A0A077Z953_TRITR Loading...

histidine kinase

AlphaFold DB , UniProt , Accession A0A077Z953, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,077 aa.

						>A0A077Z953_TRITR|A0A077Z953
MRTLFDGNTVMLKRLLKRPSLNLLAWLLLAAFYISICLNIAFFKQVLQALPLDSLHNVLVFLSMPVVAFSVINIVLTLSSFLWLNRPLACLFILVGAAAQYFIMTYGIVIDRSMIANIIDTTPAESYALMTPQMLLTLGFSGVLAALIACWIKIKPATSRLRSVLFRGANILVSVLLILLVAALFYKDYASLFRNNKELVKSLSPSNSIVASWSWYSHQRLANLPLVRIGEDAHRNPLMQNEKRKNLTILIVGETSRAENFSLNGYPRETNPRLAKDNVVYFPNTASCGTATAVSVPCMFSDMPREHYKEELAQHQEGVLDIIQRAGINVLWNDNDGGCKGACDRVPHQNVTALNLPDQCINGECYDEVLFHGLEEYINNLQGDGVIVLHTIGSHGPTYYNRYPPQFRKFTPTCDTNEIQTCTKEQLVNTYDNTLVYVDYIVDKAINLLKEHQDKFTTSLVYLSDHGESLGENGIYLHGLPYAIAPDSQKQVPMLLWLSEDYQKRYQVDQNCLQKQAQTQHYSQDNLFSTLLGLTGVETKYYQAADDILQTCRRGLILAAQTEGYACDGVTTARMAEQSLEAGHYSLVVLDLGLPDEDGLHFLARIRQKKYTLPVLILTARDTLTDKIAGLDVGADDYLVKPFALEELHARIRALLRRHNNQGESELIVGNLTLNMGRRQVWMGGEELILTPKEYALLSRLMLKAGSPVHREILYNDIYNWDNEPSTNTLEVHIHNLRDKLISVFWLWHESTEQIQLFEQALRDNRNNDRHIMREIREAVASLIVPGVFMVSLTLFICYQAVRRITRPLAELQKELEARTADNLTPIAIHSATLEIEAVVSALNDLVSRLTSTLDNERLFTADVAHELRTPLAGVRLHLELLAKTHHIDVAPLVARLDQMMESVSQLLQLARAGQSFSSGNYQHVKLLEDVILPSYDELSTMLDQRQQTLLLPESAADITVQGDATLLRMLLRNLVENAHRYSPQGSNIMIKLQEDDGAVMAVEDEGPGIDESKCGELSKAFVRMDSRYGGIGLGLSIVSRITQLHHGQFFLQNRQETSGTRAWVRLKKDQYVANQI
					

Structure Viewer

Loading PAE data...

(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	38.5	Very low	48.2	Very low	206 Å²	206	130.1 Å²	130.1	100%	1.015	68%	0.678	S	S	*	*				0	-38.8	0	-89.5	179.2	172.5	0	0	114.2	T3	M1-T3 PolarHBondContact O-N 3.07Å
2	R	42.1	Very low	48.2	Very low	236 Å²	236	128.3 Å²	128.3	89%	0.891	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-66.5	-26.5	177	-88.7	-178.6	174.6	175.6	-2.1	115.9	L4	R2-L4 PolarHBondContact O-N 3.33Å
3	T	48.2	Very low	48.3	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-79.7	-10.7	-178.3	39.4	0	0	0	0	115.3	M1 F5	M1-T3 PolarHBondContact O-N 3.07Å; T3-F5 VanDerWaalsContact C-N 3.34Å
4	L	47.1	Very low	48.5	Very low	137 Å²	137	134.5 Å²	134.5	72%	0.717	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-83.1	-8.5	175	-86.3	155.7	0	0	0	113.3	R2	R2-L4 PolarHBondContact O-N 3.33Å
5	F	49.1	Very low	48.8	Very low	155 Å²	155	133.9 Å²	133.9	68%	0.68	67%	0.671	S	S	*	*	H	α-helix	trans	-95.9	-14.9	-179	-80.2	-82.2	0	0	0	114.9	T3 T9	T3-F5 VanDerWaalsContact C-N 3.34Å; F5-T9 PolarHBondContact O-OG1 3.44Å
6	D	52.1	Low	49.4	Very low	120 Å²	120	132.3 Å²	132.3	64%	0.642	67%	0.665	S	S	*	*	H	α-helix	trans	-85.2	-26.7	-178.7	-76.7	-21.9	0	0	0	113.7	T9	D6-T9 PolarHBondContact O-OG1 3.48Å; D6-T9 VanDerWaalsContact O-OG1 3.1Å
7	G	51.1	Low	50.6	Low	54 Å²	54	133.8 Å²	133.8	56%	0.557	67%	0.666	S	S	*	*	H	α-helix	trans	-73.8	-40.1	177.3	0	0	0	0	0	113.5
