	81.9	Confident	38 Å²	38	60.4 Å²	60.4	31%	0.314	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	148.9	173.4	0	0	0	0	0	109.5	V720 L722	A713-V720 PolarHBondContact N-O 2.86Å; A713-V720 PolarHBondContact O-N 2.88Å; A713-L722 HydrophobicContact CB-CD1 4.33Å; A713-L722 HydrophobicContact CB-CG 4.44Å
714	V	77.5	Confident	82.4	Confident	70 Å²	70	62.2 Å²	62.2	42%	0.424	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.3	169.6	-177.7	0	0	0	0	106.7	E718 L719 Y734	V714-E718 CarbonylContact C-O 3.59Å; V714-E718 WeakPolarHBondContact CA-O 3.44Å; V714-L719 HydrophobicContact CG2-CD1 3.99Å; V714-Y734 HydrophobicContact CG2-CD1 4.25Å; V714-Y734 HydrophobicContact CG2-CE1 3.8Å
715	D	75.4	Confident	82.7	Confident	98 Å²	98	62.5 Å²	62.5	52%	0.524	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.9	173.6	-172.9	21.9	0	0	0	108.6	D717 E718	D715-D717 VanDerWaalsContact C-N 3.32Å; D715-D717 PolarHBondContact O-N 3.2Å; D715-E718 PolarHBondContact N-O 3.4Å; D715-E718 WeakPolarHBondContact O-CA 3.48Å; D715-E718 WeakPolarHBondContact O-CB 3.26Å; D715-E718 PolarHBondContact O-N 3.43Å
716	R	65.8	Low	82.8	Confident	227 Å²	227	67.3 Å²	67.3	86%	0.857	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	48.2	176.9	-58.7	172.7	-172.3	-162.2	0.3	114.4	E718	R716-E718 PolarHBondContact O-N 2.88Å
717	D	67.8	Low	82.6	Confident	136 Å²	136	73.6 Å²	73.6	73%	0.727	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	-1.2	-175.6	-61.3	-37.4	0	0	0	116.2	D715	D715-D717 VanDerWaalsContact C-N 3.32Å; D715-D717 PolarHBondContact O-N 3.2Å
718	E	69.4	Low	82.3	Confident	120 Å²	120	72.9 Å²	72.9	56%	0.561	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	129.5	170.7	-57.9	-165.3	160.2	0	0	111.2	V714 D715 R716 V720 L741	V714-E718 CarbonylContact C-O 3.59Å; V714-E718 WeakPolarHBondContact CA-O 3.44Å; D715-E718 PolarHBondContact N-O 3.4Å; D715-E718 WeakPolarHBondContact O-CA 3.48Å; D715-E718 WeakPolarHBondContact O-CB 3.26Å; D715-E718 PolarHBondContact O-N 3.43Å; R716-E718 PolarHBondContact O-N 2.88Å; E718-V720 PolarHBondContact O-N 2.67Å; E718-L741 HydrophobicContact CB-CD2 4.2Å; E718-L741 HydrophobicContact CG-CD2 3.95Å
719	L	76.1	Confident	81.7	Confident	11 Å²	11	76 Å²	76	6%	0.058	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.3	174.5	-173.6	73.6	0	0	0	109.5	V714 F721 Y734 I738 L741	V714-L719 HydrophobicContact CG2-CD1 3.99Å; L719-F721 HydrophobicContact CD2-CD1 4.5Å; L719-F721 HydrophobicContact CD2-CE1 3.55Å; L719-F721 HydrophobicContact CD2-CZ 3.69Å; L719-F721 HydrophobicContact CG-CE1 4.12Å; L719-F721 HydrophobicContact CG-CZ 4.33Å; L719-Y734 HydrophobicContact CD1-CD1 3.7Å; L719-Y734 HydrophobicContact CD1-CD2 3.97Å; L719-Y734 HydrophobicContact CD1-CE1 4.13Å; L719-Y734 HydrophobicContact CD1-CE2 4.37Å; L719-Y734 HydrophobicContact CD1-CG 3.6Å; L719-Y734 HydrophobicContact CD2-CG 4.14Å; L719-I738 HydrophobicContact CD2-CD1 4Å; L719-I738 HydrophobicContact CD2-CG1 3.77Å; L719-L741 HydrophobicContact CB-CD1 4.08Å
720	V	81.9	Confident	80.8	Confident	64 Å²	64	75.9 Å²	75.9	39%	0.388	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.7	175.5	-176.3	0	0	0	0	109.5	T712 A713 E718 L722	T712-V720 WeakPolarHBondContact CA-O 3.38Å; A713-V720 PolarHBondContact N-O 2.86Å; A713-V720 PolarHBondContact O-N 2.88Å; E718-V720 PolarHBondContact O-N 2.67Å; V720-L722 HydrophobicContact CG1-CD2 4.46Å
721	F	84.4	Confident	79.6	Confident	44 Å²	44	85 Å²	85	19%	0.193	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.1	174.7	-53.8	-70.3	0	0	0	109.4	P573 T712 L719 Y723	P573-F721 HydrophobicContact CB-CE1 4.11Å; P573-F721 HydrophobicContact CG-CD1 4.27Å; P573-F721 HydrophobicContact CG-CE1 3.78Å; T712-F721 HydrophobicContact CG2-CD1 3.8Å; T712-F721 HydrophobicContact CG2-CE1 4.32Å; L719-F721 HydrophobicContact CD2-CD1 4.5Å; L719-F721 HydrophobicContact CD2-CE1 3.55Å; L719-F721 HydrophobicContact CD2-CZ 3.69Å; L719-F721 HydrophobicContact CG-CE1 4.12Å; L719-F721 HydrophobicContact CG-CZ 4.33Å; F721-Y723 VanDerWaalsContact C-N 3.35Å; F721-Y723 HydrophobicContact CB-CD1 4.34Å; F721-Y723 HydrophobicContact CB-CD2 4.49Å; F721-Y723 HydrophobicContact CB-CE1 3.87Å; F721-Y723 HydrophobicContact CB-CE2 4.05Å; F721-Y723 WeakPolarHBondContact O-CD2 3.39Å; F721-Y723 WeakPolarHBondContact O-CE2 3.45Å
722	L	86.4	Confident	78.4	Confident	64 Å²	64	84.6 Å²	84.6	34%	0.335	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-13	179	-61.7	-179.4	0	0	0	112.6	E711 A713 V720 Q724	E711-L722 HydrophobicContact CB-CB 4.38Å; E711-L722 HydrophobicContact CB-CD1 4.34Å; E711-L722 HydrophobicContact CG-CD1 3.93Å; E711-L722 PolarHBondContact O-N 2.74Å; E711-L722 VanDerWaalsContact O-N 3.15Å; A713-L722 HydrophobicContact CB-CD1 4.33Å; A713-L722 HydrophobicContact CB-CG 4.44Å; V720-L722 HydrophobicContact CG1-CD2 4.46Å; L722-Q724 PolarHBondContact O-N 2.88Å
723	Y	87.4	Confident	77.4	Confident	105 Å²	105	87.5 Å²	87.5	41%	0.412	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.4	16.8	-178.7	-54.1	-72.3	0	0	0	114.5	N556 S576 F721	N556-Y723 PolarHBondContact ND2-O 3.43Å; N556-Y723 PolarHBondContact OD1-O 2.86Å; S576-Y723 WeakPolarHBondContact O-CD1 3.44Å; F721-Y723 VanDerWaalsContact C-N 3.35Å; F721-Y723 HydrophobicContact CB-CD1 4.34Å; F721-Y723 HydrophobicContact CB-CD2 4.49Å; F721-Y723 HydrophobicContact CB-CE1 3.87Å; F721-Y723 HydrophobicContact CB-CE2 4.05Å; F721-Y723 WeakPolarHBondContact O-CD2 3.39Å; F721-Y723 WeakPolarHBondContact O-CE2 3.45Å
724	Q	88.8	Confident	76.9	Confident	99 Å²	99	88.1 Å²	88.1	46%	0.463	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.4	177.3	-68.3	-174	11.8	0	0	111	V554 N556 L710 E711 L722	V554-Q724 HydrophobicContact CG1-CG 3.63Å; N556-Q724 WeakPolarHBondContact OD1-CA 3.38Å; L710-Q724 WeakPolarHBondContact CA-O 3.41Å; E711-Q724 HydrophobicContact CB-CB 4.48Å; E711-Q724 PolarHBondContact N-O 3.04Å; L722-Q724 PolarHBondContact O-N 2.88Å