8	N	49.8	Very low	52.1	Low	118 Å²	118	135.1 Å²	135.1	63%	0.631	66%	0.662	S	S	*	*	H	α-helix	trans	-73.2	-28.7	-178.6	-81	-11.6	0	0	0	112.6	L12	N8-L12 VanDerWaalsContact O-CB 3.31Å; N8-L12 WeakPolarHBondContact O-CB 3.24Å; N8-L12 PolarHBondContact O-N 3.31Å
9	T	50.5	Low	53.8	Low	66 Å²	66	131 Å²	131	41%	0.405	65%	0.647	S	S	.	*	H	α-helix	trans	-71.1	-30.9	179.1	43.4	0	0	0	0	113.1	F5 D6 K13	F5-T9 PolarHBondContact O-OG1 3.44Å; D6-T9 PolarHBondContact O-OG1 3.48Å; D6-T9 VanDerWaalsContact O-OG1 3.1Å; T9-K13 WeakPolarHBondContact O-CB 3.23Å; T9-K13 WeakPolarHBondContact O-CG 3.33Å; T9-K13 PolarHBondContact O-N 3.24Å
10	V	52.2	Low	55.3	Low	87 Å²	87	127.2 Å²	127.2	53%	0.527	63%	0.633	S	S	.	*	H	α-helix	trans	-75.1	-38.4	176.4	-180	0	0	0	0	111.6	R14	V10-R14 PolarHBondContact O-N 3.44Å
11	M	49.5	Very low	56.9	Low	128 Å²	128	123.7 Å²	123.7	63%	0.631	62%	0.617	S	S	*	*	H	α-helix	trans	-72.3	-41.9	176.7	-159	-175.2	178.2	0	0	111.7	K13 R14 L15	M11-K13 PolarHBondContact O-N 2.88Å; M11-R14 PolarHBondContact O-N 3.16Å; M11-R14 VanDerWaalsContact O-N 3.17Å; M11-L15 HydrophobicContact CG-CD1 4.33Å; M11-L15 PolarHBondContact O-N 3.07Å
12	L	48.4	Very low	59.4	Low	109 Å²	109	118.1 Å²	118.1	57%	0.571	59%	0.591	S	S	*	*	H	α-helix	trans	-61.9	-42.5	172.4	-132	82.2	0	0	0	111	N8 R14 L15 L16	N8-L12 VanDerWaalsContact O-CB 3.31Å; N8-L12 WeakPolarHBondContact O-CB 3.24Å; N8-L12 PolarHBondContact O-N 3.31Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-L16 HydrophobicContact CB-CD1 4.42Å; L12-L16 HydrophobicContact CD2-CD1 4.05Å; L12-L16 HydrophobicContact CG-CD1 4.03Å; L12-L16 VanDerWaalsContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 WeakPolarHBondContact O-CD1 3.34Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.22Å
13	K	49.2	Very low	61.6	Low	157 Å²	157	108.5 Å²	108.5	68%	0.683	56%	0.557	S	S	*	*	H	α-helix	trans	-64.2	-28.4	175.4	-82.2	176.3	178	176.6	0	113.4	T9 M11 K17	T9-K13 WeakPolarHBondContact O-CB 3.23Å; T9-K13 WeakPolarHBondContact O-CG 3.33Å; T9-K13 PolarHBondContact O-N 3.24Å; M11-K13 PolarHBondContact O-N 2.88Å; K13-K17 WeakPolarHBondContact O-CG 3.29Å
14	R	51.2	Low	63.7	Low	186 Å²	186	104.9 Å²	104.9	70%	0.702	53%	0.533	S	S	*	.	H	α-helix	trans	-76.1	-40.4	173.3	-83.7	-175.6	177.2	-170.9	-0.4	112.1	V10 M11 L12 L16 K17	V10-R14 PolarHBondContact O-N 3.44Å; M11-R14 PolarHBondContact O-N 3.16Å; M11-R14 VanDerWaalsContact O-N 3.17Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.08Å; R14-L16 VanDerWaalsContact C-N 3.33Å; R14-K17 PolarHBondContact O-N 3.29Å
15	L	52.8	Low	65.8	Low	126 Å²	126	100 Å²	100	66%	0.66	51%	0.512	S	S	*	.	H	α-helix	trans	-68.6	-29.5	174.9	-79.8	154.6	0	0	0	112.8	M11 L12	M11-L15 HydrophobicContact CG-CD1 4.33Å; M11-L15 PolarHBondContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.24Å
16	L	59.3	Low	68	Low	108 Å²	108	92.8 Å²	92.8	57%	0.565	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	5.8	177.5	-76.2	154.6	0	0	0	114.3	L12 R14 R18	L12-L16 HydrophobicContact CB-CD1 4.42Å; L12-L16 HydrophobicContact CD2-CD1 4.05Å; L12-L16 HydrophobicContact CG-CD1 4.03Å; L12-L16 VanDerWaalsContact O-CB 3.29Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 WeakPolarHBondContact O-CD1 3.34Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.22Å; R14-L16 VanDerWaalsContact C-N 3.33Å; L16-R18 PolarHBondContact O-N 2.82Å
17	K	69.8	Low	70	Confident	158 Å²	158	87.1 Å²	87.1	69%	0.687	45%	0.45	S	S	*	.			trans	-65.5	106	172.9	-80.2	-169.5	179.1	-176.8	0	108.8	K13 R14	K13-K17 WeakPolarHBondContact O-CG 3.29Å; R14-K17 PolarHBondContact O-N 3.29Å
18	R	76.4	Confident	72.2	Confident	156 Å²	156	87.2 Å²	87.2	59%	0.589	44%	0.438	S	S	*	.			trans	-51.3	122.7	176.3	-66.6	-173.6	-177.8	-169.6	2.1	109.6	L16 S20 W151 K153	L16-R18 PolarHBondContact O-N 2.82Å; R18-S20 PolarHBondContact O-N 3.4Å; R18-W151 HydrophobicContact CG-CD2 4.49Å; R18-W151 HydrophobicContact CG-CZ2 4.17Å; R18-K153 HydrophobicContact CB-CB 4.34Å
19	P	84.3	Confident	74.3	Confident	58 Å²	58	85.9 Å²	85.9	38%	0.377	43%	0.43	S	S	.	.			trans	-57.8	142.3	173.3	25	-33.4	0	0	0	108.7	W151 I152 K153	P19-W151 VanDerWaalsContact CD-CH2 3.44Å; P19-W151 HydrophobicContact CG-CE3 4.03Å; P19-W151 HydrophobicContact CG-CH2 4.41Å; P19-W151 HydrophobicContact CG-CZ3 3.69Å; P19-I152 HydrophobicContact CG-CG1 3.97Å; P19-K153 PolarHBondContact O-N 2.73Å
20	S	84.6	Confident	76.5	Confident	54 Å²	54	83.2 Å²	83.2	38%	0.378	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	110.9	-176.9	59.6	0	0	0	0	111.4	R18 K153 K155	R18-S20 PolarHBondContact O-N 3.4Å; S20-K153 WeakPolarHBondContact CA-O 3.44Å; S20-K155 VanDerWaalsContact O-CE 3.29Å; S20-K155 WeakPolarHBondContact O-CE 3.3Å; S20-K155 WeakPolarHBondContact OG-CE 3.33Å
21	L	88.6	Confident	78.6	Confident	55 Å²	55	79 Å²	79	29%	0.288	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	153	178.1	-67.4	177.7	0	0	0	110	W26 L29 I152 K153 I154 K155	L21-W26 HydrophobicContact CB-CB 4.32Å; L21-L29 HydrophobicContact CD1-CD2 4Å; L21-I152 HydrophobicContact CB-CG2 4.12Å; L21-I152 HydrophobicContact CD1-CD1 4.37Å; L21-I152 HydrophobicContact CD1-CG2 4.01Å; L21-I152 HydrophobicContact CG-CG2 4Å; L21-K153 PolarHBondContact N-O 2.82Å; L21-K153 VanDerWaalsContact N-O 3.12Å; L21-I154 WeakPolarHBondContact O-CA 3.47Å; L21-K155 PolarHBondContact O-N 3.28Å
22	N	90.1	Very high	80.9	Confident	89 Å²	89	77.8 Å²	77.8	48%	0.476	38%	0.381	S	S	.	.			trans	-69.1	158.6	163.4	66.8	26.4	0	0	0	108.9	L24 A25 W26	N22-L24 VanDerWaalsContact C-N 3.27Å; N22-L24 PolarHBondContact O-N 2.83Å; N22-A25 PolarHBondContact O-N 3.17Å; N22-A25 WeakPolarHBondContact OD1-CA 3.42Å; N22-A25 WeakPolarHBondContact OD1-CB 3.46Å; N22-A25 PolarHBondContact OD1-N 2.95Å; N22-W26 PolarHBondContact O-N 2.82Å; N22-W26 VanDerWaalsContact O-N 3.08Å