725	L	90.3	Very high	76.5	Confident	35 Å²	35	88 Å²	88	18%	0.183	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.5	176	-166.7	74.2	0	0	0	110.8	N556 I570 F581 L708 L710	N556-L725 PolarHBondContact OD1-N 3.22Å; I570-L725 HydrophobicContact CG2-CD1 4.33Å; F581-L725 HydrophobicContact CE1-CD2 3.88Å; F581-L725 HydrophobicContact CE2-CD2 3.72Å; F581-L725 HydrophobicContact CZ-CD2 3.33Å; L708-L725 HydrophobicContact CB-CD1 3.97Å; L708-L725 HydrophobicContact CB-CG 4.34Å; L708-L725 HydrophobicContact CD1-CD2 3.97Å; L710-L725 HydrophobicContact CD2-CB 4.34Å; L710-L725 HydrophobicContact CD2-CD1 3.96Å; L710-L725 HydrophobicContact CG-CD1 4.3Å
726	K	88.9	Confident	76.4	Confident	117 Å²	117	84.3 Å²	84.3	51%	0.509	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.7	179.4	-170.1	175	-177.5	172.5	0	110.8	L708 T709 E711	L708-K726 CarbonylContact C-O 3.57Å; L708-K726 WeakPolarHBondContact CA-O 3.39Å; T709-K726 PolarHBondContact N-O 3.17Å; T709-K726 PolarHBondContact O-N 3.14Å; E711-K726 IonicContact OE1-NZ 3.58Å; E711-K726 PolarHBondContact OE1-NZ 3.08Å
727	E	86.3	Confident	76.7	Confident	154 Å²	154	75.8 Å²	75.8	72%	0.72	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.8	170.8	-65.1	-169.8	160.9	0	0	111.1	L708	L708-E727 HydrophobicContact CD2-CG 3.94Å
728	G	83.3	Confident	77.1	Confident	28 Å²	28	72.2 Å²	72.2	29%	0.289	38%	0.381	S	S	.	.	S	Bend	trans	135.3	-170.5	176.7	0	0	0	0	0	113.9	F707 L708	F707-G728 CarbonylContact C-O 3.28Å; F707-G728 VanDerWaalsContact C-O 3.28Å; F707-G728 PolarHBondContact O-N 3.12Å; L708-G728 CarbonylContact C-O 3.36Å; L708-G728 PolarHBondContact N-O 2.92Å
729	I	77.9	Confident	77.6	Confident	77 Å²	77	67.6 Å²	67.6	40%	0.395	36%	0.363	S	S	.	.			trans	-120.1	135.7	-177	-55.8	163.6	0	0	0	107.7	M694 F707 Q731	M694-I729 HydrophobicContact CB-CG2 4.11Å; M694-I729 HydrophobicContact CE-CD1 3.49Å; M694-I729 VanDerWaalsContact CE-CD1 3.49Å; M694-I729 HydrophobicContact CE-CG1 4.07Å; M694-I729 HydrophobicContact CG-CG2 4.03Å; F707-I729 HydrophobicContact CB-CG1 3.84Å; F707-I729 HydrophobicContact CG-CG1 4.13Å; I729-Q731 PolarHBondContact O-N 3.39Å
730	C	70.3	Confident	77.6	Confident	16 Å²	16	69.6 Å²	69.6	11%	0.108	38%	0.381	C	S	.	.			trans	-64.7	117.3	171.4	-175.6	0	0	0	0	109.9	T571 H691 S732	T571-C730 PolarHBondContact OG1-N 2.99Å; H691-C730 PolarHBondContact CD2-O 3.26Å; H691-C730 VanDerWaalsContact CD2-O 3.27Å; H691-C730 WeakPolarHBondContact NE2-CB 3.17Å; C730-S732 PolarHBondContact SG-O 3.47Å
731	Q	62.7	Low	77.3	Confident	196 Å²	196	70.6 Å²	70.6	92%	0.916	38%	0.384	S	S	*	.			trans	-83.7	-18.3	-175	-66.7	-168.4	-8.7	0	0	113.7	I729	I729-Q731 PolarHBondContact O-N 3.39Å
732	S	61.2	Low	77.1	Confident	52 Å²	52	72.2 Å²	72.2	36%	0.364	41%	0.406	S	S	.	.			trans	-140	137.3	-174	51.8	0	0	0	0	113.3	C730 Y734	C730-S732 PolarHBondContact SG-O 3.47Å; S732-Y734 PolarHBondContact OG-OH 3.21Å
733	S	62.7	Low	76.9	Confident	87 Å²	87	72.2 Å²	72.2	61%	0.608	42%	0.421	S	S	*	.			trans	-82.6	112.4	171.6	57.6	0	0	0	0	111	A735	S733-A735 PolarHBondContact O-N 2.68Å; S733-A735 VanDerWaalsContact O-N 3.15Å
734	Y	69.9	Low	76.8	Confident	50 Å²	50	70.7 Å²	70.7	20%	0.196	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	21.7	178.8	-58.5	-78.5	0	0	0	114.6	P573 T712 V714 L719 S732 A736 N737 I738	P573-Y734 HydrophobicContact CG-CD2 4.32Å; T712-Y734 VanDerWaalsContact OG1-CE2 3.24Å; T712-Y734 WeakPolarHBondContact OG1-CE2 3.33Å; V714-Y734 HydrophobicContact CG2-CD1 4.25Å; V714-Y734 HydrophobicContact CG2-CE1 3.8Å; L719-Y734 HydrophobicContact CD1-CD1 3.7Å; L719-Y734 HydrophobicContact CD1-CD2 3.97Å; L719-Y734 HydrophobicContact CD1-CE1 4.13Å; L719-Y734 HydrophobicContact CD1-CE2 4.37Å; L719-Y734 HydrophobicContact CD1-CG 3.6Å; L719-Y734 HydrophobicContact CD2-CG 4.14Å; S732-Y734 PolarHBondContact OG-OH 3.21Å; Y734-A736 VanDerWaalsContact C-N 3.25Å; Y734-A736 PolarHBondContact O-N 3.34Å; Y734-N737 PolarHBondContact O-N 3.46Å; Y734-N737 VanDerWaalsContact O-N 3.16Å; Y734-I738 WeakPolarHBondContact O-CG1 3.44Å; Y734-I738 PolarHBondContact O-N 2.91Å
735	A	69.8	Low	76.8	Confident	68 Å²	68	69.4 Å²	69.4	56%	0.562	42%	0.42	S	S	*	.	H	α-helix	trans	-60	-35.5	-175.2	0	0	0	0	0	112.7	S733 A739	S733-A735 PolarHBondContact O-N 2.68Å; S733-A735 VanDerWaalsContact O-N 3.15Å; A735-A739 WeakPolarHBondContact O-CB 3.38Å; A735-A739 PolarHBondContact O-N 3.09Å
736	A	72.8	Confident	76.5	Confident	21 Å²	21	73.5 Å²	73.5	17%	0.174	45%	0.446	C	S	.	.	H	α-helix	trans	-65.7	-41.9	176.7	0	0	0	0	0	112.5	Y734 A739 A740 V749 M753	Y734-A736 VanDerWaalsContact C-N 3.25Å; Y734-A736 PolarHBondContact O-N 3.34Å; A736-A739 WeakPolarHBondContact O-CB 3.37Å; A736-A739 PolarHBondContact O-N 3.39Å; A736-A740 PolarHBondContact O-N 3.47Å; A736-V749 HydrophobicContact CB-CG1 3.9Å; A736-V749 WeakPolarHBondContact O-CG1 3.21Å; A736-M753 HydrophobicContact CB-CE 4.3Å; A736-M753 HydrophobicContact CB-CG 3.52Å; A736-M753 HydrophobicContact CB-SD 3.6Å; A736-M753 VanDerWaalsContact CB-SD 3.6Å
737	N	73.1	Confident	76.3	Confident	48 Å²	48	72.4 Å²	72.4	26%	0.257	45%	0.452	S	S	.	.	H	α-helix	trans	-68.2	-40.1	178.6	-62.5	22.6	0	0	0	110.9	Y734 A739 A740 L741	Y734-N737 PolarHBondContact O-N 3.46Å; Y734-N737 VanDerWaalsContact O-N 3.16Å; N737-A739 VanDerWaalsContact C-N 3.32Å; N737-A739 PolarHBondContact O-N 3.16Å; N737-A740 PolarHBondContact O-N 3.15Å; N737-L741 WeakPolarHBondContact O-CB 3.46Å; N737-L741 WeakPolarHBondContact O-CG 3.42Å; N737-L741 PolarHBondContact O-N 2.76Å
738	I	76.1	Confident	76.3	Confident	61 Å²	61	69.2 Å²	69.2	31%	0.313	44%	0.44	S	S	.	.	H	α-helix	trans	-63.7	-39.8	174.2	-63.4	169.7	0	0	0	110.7	P573 L719 Y734 L741 A742	P573-I738 HydrophobicContact CB-CD1 4.34Å; L719-I738 HydrophobicContact CD2-CD1 4Å; L719-I738 HydrophobicContact CD2-CG1 3.77Å; Y734-I738 WeakPolarHBondContact O-CG1 3.44Å; Y734-I738 PolarHBondContact O-N 2.91Å; I738-L741 PolarHBondContact O-N 3.45Å; I738-A742 WeakPolarHBondContact O-CB 3.11Å; I738-A742 PolarHBondContact O-N 2.98Å
739	A	78.5	Confident	76.4	Confident	23 Å²	23	68.4 Å²	68.4	19%	0.19	43%	0.429	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.3	0	0	0	0	0	111.8	A735 A736 N737 A742 L744 V749	A735-A739 WeakPolarHBondContact O-CB 3.38Å; A735-A739 PolarHBondContact O-N 3.09Å; A736-A739 WeakPolarHBondContact O-CB 3.37Å; A736-A739 PolarHBondContact O-N 3.39Å; N737-A739 VanDerWaalsContact C-N 3.32Å; N737-A739 PolarHBondContact O-N 3.16Å; A739-A742 PolarHBondContact O-N 3.37Å; A739-L744 HydrophobicContact CB-CD1 3.6Å; A739-L744 VanDerWaalsContact O-CB 3.29Å; A739-L744 WeakPolarHBondContact O-CB 3.44Å; A739-L744 PolarHBondContact O-N 3.12Å; A739-L744 VanDerWaalsContact O-N 3.16Å; A739-V749 HydrophobicContact CB-CG2 3.99Å
740	A	78	Confident	76.8	Confident	52 Å²	52	70.7 Å²	70.7	43%	0.43	44%	0.438	S	S	.	.	H	α-helix	trans	-62.7	-44.8	174.2	0	0	0	0	0	111.9	A736 N737 A742 G743	A736-A740 PolarHBondContact O-N 3.47Å; N737-A740 PolarHBondContact O-N 3.15Å; A740-A742 VanDerWaalsContact C-N 3.29Å; A740-A742 PolarHBondContact O-N 2.83Å; A740-G743 PolarHBondContact O-N 3.13Å
741	L	74.8	Confident	77.5	Confident	85 Å²	85	72.4 Å²	72.4	45%	0.445	44%	0.442	S	S	.	.	H	α-helix	trans	-61.2	-35	175	-75.6	169.4	0	0	0	113.1	E718 L719 N737 I738 G743	E718-L741 HydrophobicContact CB-CD2 4.2Å; E718-L741 HydrophobicContact CG-CD2 3.95Å; L719-L741 HydrophobicContact CB-CD1 4.08Å; N737-L741 WeakPolarHBondContact O-CB 3.46Å; N737-L741 WeakPolarHBondContact O-CG 3.42Å; N737-L741 PolarHBondContact O-N 2.76Å; I738-L741 PolarHBondContact O-N 3.45Å; L741-G743 PolarHBondContact O-N 2.97Å; L741-G743 VanDerWaalsContact O-N 3.15Å
742	A	81	Confident	78.5	Confident	79 Å²	79	65.6 Å²	65.6	65%	0.653	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-1.5	175.1	0	0	0	0	0	113.3	I738 A739 A740	I738-A742 WeakPolarHBondContact O-CB 3.11Å; I738-A742 PolarHBondContact O-N 2.98Å; A739-A742 PolarHBondContact O-N 3.37Å; A740-A742 VanDerWaalsContact C-N 3.29Å; A740-A742 PolarHBondContact O-N 2.83Å
743	G	81.6	Confident	79.6	Confident	64 Å²	64	67.5 Å²	67.5	66%	0.66	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	19.7	179	0	0	0	0	0	114.1	A740 L741	A740-G743 PolarHBondContact O-N 3.13Å; L741-G743 PolarHBondContact O-N 2.97Å; L741-G743 VanDerWaalsContact O-N 3.15Å
744	L	85	Confident	80.6	Confident	73 Å²	73	66.2 Å²	66.2	38%	0.382	41%	0.408	S	S	.	.			trans	-69.7	143.3	175.7	-74.8	157.1	0	0	0	110.9	A739 T746 L748 V749	A739-L744 HydrophobicContact CB-CD1 3.6Å; A739-L744 VanDerWaalsContact O-CB 3.29Å; A739-L744 WeakPolarHBondContact O-CB 3.44Å; A739-L744 PolarHBondContact O-N 3.12Å; A739-L744 VanDerWaalsContact O-N 3.16Å; L744-T746 PolarHBondContact O-N 3.32Å; L744-L748 HydrophobicContact CD2-CD1 4.37Å; L744-L748 HydrophobicContact CD2-CD2 4.32Å; L744-V749 HydrophobicContact CB-CG2 3.96Å
745	P	87.9	Confident	81.3	Confident	71 Å²	71	66.1 Å²	66.1	46%	0.461	41%	0.413	S	S	.	.			trans	-54.6	134.2	177.3	-26	34	0	0	0	112.1	C747 L748 V749	P745-C747 PolarHBondContact O-N 3.06Å; P745-L748 HydrophobicContact CB-CB 4.36Å; P745-L748 WeakPolarHBondContact O-CA 3.34Å; P745-L748 WeakPolarHBondContact O-CB 3.17Å; P745-L748 PolarHBondContact O-N 3.19Å; P745-V749 PolarHBondContact O-N 3.17Å; P745-V749 VanDerWaalsContact O-N 3.11Å
746	T	84.3	Confident	81.8	Confident	121 Å²	121	66.1 Å²	66.1	74%	0.742	41%	0.409	S	S	*	.	H	α-helix	trans	-58.3	-33.8	-177.1	52.6	0	0	0	0	112.8	L744 L748 V749 H750	L744-T746 PolarHBondContact O-N 3.32Å; T746-L748 VanDerWaalsContact C-N 3.34Å; T746-L748 PolarHBondContact O-N 3.41Å; T746-V749 PolarHBondContact O-N 3.17Å; T746-H750 WeakPolarHBondContact O-CB 3.34Å; T746-H750 PolarHBondContact O-N 2.93Å
747	C	85.3	Confident	82.1	Confident	94 Å²	94	70 Å²	70	64%	0.635	42%	0.423	S	S	*	.	H	α-helix	trans	-62.7	-37.8	174.2	58.3	0	0	0	0	112.8	P745 R751	P745-C747 PolarHBondContact O-N 3.06Å; C747-R751 WeakPolarHBondContact O-CB 3.48Å; C747-R751 PolarHBondContact O-N 3.16Å
748	L	86.3	Confident	82.6	Confident	88 Å²	88	69.2 Å²	69.2	46%	0.461	42%	0.418	S	S	.	.	H	α-helix	trans	-69.1	-44.9	176.3	-174.8	156.8	0	0	0	110.4	L744 P745 T746 R751 A752	L744-L748 HydrophobicContact CD2-CD1 4.37Å; L744-L748 HydrophobicContact CD2-CD2 4.32Å; P745-L748 HydrophobicContact CB-CB 4.36Å; P745-L748 WeakPolarHBondContact O-CA 3.34Å; P745-L748 WeakPolarHBondContact O-CB 3.17Å; P745-L748 PolarHBondContact O-N 3.19Å; T746-L748 VanDerWaalsContact C-N 3.34Å; T746-L748 PolarHBondContact O-N 3.41Å; L748-R751 PolarHBondContact O-N 2.97Å; L748-A752 WeakPolarHBondContact O-CB 3.29Å; L748-A752 PolarHBondContact O-N 2.82Å
749	V	85.9	Confident	82.8	Confident	11 Å²	11	74.8 Å²	74.8	7%	0.067	44%	0.436	C	S	.	.	H	α-helix	trans	-63.5	-45.2	178.6	-178.1	0	0	0	0	111	A736 A739 L744 P745 T746 R751 A752 M753	A736-V749 HydrophobicContact CB-CG1 3.9Å; A736-V749 WeakPolarHBondContact O-CG1 3.21Å; A739-V749 HydrophobicContact CB-CG2 3.99Å; L744-V749 HydrophobicContact CB-CG2 3.96Å; P745-V749 PolarHBondContact O-N 3.17Å; P745-V749 VanDerWaalsContact O-N 3.11Å; T746-V749 PolarHBondContact O-N 3.17Å; V749-R751 VanDerWaalsContact C-N 3.33Å; V749-R751 PolarHBondContact O-N 3.05Å; V749-A752 WeakPolarHBondContact O-CB 3.42Å; V749-A752 PolarHBondContact O-N 3.15Å; V749-M753 HydrophobicContact CG1-CE 4.27Å; V749-M753 PolarHBondContact O-N 3.26Å
750	H	85	Confident	82.4	Confident	124 Å²	124	81.5 Å²	81.5	57%	0.574	46%	0.457	S	S	*	.	H	α-helix	trans	-61.4	-42.9	177.3	-170.1	-77.8	0	0	0	111.6	T746 M753 E754	T746-H750 WeakPolarHBondContact O-CB 3.34Å; T746-H750 PolarHBondContact O-N 2.93Å; H750-M753 PolarHBondContact O-N 3.25Å; H750-E754 PolarHBondContact O-N 2.92Å