23	L	90.3	Very high	83.2	Confident	33 Å²	33	75.5 Å²	75.5	17%	0.173	37%	0.365	C	S	.	.	H	α-helix	trans	-57.8	-41.8	-176.4	177.5	61.7	0	0	0	112	W26 L27 I154	L23-W26 PolarHBondContact O-N 2.86Å; L23-L27 HydrophobicContact CD1-CD1 4.34Å; L23-L27 HydrophobicContact CD1-CG 4.31Å; L23-L27 HydrophobicContact CG-CD1 4.09Å; L23-L27 HydrophobicContact CG-CG 4.49Å; L23-L27 VanDerWaalsContact O-CG 3.31Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 3.34Å; L23-I154 HydrophobicContact CB-CG2 3.83Å; L23-I154 HydrophobicContact CD1-CD1 4.03Å; L23-I154 HydrophobicContact CD1-CG2 4.07Å
24	L	91.2	Very high	85.5	Confident	48 Å²	48	68 Å²	68	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-48.1	-178.3	-171.9	71.1	0	0	0	112.3	N22 W26 L27 L28 N170	N22-L24 VanDerWaalsContact C-N 3.27Å; N22-L24 PolarHBondContact O-N 2.83Å; L24-W26 VanDerWaalsContact C-N 3.28Å; L24-W26 PolarHBondContact O-N 2.94Å; L24-L27 WeakPolarHBondContact O-CB 3.31Å; L24-L27 PolarHBondContact O-N 3.11Å; L24-L27 VanDerWaalsContact O-N 3.17Å; L24-L28 HydrophobicContact CG-CD1 4.13Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 2.99Å; L24-L28 PolarHBondContact O-N 3.19Å; L24-N170 HydrophobicContact CD1-CB 3.6Å; L24-N170 VanDerWaalsContact CD1-CG 3.48Å
25	A	92.2	Very high	87.6	Confident	35 Å²	35	59.1 Å²	59.1	29%	0.289	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-34.1	177.6	0	0	0	0	0	111.8	N22 L29	N22-A25 PolarHBondContact O-N 3.17Å; N22-A25 WeakPolarHBondContact OD1-CA 3.42Å; N22-A25 WeakPolarHBondContact OD1-CB 3.46Å; N22-A25 PolarHBondContact OD1-N 2.95Å; A25-L29 VanDerWaalsContact O-CB 3.26Å; A25-L29 WeakPolarHBondContact O-CB 3.5Å; A25-L29 PolarHBondContact O-N 3.28Å
26	W	94.7	Very high	89.7	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-43.5	173.1	-176.6	91.9	0	0	0	111.5	L21 N22 L23 L24 L29 A30 N85 R86 A89 A149 I154	L21-W26 HydrophobicContact CB-CB 4.32Å; N22-W26 PolarHBondContact O-N 2.82Å; N22-W26 VanDerWaalsContact O-N 3.08Å; L23-W26 PolarHBondContact O-N 2.86Å; L24-W26 VanDerWaalsContact C-N 3.28Å; L24-W26 PolarHBondContact O-N 2.94Å; W26-L29 PolarHBondContact O-N 3.34Å; W26-A30 WeakPolarHBondContact O-CB 3.23Å; W26-A30 PolarHBondContact O-N 3.36Å; W26-N85 HydrophobicContact CH2-CB 4.5Å; W26-N85 WeakPolarHBondContact CH2-O 3.38Å; W26-N85 HydrophobicContact CZ3-CB 3.93Å; W26-N85 WeakPolarHBondContact CZ3-ND2 3.49Å; W26-R86 HydrophobicContact CH2-CG 4.14Å; W26-R86 HydrophobicContact CZ2-CG 4.03Å; W26-A89 HydrophobicContact CH2-CB 3.7Å; W26-A89 HydrophobicContact CZ2-CB 4.42Å; W26-A89 HydrophobicContact CZ3-CB 4.46Å; W26-A149 HydrophobicContact CZ2-CB 4.22Å; W26-A149 PolarHBondContact NE1-O 3.25Å; W26-I154 HydrophobicContact CD2-CD1 4.19Å; W26-I154 HydrophobicContact CE3-CD1 4.5Å; W26-I154 HydrophobicContact CG-CD1 4.37Å; W26-I154 HydrophobicContact CG-CG1 4.19Å