751	R	84.8	Confident	82.4	Confident	52 Å²	52	81.9 Å²	81.9	20%	0.196	45%	0.454	C	S	.	.	H	α-helix	trans	-64.2	-41.2	175.6	179.2	56.8	-175.3	172.9	1.7	112.1	C747 L748 V749 M753 E754 V755 K766 I768	C747-R751 WeakPolarHBondContact O-CB 3.48Å; C747-R751 PolarHBondContact O-N 3.16Å; L748-R751 PolarHBondContact O-N 2.97Å; V749-R751 VanDerWaalsContact C-N 3.33Å; V749-R751 PolarHBondContact O-N 3.05Å; R751-M753 VanDerWaalsContact C-N 3.3Å; R751-M753 PolarHBondContact O-N 3.5Å; R751-E754 WeakPolarHBondContact CD-OE2 3.41Å; R751-E754 IonicContact CZ-OE2 3.05Å; R751-E754 IonicContact NH1-OE1 2.97Å; R751-E754 PolarHBondContact NH1-OE1 2.67Å; R751-E754 IonicContact NH1-OE2 3.48Å; R751-E754 PolarHBondContact NH1-OE2 2.88Å; R751-E754 PolarHBondContact O-N 3.26Å; R751-V755 HydrophobicContact CG-CG2 4.49Å; R751-V755 VanDerWaalsContact O-CG2 3.29Å; R751-V755 WeakPolarHBondContact O-CG2 3.47Å; R751-V755 PolarHBondContact O-N 3.17Å; R751-K766 PolarHBondContact NH2-O 2.92Å; R751-I768 HydrophobicContact CG-CD1 4.24Å
752	A	84.4	Confident	82.5	Confident	54 Å²	54	81.1 Å²	81.1	45%	0.446	47%	0.466	S	S	.	.	H	α-helix	trans	-61.8	-39.2	175.9	0	0	0	0	0	111.9	L748 V749 V755 S756	L748-A752 WeakPolarHBondContact O-CB 3.29Å; L748-A752 PolarHBondContact O-N 2.82Å; V749-A752 WeakPolarHBondContact O-CB 3.42Å; V749-A752 PolarHBondContact O-N 3.15Å; A752-V755 PolarHBondContact O-N 2.85Å; A752-S756 VanDerWaalsContact O-CB 3.31Å; A752-S756 WeakPolarHBondContact O-CB 3.37Å; A752-S756 PolarHBondContact O-N 2.76Å
753	M	83.4	Confident	82.6	Confident	92 Å²	92	82.8 Å²	82.8	45%	0.453	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-47.2	173.4	-75.5	-164.4	-82.5	0	0	112.1	A736 V749 H750 R751 V755 S756 E757	A736-M753 HydrophobicContact CB-CE 4.3Å; A736-M753 HydrophobicContact CB-CG 3.52Å; A736-M753 HydrophobicContact CB-SD 3.6Å; A736-M753 VanDerWaalsContact CB-SD 3.6Å; V749-M753 HydrophobicContact CG1-CE 4.27Å; V749-M753 PolarHBondContact O-N 3.26Å; H750-M753 PolarHBondContact O-N 3.25Å; R751-M753 VanDerWaalsContact C-N 3.3Å; R751-M753 PolarHBondContact O-N 3.5Å; M753-V755 VanDerWaalsContact C-N 3.35Å; M753-V755 PolarHBondContact O-N 3.12Å; M753-S756 PolarHBondContact O-N 3.48Å; M753-E757 WeakPolarHBondContact O-CB 3.41Å; M753-E757 PolarHBondContact O-N 3.02Å
754	E	84.1	Confident	82.4	Confident	60 Å²	60	85.1 Å²	85.1	28%	0.28	46%	0.463	S	S	.	.	H	α-helix	trans	-57.9	-47.2	176.9	-172.7	-163.2	163.8	0	0	111.4	H750 R751 S756 E757 H758	H750-E754 PolarHBondContact O-N 2.92Å; R751-E754 WeakPolarHBondContact CD-OE2 3.41Å; R751-E754 IonicContact CZ-OE2 3.05Å; R751-E754 IonicContact NH1-OE1 2.97Å; R751-E754 PolarHBondContact NH1-OE1 2.67Å; R751-E754 IonicContact NH1-OE2 3.48Å; R751-E754 PolarHBondContact NH1-OE2 2.88Å; R751-E754 PolarHBondContact O-N 3.26Å; E754-S756 PolarHBondContact O-N 2.82Å; E754-E757 PolarHBondContact O-N 3.03Å; E754-H758 WeakPolarHBondContact O-CB 3.28Å; E754-H758 VanDerWaalsContact O-CG 3.28Å; E754-H758 PolarHBondContact O-N 2.94Å; E754-H758 IonicContact OE1-NE2 2.97Å
755	V	84.3	Confident	82.3	Confident	47 Å²	47	85.2 Å²	85.2	29%	0.285	46%	0.463	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177.8	171.6	0	0	0	0	111.1	R751 A752 M753 H758 Y759 I765	R751-V755 HydrophobicContact CG-CG2 4.49Å; R751-V755 VanDerWaalsContact O-CG2 3.29Å; R751-V755 WeakPolarHBondContact O-CG2 3.47Å; R751-V755 PolarHBondContact O-N 3.17Å; A752-V755 PolarHBondContact O-N 2.85Å; M753-V755 VanDerWaalsContact C-N 3.35Å; M753-V755 PolarHBondContact O-N 3.12Å; V755-H758 PolarHBondContact O-N 3.47Å; V755-Y759 VanDerWaalsContact O-CB 3.29Å; V755-Y759 WeakPolarHBondContact O-CB 3.34Å; V755-Y759 PolarHBondContact O-N 3.42Å; V755-I765 HydrophobicContact CG1-CD1 3.95Å; V755-I765 HydrophobicContact CG1-CG1 4.44Å; V755-I765 HydrophobicContact CG1-CG2 4.42Å; V755-I765 HydrophobicContact CG2-CG2 3.97Å
756	S	80.3	Confident	81.7	Confident	69 Å²	69	88.8 Å²	88.8	48%	0.483	47%	0.471	S	S	.	.	H	α-helix	trans	-62.8	-43.6	178.3	-176.2	0	0	0	0	111.8	A752 M753 E754 Y759 R760	A752-S756 VanDerWaalsContact O-CB 3.31Å; A752-S756 WeakPolarHBondContact O-CB 3.37Å; A752-S756 PolarHBondContact O-N 2.76Å; M753-S756 PolarHBondContact O-N 3.48Å; E754-S756 PolarHBondContact O-N 2.82Å; S756-Y759 PolarHBondContact O-N 2.85Å; S756-R760 WeakPolarHBondContact O-CB 3.27Å; S756-R760 PolarHBondContact O-N 2.84Å
757	E	80.7	Confident	81.2	Confident	102 Å²	102	92.6 Å²	92.6	48%	0.477	47%	0.472	S	S	.	.	H	α-helix	trans	-65.7	-43.8	177.5	-168.8	-175.3	172.9	0	0	111.6	M753 E754 R760 T761	M753-E757 WeakPolarHBondContact O-CB 3.41Å; M753-E757 PolarHBondContact O-N 3.02Å; E754-E757 PolarHBondContact O-N 3.03Å; E757-R760 PolarHBondContact O-N 3.1Å; E757-T761 HydrophobicContact CG-CG2 4.48Å; E757-T761 WeakPolarHBondContact O-CB 3.42Å; E757-T761 WeakPolarHBondContact O-CG2 3.11Å; E757-T761 PolarHBondContact O-N 2.8Å; E757-T761 PolarHBondContact O-OG1 3.21Å
758	H	83.3	Confident	80.4	Confident	32 Å²	32	94.2 Å²	94.2	15%	0.148	47%	0.473	C	S	.	.	H	α-helix	trans	-62.9	-41.5	175.4	-72.5	-5.2	0	0	0	112.2	E754 V755 T761 G762 K763 I765	E754-H758 WeakPolarHBondContact O-CB 3.28Å; E754-H758 VanDerWaalsContact O-CG 3.28Å; E754-H758 PolarHBondContact O-N 2.94Å; E754-H758 IonicContact OE1-NE2 2.97Å; V755-H758 PolarHBondContact O-N 3.47Å; H758-T761 PolarHBondContact O-N 2.92Å; H758-T761 PolarHBondContact O-OG1 3.03Å; H758-G762 CarbonylContact O-C 3.52Å; H758-G762 PolarHBondContact O-N 3.42Å; H758-K763 HydrophobicContact CB-CB 4.12Å; H758-K763 PolarHBondContact O-N 2.87Å; H758-I765 HydrophobicContact CB-CG1 3.94Å
759	Y	79.9	Confident	79.1	Confident	177 Å²	177	97.3 Å²	97.3	69%	0.694	49%	0.49	S	S	*	.	H	α-helix	trans	-61.2	-45.7	174	-171.8	-96	0	0	0	111.7	V755 S756 T761 G762	V755-Y759 VanDerWaalsContact O-CB 3.29Å; V755-Y759 WeakPolarHBondContact O-CB 3.34Å; V755-Y759 PolarHBondContact O-N 3.42Å; S756-Y759 PolarHBondContact O-N 2.85Å; Y759-T761 VanDerWaalsContact C-N 3.34Å; Y759-T761 PolarHBondContact O-N 3.48Å; Y759-G762 PolarHBondContact O-N 2.95Å