27	L	94.6	Very high	91.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-46.6	176.5	-69.6	168.6	0	0	0	111.7	L23 L24 L29 A30 A31 L76 T77 N85	L23-L27 HydrophobicContact CD1-CD1 4.34Å; L23-L27 HydrophobicContact CD1-CG 4.31Å; L23-L27 HydrophobicContact CG-CD1 4.09Å; L23-L27 HydrophobicContact CG-CG 4.49Å; L23-L27 VanDerWaalsContact O-CG 3.31Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 3.34Å; L24-L27 WeakPolarHBondContact O-CB 3.31Å; L24-L27 PolarHBondContact O-N 3.11Å; L24-L27 VanDerWaalsContact O-N 3.17Å; L27-L29 PolarHBondContact O-N 3.27Å; L27-A30 PolarHBondContact O-N 3.43Å; L27-A31 VanDerWaalsContact O-CB 3.31Å; L27-A31 WeakPolarHBondContact O-CB 3.19Å; L27-A31 PolarHBondContact O-N 3.24Å; L27-L76 HydrophobicContact CD2-CB 3.82Å; L27-L76 VanDerWaalsContact CD2-O 3.31Å; L27-L76 WeakPolarHBondContact CD2-O 3.47Å; L27-T77 HydrophobicContact CD1-CG2 4.42Å; L27-N85 HydrophobicContact CD2-CB 4.04Å
28	L	95.6	Very high	92.7	Very high	57 Å²	57	45.1 Å²	45.1	30%	0.298	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-41.8	177.7	-66.4	169.3	0	0	0	111.5	L24 A31 F32 F69	L24-L28 HydrophobicContact CG-CD1 4.13Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 2.99Å; L24-L28 PolarHBondContact O-N 3.19Å; L28-A31 PolarHBondContact O-N 3.43Å; L28-F32 VanDerWaalsContact O-CB 3.28Å; L28-F32 WeakPolarHBondContact O-CB 3.37Å; L28-F32 PolarHBondContact O-N 3.38Å; L28-F69 HydrophobicContact CB-CZ 4.35Å; L28-F69 HydrophobicContact CD2-CE1 4.08Å; L28-F69 HydrophobicContact CD2-CZ 3.6Å; L28-F69 WeakPolarHBondContact O-CE2 3.47Å
29	L	95.6	Very high	93.6	Very high	90 Å²	90	37.7 Å²	37.7	47%	0.471	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-43.8	177.3	-177.9	65.2	0	0	0	112	L21 A25 W26 L27 F32 Y33 I152	L21-L29 HydrophobicContact CD1-CD2 4Å; A25-L29 VanDerWaalsContact O-CB 3.26Å; A25-L29 WeakPolarHBondContact O-CB 3.5Å; A25-L29 PolarHBondContact O-N 3.28Å; W26-L29 PolarHBondContact O-N 3.34Å; L27-L29 PolarHBondContact O-N 3.27Å; L29-F32 PolarHBondContact O-N 3.28Å; L29-Y33 PolarHBondContact O-N 3.38Å; L29-I152 HydrophobicContact CD2-CD1 4.33Å
30	A	95.4	Very high	94.2	Very high	9 Å²	9	39.3 Å²	39.3	7%	0.074	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-45	176.5	0	0	0	0	0	111.4	W26 L27 F32 Y33 I34 L76 A89	W26-A30 WeakPolarHBondContact O-CB 3.23Å; W26-A30 PolarHBondContact O-N 3.36Å; L27-A30 PolarHBondContact O-N 3.43Å; A30-F32 VanDerWaalsContact C-N 3.34Å; A30-F32 PolarHBondContact O-N 3.44Å; A30-Y33 PolarHBondContact O-N 3.35Å; A30-I34 WeakPolarHBondContact O-CD1 3.4Å; A30-I34 VanDerWaalsContact O-CG1 3.29Å; A30-I34 WeakPolarHBondContact O-CG1 3.32Å; A30-I34 PolarHBondContact O-N 3.25Å; A30-L76 HydrophobicContact CB-CD1 3.96Å; A30-A89 HydrophobicContact CB-CB 4.39Å
31	A	96.9	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-41.7	176.3	0	0	0	0	0	111.9	L27 L28 I34 S35 F69 I72 N73 L76	L27-A31 VanDerWaalsContact O-CB 3.31Å; L27-A31 WeakPolarHBondContact O-CB 3.19Å; L27-A31 PolarHBondContact O-N 3.24Å; L28-A31 PolarHBondContact O-N 3.43Å; A31-I34 PolarHBondContact O-N 3.15Å; A31-S35 VanDerWaalsContact O-CB 3.22Å; A31-S35 WeakPolarHBondContact O-CB 3.34Å; A31-S35 PolarHBondContact O-N 2.92Å; A31-S35 PolarHBondContact O-OG 3.21Å; A31-F69 HydrophobicContact CB-CD2 3.98Å; A31-F69 HydrophobicContact CB-CE2 3.77Å; A31-F69 HydrophobicContact CB-CZ 4.47Å; A31-I72 HydrophobicContact CB-CG2 4Å; A31-N73 HydrophobicContact CB-CB 3.87Å; A31-L76 HydrophobicContact CB-CD1 4.22Å
32	F	97.1	Very high	94.9	Very high	102 Å²	102	34.7 Å²	34.7	45%	0.447	18%	0.183	S	C	.	.	H	α-helix	trans	-59.4	-50.2	176.4	179.6	-88.3	0	0	0	111.1	L28 L29 A30 I34 S35 I36 F69	L28-F32 VanDerWaalsContact O-CB 3.28Å; L28-F32 WeakPolarHBondContact O-CB 3.37Å; L28-F32 PolarHBondContact O-N 3.38Å; L29-F32 PolarHBondContact O-N 3.28Å; A30-F32 VanDerWaalsContact C-N 3.34Å; A30-F32 PolarHBondContact O-N 3.44Å; F32-I34 PolarHBondContact O-N 3.49Å; F32-S35 PolarHBondContact O-OG 2.78Å; F32-I36 HydrophobicContact CD2-CD1 3.46Å; F32-I36 VanDerWaalsContact CD2-CD1 3.46Å; F32-I36 HydrophobicContact CE2-CD1 3.26Å; F32-I36 HydrophobicContact CG-CD1 4.2Å; F32-I36 HydrophobicContact CZ-CD1 3.87Å; F32-I36 WeakPolarHBondContact O-CB 3.4Å; F32-I36 PolarHBondContact O-N 2.73Å; F32-F69 HydrophobicContact CB-CD2 4.24Å; F32-F69 HydrophobicContact CB-CE2 3.89Å
33	Y	97.2	Very high	95.1	Very high	60 Å²	60	31.4 Å²	31.4	24%	0.235	17%	0.165	C	C	.	.	I	π-helix	trans	-61.6	-46.9	-179.9	-175.9	-99.9	0	0	0	112.3	L29 A30 C37 L38 I93 S141 A145	L29-Y33 PolarHBondContact O-N 3.38Å; A30-Y33 PolarHBondContact O-N 3.35Å; Y33-C37 HydrophobicContact CD2-CB 3.73Å; Y33-C37 HydrophobicContact CE2-CB 3.76Å; Y33-C37 HydrophobicContact CG-CB 4.34Å; Y33-C37 WeakPolarHBondContact O-CA 3.18Å; Y33-C37 VanDerWaalsContact O-CB 3.26Å; Y33-C37 WeakPolarHBondContact O-CB 3.48Å; Y33-C37 PolarHBondContact O-N 3.32Å; Y33-L38 HydrophobicContact CD1-CD1 4.14Å; Y33-L38 HydrophobicContact CD1-CG 4.2Å; Y33-L38 HydrophobicContact CE1-CD1 3.85Å; Y33-L38 HydrophobicContact CE1-CD2 3.86Å; Y33-L38 HydrophobicContact CE1-CG 3.85Å; Y33-L38 PolarHBondContact O-N 3.44Å; Y33-I93 HydrophobicContact CD1-CD1 4.37Å; Y33-I93 HydrophobicContact CD1-CG1 4.08Å; Y33-I93 HydrophobicContact CE1-CG1 4.29Å; Y33-I93 HydrophobicContact CE1-CG2 4.18Å; Y33-S141 VanDerWaalsContact OH-CA 3.28Å; Y33-S141 WeakPolarHBondContact OH-CA 3.33Å; Y33-S141 PolarHBondContact OH-O 3.48Å; Y33-A145 HydrophobicContact CD1-CB 4.4Å; Y33-A145 HydrophobicContact CE1-CB 3.55Å