760	R	70.9	Confident	77.4	Confident	164 Å²	164	103.7 Å²	103.7	62%	0.619	52%	0.517	S	S	*	.	H	α-helix	trans	-65.2	-35.5	178.5	-168.5	-176.8	70.9	93.3	1.4	113	S756 E757	S756-R760 WeakPolarHBondContact O-CB 3.27Å; S756-R760 PolarHBondContact O-N 2.84Å; E757-R760 PolarHBondContact O-N 3.1Å
761	T	78.3	Confident	75.7	Confident	60 Å²	60	100.2 Å²	100.2	37%	0.368	51%	0.509	S	S	.	.	H	α-helix	trans	-91.2	-2.8	-178.4	55.2	0	0	0	0	113.7	E757 H758 Y759 K763	E757-T761 HydrophobicContact CG-CG2 4.48Å; E757-T761 WeakPolarHBondContact O-CB 3.42Å; E757-T761 WeakPolarHBondContact O-CG2 3.11Å; E757-T761 PolarHBondContact O-N 2.8Å; E757-T761 PolarHBondContact O-OG1 3.21Å; H758-T761 PolarHBondContact O-N 2.92Å; H758-T761 PolarHBondContact O-OG1 3.03Å; Y759-T761 VanDerWaalsContact C-N 3.34Å; Y759-T761 PolarHBondContact O-N 3.48Å; T761-K763 PolarHBondContact O-N 3.37Å; T761-K763 WeakPolarHBondContact OG1-CG 3.43Å
762	G	76.9	Confident	74.3	Confident	69 Å²	69	99.8 Å²	99.8	71%	0.711	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	16.9	-175.8	0	0	0	0	0	114.2	H758 Y759	H758-G762 CarbonylContact O-C 3.52Å; H758-G762 PolarHBondContact O-N 3.42Å; Y759-G762 PolarHBondContact O-N 2.95Å
763	K	81.1	Confident	72.9	Confident	114 Å²	114	101.9 Å²	101.9	50%	0.496	53%	0.526	S	S	.	.			trans	-76.3	145.2	177	-70.5	177.9	-177.9	174.6	0	110.5	H758 T761 I765	H758-K763 HydrophobicContact CB-CB 4.12Å; H758-K763 PolarHBondContact O-N 2.87Å; T761-K763 PolarHBondContact O-N 3.37Å; T761-K763 WeakPolarHBondContact OG1-CG 3.43Å; K763-I765 PolarHBondContact O-N 3.41Å
764	P	79.3	Confident	71.7	Confident	114 Å²	114	102.9 Å²	102.9	74%	0.74	53%	0.533	S	S	*	.			trans	-65.1	123.8	178.9	25.5	-32.9	0	0	0	111.1	K766	P764-K766 PolarHBondContact O-N 3.37Å
765	I	82.5	Confident	70.5	Confident	74 Å²	74	105.7 Å²	105.7	38%	0.379	55%	0.546	S	S	.	.			trans	-75.1	112.2	176.3	-61.3	158.8	0	0	0	108.5	V755 H758 K763 R767	V755-I765 HydrophobicContact CG1-CD1 3.95Å; V755-I765 HydrophobicContact CG1-CG1 4.44Å; V755-I765 HydrophobicContact CG1-CG2 4.42Å; V755-I765 HydrophobicContact CG2-CG2 3.97Å; H758-I765 HydrophobicContact CB-CG1 3.94Å; K763-I765 PolarHBondContact O-N 3.41Å; I765-R767 PolarHBondContact O-N 3.19Å
766	K	75.5	Confident	69.2	Low	146 Å²	146	106.1 Å²	106.1	64%	0.635	55%	0.545	S	S	*	.			trans	-65	129.9	178.1	-63.6	-178.3	-179.2	-179.9	0	110.2	R751 P764	R751-K766 PolarHBondContact NH2-O 2.92Å; P764-K766 PolarHBondContact O-N 3.37Å
767	R	73.8	Confident	68.2	Low	201 Å²	201	105.1 Å²	105.1	76%	0.758	54%	0.541	S	S	*	.			trans	-77	134.8	172.1	-67.5	-173.3	-179.7	-178.8	0.4	109.5	I765 D769	I765-R767 PolarHBondContact O-N 3.19Å; R767-D769 VanDerWaalsContact C-N 3.29Å; R767-D769 PolarHBondContact O-N 3.17Å
768	I	66.9	Low	67.4	Low	128 Å²	128	107.2 Å²	107.2	66%	0.656	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.2	-178.1	-59.9	170.5	0	0	0	111	R751 K770	R751-I768 HydrophobicContact CG-CD1 4.24Å; I768-K770 PolarHBondContact O-N 3.43Å; I768-K770 VanDerWaalsContact O-N 3.09Å
769	D	60.6	Low	66.4	Low	154 Å²	154	114 Å²	114	82%	0.824	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	5.7	-174.7	-48.2	-35.6	0	0	0	114.9	R767	R767-D769 VanDerWaalsContact C-N 3.29Å; R767-D769 PolarHBondContact O-N 3.17Å
770	K	50	Low	65.6	Low	144 Å²	144	109.2 Å²	109.2	63%	0.626	57%	0.565	S	S	*	*	S	Bend	trans	-128.4	117.8	174.7	-69.9	-174.7	178	-177.1	0	108.6	I768 S772	I768-K770 PolarHBondContact O-N 3.43Å; I768-K770 VanDerWaalsContact O-N 3.09Å; K770-S772 PolarHBondContact O-N 3.42Å
771	A	49.1	Very low	65.5	Low	51 Å²	51	107.8 Å²	107.8	42%	0.421	57%	0.565	S	S	.	*			trans	-43.7	126.9	163.9	0	0	0	0	0	107.9	S773 Q776	A771-S773 PolarHBondContact O-N 3.14Å; A771-Q776 HydrophobicContact CB-CG 4.01Å
772	S	55.6	Low	65.1	Low	43 Å²	43	107.5 Å²	107.5	30%	0.301	57%	0.566	S	S	.	*			trans	-55.6	145	-173.5	66.2	0	0	0	0	109.4	K770 D774 E775 Q776	K770-S772 PolarHBondContact O-N 3.42Å; S772-D774 PolarHBondContact O-N 3.04Å; S772-E775 PolarHBondContact N-OE2 3.35Å; S772-E775 PolarHBondContact O-N 3.33Å; S772-E775 WeakPolarHBondContact OG-CB 3.35Å; S772-E775 WeakPolarHBondContact OG-CG 3.31Å; S772-E775 PolarHBondContact OG-N 3.06Å; S772-E775 PolarHBondContact OG-OE2 2.95Å; S772-Q776 PolarHBondContact O-N 3.5Å
773	S	55.5	Low	64.7	Low	99 Å²	99	105.8 Å²	105.8	69%	0.692	54%	0.541	S	S	*	.	H	α-helix	trans	-53.7	-25.1	175.2	-167.8	0	0	0	0	111.6	A771 A777	A771-S773 PolarHBondContact O-N 3.14Å; S773-A777 WeakPolarHBondContact O-CB 3.44Å; S773-A777 PolarHBondContact O-N 2.7Å
774	D	57.2	Low	64.2	Low	113 Å²	113	104.2 Å²	104.2	60%	0.604	54%	0.541	S	S	*	.	H	α-helix	trans	-75.4	-36.9	174.4	-77.5	-25	0	0	0	113.8	S772 K778	S772-D774 PolarHBondContact O-N 3.04Å; D774-K778 VanDerWaalsContact O-CB 3.31Å; D774-K778 WeakPolarHBondContact O-CB 3.18Å; D774-K778 VanDerWaalsContact O-CG 3.25Å; D774-K778 WeakPolarHBondContact O-CG 3.45Å; D774-K778 PolarHBondContact O-N 3.21Å
775	E	59.3	Low	63.8	Low	118 Å²	118	105.4 Å²	105.4	55%	0.551	54%	0.537	S	S	*	.	H	α-helix	trans	-71	-41.4	172.5	-81.9	163.6	145.7	0	0	111.1	S772 A777 K778 R779	S772-E775 PolarHBondContact N-OE2 3.35Å; S772-E775 PolarHBondContact O-N 3.33Å; S772-E775 WeakPolarHBondContact OG-CB 3.35Å; S772-E775 WeakPolarHBondContact OG-CG 3.31Å; S772-E775 PolarHBondContact OG-N 3.06Å; S772-E775 PolarHBondContact OG-OE2 2.95Å; E775-A777 VanDerWaalsContact C-N 3.34Å; E775-K778 PolarHBondContact O-N 3.33Å; E775-R779 VanDerWaalsContact O-CB 3.29Å; E775-R779 WeakPolarHBondContact O-CB 3.38Å; E775-R779 PolarHBondContact O-N 3.03Å
776	Q	57.5	Low	63.1	Low	57 Å²	57	106.2 Å²	106.2	27%	0.266	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-42.4	172.5	-67.5	-167.2	-39.1	0	0	110.8	A771 S772 R779 C780	A771-Q776 HydrophobicContact CB-CG 4.01Å; S772-Q776 PolarHBondContact O-N 3.5Å; Q776-R779 PolarHBondContact O-N 3.48Å; Q776-C780 WeakPolarHBondContact O-CB 3.45Å; Q776-C780 PolarHBondContact O-N 3.16Å; Q776-C780 PolarHBondContact O-SG 2.98Å