34	I	97.2	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-66.8	-46	-179.2	-62.5	160.4	0	0	0	110.8	A30 A31 F32 L38 N39 I72 L76 F92 I93	A30-I34 WeakPolarHBondContact O-CD1 3.4Å; A30-I34 VanDerWaalsContact O-CG1 3.29Å; A30-I34 WeakPolarHBondContact O-CG1 3.32Å; A30-I34 PolarHBondContact O-N 3.25Å; A31-I34 PolarHBondContact O-N 3.15Å; F32-I34 PolarHBondContact O-N 3.49Å; I34-L38 HydrophobicContact CG1-CD1 4.41Å; I34-L38 WeakPolarHBondContact O-CB 3.3Å; I34-N39 PolarHBondContact O-ND2 2.9Å; I34-I72 HydrophobicContact CB-CD1 4.29Å; I34-I72 HydrophobicContact CB-CG2 4.24Å; I34-I72 HydrophobicContact CD1-CG2 4.31Å; I34-I72 HydrophobicContact CG2-CD1 3.68Å; I34-I72 HydrophobicContact CG2-CG1 4.44Å; I34-I72 HydrophobicContact CG2-CG2 4.25Å; I34-L76 HydrophobicContact CD1-CD1 4.18Å; I34-F92 HydrophobicContact CD1-CB 3.77Å; I34-F92 HydrophobicContact CD1-CD2 4.4Å; I34-F92 HydrophobicContact CG1-CB 4.4Å; I34-F92 HydrophobicContact CG2-CB 4.33Å; I34-I93 HydrophobicContact CD1-CG1 4.16Å; I34-I93 HydrophobicContact CG1-CG1 3.78Å
35	S	96.3	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-74.4	-28.6	-175	58.4	0	0	0	0	114.5	A31 F32 N39 F69	A31-S35 VanDerWaalsContact O-CB 3.22Å; A31-S35 WeakPolarHBondContact O-CB 3.34Å; A31-S35 PolarHBondContact O-N 2.92Å; A31-S35 PolarHBondContact O-OG 3.21Å; F32-S35 PolarHBondContact O-OG 2.78Å; S35-N39 WeakPolarHBondContact O-CB 3.18Å; S35-F69 VanDerWaalsContact CB-CA 3.48Å; S35-F69 WeakPolarHBondContact OG-CA 3.17Å
36	I	95.4	Very high	95.3	Very high	53 Å²	53	34 Å²	34	27%	0.272	17%	0.167	S	C	.	.	I	π-helix	trans	-108.4	-56.3	-175.1	-65.9	165.7	0	0	0	110.8	F32 L38 N39 P65	F32-I36 HydrophobicContact CD2-CD1 3.46Å; F32-I36 VanDerWaalsContact CD2-CD1 3.46Å; F32-I36 HydrophobicContact CE2-CD1 3.26Å; F32-I36 HydrophobicContact CG-CD1 4.2Å; F32-I36 HydrophobicContact CZ-CD1 3.87Å; F32-I36 WeakPolarHBondContact O-CB 3.4Å; F32-I36 PolarHBondContact O-N 2.73Å; I36-L38 PolarHBondContact O-N 3.3Å; I36-N39 PolarHBondContact O-N 3.19Å; I36-P65 HydrophobicContact CG1-CB 4.2Å
37	C	96	Very high	95.2	Very high	43 Å²	43	37 Å²	37	29%	0.291	18%	0.183	S	C	.	.	I	π-helix	trans	-73.4	-29.9	-173.5	-57.3	0	0	0	0	113.4	Y33 I40 Q100	Y33-C37 HydrophobicContact CD2-CB 3.73Å; Y33-C37 HydrophobicContact CE2-CB 3.76Å; Y33-C37 HydrophobicContact CG-CB 4.34Å; Y33-C37 WeakPolarHBondContact O-CA 3.18Å; Y33-C37 VanDerWaalsContact O-CB 3.26Å; Y33-C37 WeakPolarHBondContact O-CB 3.48Å; Y33-C37 PolarHBondContact O-N 3.32Å; C37-I40 WeakPolarHBondContact O-CD1 3.41Å; C37-Q100 PolarHBondContact O-NE2 2.89Å; C37-Q100 PolarHBondContact O-OE1 3.05Å