777	A	58.8	Low	62.7	Low	48 Å²	48	104.8 Å²	104.8	40%	0.397	53%	0.532	S	S	.	.	H	α-helix	trans	-62.8	-46.5	175.1	0	0	0	0	0	111.9	S773 E775 R779 C780 Q781	S773-A777 WeakPolarHBondContact O-CB 3.44Å; S773-A777 PolarHBondContact O-N 2.7Å; E775-A777 VanDerWaalsContact C-N 3.34Å; A777-R779 VanDerWaalsContact C-N 3.35Å; A777-R779 PolarHBondContact O-N 3.13Å; A777-C780 PolarHBondContact O-N 3.3Å; A777-Q781 VanDerWaalsContact O-CB 3.28Å; A777-Q781 WeakPolarHBondContact O-CB 3.44Å; A777-Q781 PolarHBondContact O-N 2.86Å
778	K	64.5	Low	62.4	Low	146 Å²	146	101.6 Å²	101.6	64%	0.635	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-37.8	176.3	-77.7	175.2	-179.1	178.3	0	112.6	D774 E775 Q781 S782	D774-K778 VanDerWaalsContact O-CB 3.31Å; D774-K778 WeakPolarHBondContact O-CB 3.18Å; D774-K778 VanDerWaalsContact O-CG 3.25Å; D774-K778 WeakPolarHBondContact O-CG 3.45Å; D774-K778 PolarHBondContact O-N 3.21Å; E775-K778 PolarHBondContact O-N 3.33Å; K778-Q781 PolarHBondContact O-N 2.75Å; K778-S782 WeakPolarHBondContact O-CB 3.42Å; K778-S782 PolarHBondContact O-N 2.87Å
779	R	60.8	Low	62.4	Low	173 Å²	173	100 Å²	100	65%	0.653	53%	0.529	S	S	*	.	H	α-helix	trans	-67.7	-45.2	176.3	-139.9	173.7	-170.2	-179.8	1.8	110.7	E775 Q776 A777 Q781 S782 V783	E775-R779 VanDerWaalsContact O-CB 3.29Å; E775-R779 WeakPolarHBondContact O-CB 3.38Å; E775-R779 PolarHBondContact O-N 3.03Å; Q776-R779 PolarHBondContact O-N 3.48Å; A777-R779 VanDerWaalsContact C-N 3.35Å; A777-R779 PolarHBondContact O-N 3.13Å; R779-Q781 VanDerWaalsContact C-N 3.34Å; R779-Q781 PolarHBondContact O-N 2.79Å; R779-S782 PolarHBondContact O-N 3.13Å; R779-V783 VanDerWaalsContact O-CG2 3.3Å; R779-V783 WeakPolarHBondContact O-CG2 3.47Å; R779-V783 PolarHBondContact O-N 3.5Å
780	C	63.4	Low	62.7	Low	78 Å²	78	94.9 Å²	94.9	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-41.2	172.3	-71.6	0	0	0	0	112	Q776 A777 V783 V784	Q776-C780 WeakPolarHBondContact O-CB 3.45Å; Q776-C780 PolarHBondContact O-N 3.16Å; Q776-C780 PolarHBondContact O-SG 2.98Å; A777-C780 PolarHBondContact O-N 3.3Å; C780-V783 PolarHBondContact O-N 3.34Å; C780-V784 WeakPolarHBondContact O-CB 3.11Å; C780-V784 VanDerWaalsContact O-CG2 3.23Å; C780-V784 WeakPolarHBondContact O-CG2 3.5Å; C780-V784 PolarHBondContact O-N 3.34Å
781	Q	68.9	Low	63.3	Low	133 Å²	133	93 Å²	93	62%	0.621	50%	0.498	S	S	*	.	H	α-helix	trans	-66.3	-38.2	178.5	-144.5	170.3	18.7	0	0	111.6	A777 K778 R779 V784 Q785	A777-Q781 VanDerWaalsContact O-CB 3.28Å; A777-Q781 WeakPolarHBondContact O-CB 3.44Å; A777-Q781 PolarHBondContact O-N 2.86Å; K778-Q781 PolarHBondContact O-N 2.75Å; R779-Q781 VanDerWaalsContact C-N 3.34Å; R779-Q781 PolarHBondContact O-N 2.79Å; Q781-V784 PolarHBondContact O-N 3.02Å; Q781-Q785 WeakPolarHBondContact O-CB 3.46Å; Q781-Q785 PolarHBondContact O-N 2.91Å
782	S	69.9	Low	63.8	Low	55 Å²	55	96.7 Å²	96.7	39%	0.385	51%	0.51	S	S	.	.	H	α-helix	trans	-67	-39.8	173.9	-177.6	0	0	0	0	112.4	K778 R779 Q785 K786	K778-S782 WeakPolarHBondContact O-CB 3.42Å; K778-S782 PolarHBondContact O-N 2.87Å; R779-S782 PolarHBondContact O-N 3.13Å; S782-Q785 PolarHBondContact O-N 3.29Å; S782-K786 WeakPolarHBondContact O-CB 3.03Å; S782-K786 WeakPolarHBondContact O-CG 3.41Å; S782-K786 PolarHBondContact O-N 3.44Å
783	V	69.3	Low	63.9	Low	33 Å²	33	103.2 Å²	103.2	20%	0.2	54%	0.536	C	S	.	.	H	α-helix	trans	-66.6	-41.5	175.2	172.4	0	0	0	0	110.7	R779 C780 K786 F787	R779-V783 VanDerWaalsContact O-CG2 3.3Å; R779-V783 WeakPolarHBondContact O-CG2 3.47Å; R779-V783 PolarHBondContact O-N 3.5Å; C780-V783 PolarHBondContact O-N 3.34Å; V783-K786 PolarHBondContact O-N 2.81Å; V783-F787 WeakPolarHBondContact O-CB 3.44Å; V783-F787 PolarHBondContact O-N 2.88Å
784	V	70.3	Confident	64.1	Low	81 Å²	81	103 Å²	103	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-40.4	175.8	170.8	0	0	0	0	111.5	C780 Q781 F787 L788	C780-V784 WeakPolarHBondContact O-CB 3.11Å; C780-V784 VanDerWaalsContact O-CG2 3.23Å; C780-V784 WeakPolarHBondContact O-CG2 3.5Å; C780-V784 PolarHBondContact O-N 3.34Å; Q781-V784 PolarHBondContact O-N 3.02Å; V784-F787 PolarHBondContact O-N 2.88Å; V784-L788 HydrophobicContact CG1-CD1 3.91Å; V784-L788 HydrophobicContact CG1-CG 4.5Å; V784-L788 WeakPolarHBondContact O-CB 3.48Å; V784-L788 VanDerWaalsContact O-CG 3.31Å; V784-L788 WeakPolarHBondContact O-CG 3.2Å; V784-L788 PolarHBondContact O-N 3.15Å
785	Q	70.4	Confident	64	Low	139 Å²	139	107.4 Å²	107.4	65%	0.65	54%	0.541	S	S	*	.	H	α-helix	trans	-63.6	-42.8	174.6	-105.5	-176	-24.9	0	0	112.3	Q781 S782 F787 L788 S789	Q781-Q785 WeakPolarHBondContact O-CB 3.46Å; Q781-Q785 PolarHBondContact O-N 2.91Å; S782-Q785 PolarHBondContact O-N 3.29Å; Q785-F787 VanDerWaalsContact C-N 3.33Å; Q785-L788 PolarHBondContact O-N 3.4Å; Q785-S789 PolarHBondContact O-N 2.8Å; Q785-S789 PolarHBondContact O-OG 2.92Å
786	K	68.7	Low	63.9	Low	91 Å²	91	109 Å²	109	40%	0.396	55%	0.553	S	S	.	*	H	α-helix	trans	-63.6	-39	175.4	-78.3	-178.8	172.9	-174.9	0	112.4	S782 V783 S789 L790 F802 E806	S782-K786 WeakPolarHBondContact O-CB 3.03Å; S782-K786 WeakPolarHBondContact O-CG 3.41Å; S782-K786 PolarHBondContact O-N 3.44Å; V783-K786 PolarHBondContact O-N 2.81Å; K786-S789 WeakPolarHBondContact CA-OG 3.31Å; K786-S789 PolarHBondContact O-N 3.01Å; K786-S789 PolarHBondContact O-OG 2.82Å; K786-L790 PolarHBondContact O-N 3.19Å; K786-F802 HydrophobicContact CB-CE2 4.34Å; K786-E806 WeakPolarHBondContact CD-OE2 3.41Å; K786-E806 IonicContact NZ-OE1 3.64Å; K786-E806 PolarHBondContact NZ-OE1 2.94Å; K786-E806 IonicContact NZ-OE2 3.49Å
787	F	67.5	Low	64	Low	116 Å²	116	108.5 Å²	108.5	51%	0.509	55%	0.554	S	S	.	*	H	α-helix	trans	-64	-40.3	173.7	-174.8	-101.6	0	0	0	112.6	V783 V784 Q785 S789 L790 F802	V783-F787 WeakPolarHBondContact O-CB 3.44Å; V783-F787 PolarHBondContact O-N 2.88Å; V784-F787 PolarHBondContact O-N 2.88Å; Q785-F787 VanDerWaalsContact C-N 3.33Å; F787-S789 VanDerWaalsContact C-N 3.29Å; F787-S789 PolarHBondContact O-N 3.07Å; F787-L790 PolarHBondContact O-N 3Å; F787-F802 HydrophobicContact CB-CZ 4.41Å; F787-F802 AromaticContact CD2-CE1 3.97Å; F787-F802 HydrophobicContact CD2-CE1 3.97Å
788	L	67	Low	64.1	Low	134 Å²	134	111 Å²	111	70%	0.702	56%	0.56	S	S	*	*	H	α-helix	trans	-72.1	-21.4	177.5	-72.8	166.4	0	0	0	113.4	V784 Q785	V784-L788 HydrophobicContact CG1-CD1 3.91Å; V784-L788 HydrophobicContact CG1-CG 4.5Å; V784-L788 WeakPolarHBondContact O-CB 3.48Å; V784-L788 VanDerWaalsContact O-CG 3.31Å; V784-L788 WeakPolarHBondContact O-CG 3.2Å; V784-L788 PolarHBondContact O-N 3.15Å; Q785-L788 PolarHBondContact O-N 3.4Å
789	S	67.2	Low	63.9	Low	93 Å²	93	108 Å²	108	65%	0.65	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-3.4	175	59	0	0	0	0	114.4	Q785 K786 F787	Q785-S789 PolarHBondContact O-N 2.8Å; Q785-S789 PolarHBondContact O-OG 2.92Å; K786-S789 WeakPolarHBondContact CA-OG 3.31Å; K786-S789 PolarHBondContact O-N 3.01Å; K786-S789 PolarHBondContact O-OG 2.82Å; F787-S789 VanDerWaalsContact C-N 3.29Å; F787-S789 PolarHBondContact O-N 3.07Å
790	L	67	Low	63.7	Low	48 Å²	48	107.4 Å²	107.4	25%	0.251	56%	0.556	S	S	.	*			trans	-79.9	119.7	175.8	-89.3	152.9	0	0	0	109.6	K786 F787 V797 F802	K786-L790 PolarHBondContact O-N 3.19Å; F787-L790 PolarHBondContact O-N 3Å; L790-V797 HydrophobicContact CD2-CG1 3.51Å; L790-F802 HydrophobicContact CD1-CD1 3.91Å; L790-F802 HydrophobicContact CD1-CD2 3.77Å; L790-F802 HydrophobicContact CD1-CE1 3.78Å; L790-F802 HydrophobicContact CD1-CE2 3.62Å; L790-F802 HydrophobicContact CD1-CG 3.91Å; L790-F802 HydrophobicContact CD1-CZ 3.63Å
791	D	61	Low	63.5	Low	104 Å²	104	106.2 Å²	106.2	56%	0.556	55%	0.548	S	S	*	.			trans	-86.2	113.7	176.6	-158.7	-12.4	0	0	0	109.7	E793	D791-E793 VanDerWaalsContact C-N 3.26Å; D791-E793 PolarHBondContact O-N 3.04Å
792	L	60.9	Low	63.3	Low	128 Å²	128	101.2 Å²	101.2	67%	0.67	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.9	-171.9	-68.3	166.9	0	0	0	113.2	L799	L792-L799 HydrophobicContact CD2-CD2 4.25Å
793	E	57	Low	62.8	Low	180 Å²	180	104 Å²	104	84%	0.841	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-8	177.9	-62.1	-169.1	171.3	0	0	113.1	D791	D791-E793 VanDerWaalsContact C-N 3.26Å; D791-E793 PolarHBondContact O-N 3.04Å
794	D	60.6	Low	62.3	Low	96 Å²	96	109.3 Å²	109.3	51%	0.513	55%	0.553	S	S	.	*			trans	-87.1	123.7	-178.7	-160.5	-2.8	0	0	0	111.5	D796 V797	D794-D796 VanDerWaalsContact C-N 3.3Å; D794-D796 PolarHBondContact O-N 2.81Å; D794-V797 HydrophobicContact CB-CG2 3.84Å
795	K	55.1	Low	61.8	Low	205 Å²	205	111.3 Å²	111.3	89%	0.891	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-8.6	-169.1	-73.3	-173.6	178.4	178.9	0	114.4
796	D	57.1	Low	61.3	Low	151 Å²	151	107.3 Å²	107.3	81%	0.807	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	4.2	179.5	-68.4	-29.9	0	0	0	113.1	D794 D798	D794-D796 VanDerWaalsContact C-N 3.3Å; D794-D796 PolarHBondContact O-N 2.81Å; D796-D798 PolarHBondContact O-N 2.79Å
797	V	58.5	Low	60.7	Low	46 Å²	46	106.7 Å²	106.7	28%	0.279	54%	0.542	S	S	.	.			trans	-81.8	104.8	179	179.2	0	0	0	0	110	L790 D794 L799	L790-V797 HydrophobicContact CD2-CG1 3.51Å; D794-V797 HydrophobicContact CB-CG2 3.84Å; V797-L799 VanDerWaalsContact C-N 3.3Å; V797-L799 PolarHBondContact O-N 3.46Å
798	D	60.6	Low	60.3	Low	100 Å²	100	106.3 Å²	106.3	54%	0.535	55%	0.545	S	S	.	.			trans	-75.5	79.4	178.9	-163.5	-3.5	0	0	0	111.2	D796 Q800 S801 F802	D796-D798 PolarHBondContact O-N 2.79Å; D798-Q800 PolarHBondContact O-N 2.94Å; D798-Q800 VanDerWaalsContact O-N 3.09Å; D798-S801 WeakPolarHBondContact O-CB 3.14Å; D798-S801 PolarHBondContact O-N 2.94Å; D798-S801 PolarHBondContact O-OG 2.88Å; D798-F802 PolarHBondContact O-N 3.01Å
799	L	60.3	Low	59.8	Low	85 Å²	85	103.6 Å²	103.6	45%	0.445	54%	0.536	S	S	.	.	H	α-helix	trans	-51.9	-28.9	178	-86.8	150.5	0	0	0	113.2	L792 V797 M803	L792-L799 HydrophobicContact CD2-CD2 4.25Å; V797-L799 VanDerWaalsContact C-N 3.3Å; V797-L799 PolarHBondContact O-N 3.46Å; L799-M803 VanDerWaalsContact O-CG 3.3Å; L799-M803 WeakPolarHBondContact O-CG 3.46Å; L799-M803 PolarHBondContact O-N 2.93Å
800	Q	57.6	Low	59.1	Low	160 Å²	160	101.5 Å²	101.5	75%	0.748	52%	0.521	S	S	*	.	H	α-helix	trans	-71.3	-34.3	177.6	-77.3	-172.1	-13.7	0	0	112.5	D798 K804	D798-Q800 PolarHBondContact O-N 2.94Å; D798-Q800 VanDerWaalsContact O-N 3.09Å; Q800-K804 VanDerWaalsContact O-CB 3.29Å; Q800-K804 WeakPolarHBondContact O-CB 3.47Å; Q800-K804 PolarHBondContact O-N 2.7Å; Q800-K804 VanDerWaalsContact O-N 3.16Å
801	S	59.7	Low	58.2	Low	52 Å²	52	101 Å²	101	36%	0.364	52%	0.524	S	S	.	.	H	α-helix	trans	-68	-44.5	176.2	73.1	0	0	0	0	111.7	D798 M803 K804 D805	D798-S801 WeakPolarHBondContact O-CB 3.14Å; D798-S801 PolarHBondContact O-N 2.94Å; D798-S801 PolarHBondContact O-OG 2.88Å; S801-M803 PolarHBondContact O-N 2.79Å; S801-K804 PolarHBondContact O-N 3.35Å; S801-K804 VanDerWaalsContact O-N 3.15Å; S801-D805 WeakPolarHBondContact O-CB 3.36Å; S801-D805 PolarHBondContact O-N 2.96Å
802	F	63.3	Low	57.7	Low	29 Å²	29	97.9 Å²	97.9	13%	0.127	52%	0.516	C	S	.	.	H	α-helix	trans	-62.8	-42.9	178.1	-178	-98.6	0	0	0	112.4	K786 F787 L790 D798 K804 E806 L807	K786-F802 HydrophobicContact CB-CE2 4.34Å; F787-F802 HydrophobicContact CB-CZ 4.41Å; F787-F802 AromaticContact CD2-CE1 3.97Å; F787-F802 HydrophobicContact CD2-CE1 3.97Å; L790-F802 HydrophobicContact CD1-CD1 3.91Å; L790-F802 HydrophobicContact CD1-CD2 3.77Å; L790-F802 HydrophobicContact CD1-CE1 3.78Å; L790-F802 HydrophobicContact CD1-CE2 3.62Å; L790-F802 HydrophobicContact CD1-CG 3.91Å; L790-F802 HydrophobicContact CD1-CZ 3.63Å; D798-F802 PolarHBondContact O-N 3.01Å; F802-K804 VanDerWaalsContact C-N 3.29Å; F802-K804 PolarHBondContact O-N 2.85Å; F802-E806 HydrophobicContact CD2-CB 4.38Å; F802-E806 HydrophobicContact CD2-CG 4.27Å; F802-E806 HydrophobicContact CE2-CB 4.25Å; F802-E806 HydrophobicContact CE2-CG 4.28Å; F802-E806 WeakPolarHBondContact CE2-OE2 3.03Å; F802-E806 PolarHBondContact O-N 2.67Å; F802-E806 VanDerWaalsContact O-N 3.12Å; F802-L807 HydrophobicContact CD1-CD1 4.48Å; F802-L807 HydrophobicContact CE1-CD1 4.11Å
803	M	60	Low	56.9	Low	112 Å²	112	97.2 Å²	97.2	55%	0.552	51%	0.51	S	S	*	.	I	π-helix	trans	-63.8	-35.4	175.8	-72.7	-174.7	71.8	0	0	112.4	L799 S801 L807 L808	L799-M803 VanDerWaalsContact O-CG 3.3Å; L799-M803 WeakPolarHBondContact O-CG 3.46Å; L799-M803 PolarHBondContact O-N 2.93Å; S801-M803 PolarHBondContact O-N 2.79Å; M803-L807 WeakPolarHBondContact O-CB 3.41Å; M803-L808 WeakPolarHBondContact O-CG 3.28Å; M803-L808 PolarHBondContact O-N 2.77Å
804	K	58.8	Low	56.2	Low	146 Å²	146	94 Å²	94	64%	0.635	50%	0.498	S	S	*	.	I	π-helix	trans	-83.5	-37.8	-174.5	-154.1	178.7	-175	-176.7	0	113.4	Q800 S801 F802 L808	Q800-K804 VanDerWaalsContact O-CB 3.29Å; Q800-K804 WeakPolarHBondContact O-CB 3.47Å; Q800-K804 PolarHBondContact O-N 2.7Å; Q800-K804 VanDerWaalsContact O-N 3.16Å; S801-K804 PolarHBondContact O-N 3.35Å; S801-K804 VanDerWaalsContact O-N 3.15Å; F802-K804 VanDerWaalsContact C-N 3.29Å; F802-K804 PolarHBondContact O-N 2.85Å; K804-L808 HydrophobicContact CB-CD1 4.34Å; K804-L808 HydrophobicContact CG-CD1 3.89Å
805	D	59.3	Low	55.3	Low	122 Å²	122	96 Å²	96	65%	0.652	51%	0.508	S	S	*	.	I	π-helix	trans	-97.5	-27.1	-172.5	-65.7	-23.2	0	0	0	113.8	S801 P809	S801-D805 WeakPolarHBondContact O-CB 3.36Å; S801-D805 PolarHBondContact O-N 2.96Å; D805-P809 WeakPolarHBondContact O-CG 3.48Å
806	E	59.5	Low	54.5	Low	56 Å²	56	93.5 Å²	93.5	26%	0.262	50%	0.504	S	S	.	.	I	π-helix	trans	-108.4	-32.4	179.6	-64	-152.5	162.9	0	0	114	K786 F802 S810	K786-E806 WeakPolarHBondContact CD-OE2 3.41Å; K786-E806 IonicContact NZ-OE1 3.64Å; K786-E806 PolarHBondContact NZ-OE1 2.94Å; K786-E806 IonicContact NZ-OE2 3.49Å; F802-E806 HydrophobicContact CD2-CB 4.38Å; F802-E806 HydrophobicContact CD2-CG 4.27Å; F802-E806 HydrophobicContact CE2-CB 4.25Å; F802-E806 HydrophobicContact CE2-CG 4.28Å; F802-E806 WeakPolarHBondContact CE2-OE2 3.03Å; F802-E806 PolarHBondContact O-N 2.67Å; F802-E806 VanDerWaalsContact O-N 3.12Å; E806-S810 PolarHBondContact O-OG 3.33Å
807	L	57.7	Low	53.9	Low	77 Å²	77	93 Å²	93	40%	0.403	49%	0.491	S	S	.	.	I	π-helix	trans	-95.1	-41.4	-170.8	-123.2	149.9	0	0	0	113.4	F802 M803 S810 A811	F802-L807 HydrophobicContact CD1-CD1 4.48Å; F802-L807 HydrophobicContact CE1-CD1 4.11Å; M803-L807 WeakPolarHBondContact O-CB 3.41Å; L807-S810 WeakPolarHBondContact O-CB 3.41Å; L807-S810 PolarHBondContact O-N 3.01Å; L807-A811 WeakPolarHBondContact O-CB 3.12Å; L807-A811 PolarHBondContact O-N 3.27Å
808	L	58	Low	52.7	Low	108 Å²	108	105.6 Å²	105.6	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-66.1	-39.7	178	-75.6	172.1	0	0	0	115.1	M803 K804 S810 A811 G812	M803-L808 WeakPolarHBondContact O-CG 3.28Å; M803-L808 PolarHBondContact O-N 2.77Å; K804-L808 HydrophobicContact CB-CD1 4.34Å; K804-L808 HydrophobicContact CG-CD1 3.89Å; L808-S810 PolarHBondContact O-N 3.35Å; L808-A811 PolarHBondContact O-N 3.47Å; L808-G812 PolarHBondContact O-N 3.13Å
809	P	57.7	Low	52.3	Low	77 Å²	77	105.9 Å²	105.9	50%	0.5	53%	0.533	S	S	.	.	H	α-helix	trans	-63.5	-35.5	175.5	-18.2	30.6	0	0	0	111.8	D805	D805-P809 WeakPolarHBondContact O-CG 3.48Å
810	S	51.5	Low	51.8	Low	50 Å²	50	106.9 Å²	106.9	35%	0.35	54%	0.538	S	S	.	.	H	α-helix	trans	-70.8	-34.2	178.4	-50.8	0	0	0	0	112.6	E806 L807 L808	E806-S810 PolarHBondContact O-OG 3.33Å; L807-S810 WeakPolarHBondContact O-CB 3.41Å; L807-S810 PolarHBondContact O-N 3.01Å; L808-S810 PolarHBondContact O-N 3.35Å
811	A	49.1	Very low	51.5	Low	37 Å²	37	104 Å²	104	31%	0.306	53%	0.526	S	S	.	.	H	α-helix	trans	-82.4	-31	176.9	0	0	0	0	0	113.4	L807 L808 E813 L814 L815	L807-A811 WeakPolarHBondContact O-CB 3.12Å; L807-A811 PolarHBondContact O-N 3.27Å; L808-A811 PolarHBondContact O-N 3.47Å; A811-E813 VanDerWaalsContact C-N 3.34Å; A811-E813 PolarHBondContact O-N 3.36Å; A811-L814 WeakPolarHBondContact O-CB 3.48Å; A811-L814 PolarHBondContact O-N 3.46Å; A811-L814 VanDerWaalsContact O-N 3.12Å; A811-L815 PolarHBondContact O-N 3.07Å
812	G	48.7	Very low	51	Low	38 Å²	38	107.1 Å²	107.1	39%	0.392	54%	0.536	S	S	.	.	H	α-helix	trans	-62.4	-35.4	178.5	0	0	0	0	0	113.7	L808 L814	L808-G812 PolarHBondContact O-N 3.13Å; G812-L814 VanDerWaalsContact C-N 3.34Å
813	E	44.8	Very low	50.3	Low	115 Å²	115	111.9 Å²	111.9	54%	0.537	56%	0.561	S	S	.	*	H	α-helix	trans	-72.4	-24.4	174	-77.4	-175.2	162.8	0	0	113.5	A811	A811-E813 VanDerWaalsContact C-N 3.34Å; A811-E813 PolarHBondContact O-N 3.36Å
814	L	43.5	Very low	49.6	Very low	113 Å²	113	111.9 Å²	111.9	59%	0.592	56%	0.562	S	S	*	*	H	α-helix	trans	-79.2	-28.8	177.6	-83.7	159.6	0	0	0	112.7	A811 G812 R817	A811-L814 WeakPolarHBondContact O-CB 3.48Å; A811-L814 PolarHBondContact O-N 3.46Å; A811-L814 VanDerWaalsContact O-N 3.12Å; G812-L814 VanDerWaalsContact C-N 3.34Å; L814-R817 PolarHBondContact O-N 3.22Å
815	L	39.8	Very low	49	Very low	138 Å²	138	109.5 Å²	109.5	72%	0.723	56%	0.556	S	S	*	*	H	α-helix	trans	-77.1	-23.5	178.7	-85.5	152.3	0	0	0	113.5	A811 R817	A811-L815 PolarHBondContact O-N 3.07Å; L815-R817 PolarHBondContact O-N 3.48Å
816	N	38.7	Very low	48.2	Very low	151 Å²	151	108.5 Å²	108.5	81%	0.807	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	8.9	171.1	-83.2	-12	0	0	0	113.9
817	R	44	Very low	47.2	Very low	142 Å²	142	112.9 Å²	112.9	54%	0.536	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.1	15.9	177.5	-77.9	-170	175.9	177	5.6	114.6	L814 L815	L814-R817 PolarHBondContact O-N 3.22Å; L815-R817 PolarHBondContact O-N 3.48Å
818	R	33.6	Very low	46.3	Very low	309 Å²	309	116.2 Å²	116.2	100%	1.166	59%	0.589	S	S	*	*			trans	-102.7	0	168.1	-85.1	-169.6	177.1	-179	0.8	112.3

Retrieved 818 of 818 residues in 1867.2 ms (Link to these results)

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