38	L	96.6	Very high	94.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	11.7	179.4	-54.2	-177.4	0	0	0	113.5	Y33 I34 I36 I93 A97 Q100	Y33-L38 HydrophobicContact CD1-CD1 4.14Å; Y33-L38 HydrophobicContact CD1-CG 4.2Å; Y33-L38 HydrophobicContact CE1-CD1 3.85Å; Y33-L38 HydrophobicContact CE1-CD2 3.86Å; Y33-L38 HydrophobicContact CE1-CG 3.85Å; Y33-L38 PolarHBondContact O-N 3.44Å; I34-L38 HydrophobicContact CG1-CD1 4.41Å; I34-L38 WeakPolarHBondContact O-CB 3.3Å; I36-L38 PolarHBondContact O-N 3.3Å; L38-I93 HydrophobicContact CD1-CB 4.38Å; L38-I93 HydrophobicContact CD1-CG1 4.4Å; L38-I93 HydrophobicContact CD1-CG2 4.47Å; L38-I93 WeakPolarHBondContact CD1-O 3.32Å; L38-A97 HydrophobicContact CD2-CB 4.1Å; L38-Q100 PolarHBondContact O-OE1 3.1Å
39	N	96.5	Very high	94.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.218	C	C	.	.			trans	-128.8	19.6	177	-80.9	-75.6	0	0	0	112.9	I34 S35 I36 A41 F42 F43 Q100 L203 S204	I34-N39 PolarHBondContact O-ND2 2.9Å; S35-N39 WeakPolarHBondContact O-CB 3.18Å; I36-N39 PolarHBondContact O-N 3.19Å; N39-A41 PolarHBondContact O-N 3.41Å; N39-F42 HydrophobicContact CB-CB 4.38Å; N39-F42 WeakPolarHBondContact O-CB 3.43Å; N39-F42 PolarHBondContact O-N 3.19Å; N39-F42 VanDerWaalsContact O-N 3.15Å; N39-F43 HydrophobicContact CB-CD2 4.34Å; N39-F43 HydrophobicContact CB-CE2 3.75Å; N39-F43 HydrophobicContact CB-CZ 4.25Å; N39-F43 WeakPolarHBondContact O-CD2 3.48Å; N39-F43 WeakPolarHBondContact O-CE2 3.33Å; N39-F43 PolarHBondContact O-N 3.19Å; N39-Q100 VanDerWaalsContact N-OE1 3.11Å; N39-L203 WeakPolarHBondContact OD1-CD1 3.17Å; N39-S204 PolarHBondContact ND2-O 2.92Å; N39-S204 PolarHBondContact OD1-N 3.2Å; N39-S204 PolarHBondContact OD1-O 3.5Å
40	I	95.9	Very high	94.2	Very high	91 Å²	91	40.1 Å²	40.1	47%	0.467	20%	0.201	S	C	.	.	H	α-helix	trans	-57.4	-39.2	175.2	-62.2	172.7	0	0	0	110.5	C37 F43 K44	C37-I40 WeakPolarHBondContact O-CD1 3.41Å; I40-F43 PolarHBondContact O-N 3.01Å; I40-K44 WeakPolarHBondContact O-CB 3.33Å; I40-K44 PolarHBondContact O-N 3.09Å
41	A	92.6	Very high	93.9	Very high	6 Å²	6	43.1 Å²	43.1	5%	0.05	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-45.7	176.6	0	0	0	0	0	112.2	N39 K44 Q45 Q100 I103	N39-A41 PolarHBondContact O-N 3.41Å; A41-K44 PolarHBondContact O-N 3.34Å; A41-Q45 WeakPolarHBondContact O-CG 3.37Å; A41-Q45 PolarHBondContact O-N 2.83Å; A41-Q45 VanDerWaalsContact O-N 3.1Å; A41-Q100 HydrophobicContact CB-CG 4.21Å; A41-I103 HydrophobicContact CB-CB 4.16Å; A41-I103 HydrophobicContact CB-CG2 3.72Å
42	F	95	Very high	93.6	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-49.7	174	165.2	-98.3	0	0	0	111.3	N39 K44 Q45 V46 M64 F193 L199 S202 L203	N39-F42 HydrophobicContact CB-CB 4.38Å; N39-F42 WeakPolarHBondContact O-CB 3.43Å; N39-F42 PolarHBondContact O-N 3.19Å; N39-F42 VanDerWaalsContact O-N 3.15Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 PolarHBondContact O-N 3.36Å; F42-Q45 PolarHBondContact O-N 3.04Å; F42-V46 HydrophobicContact CD1-CG2 4.37Å; F42-V46 HydrophobicContact CD2-CG2 4.23Å; F42-V46 HydrophobicContact CE1-CG2 3.91Å; F42-V46 HydrophobicContact CE2-CG2 3.76Å; F42-V46 HydrophobicContact CZ-CG2 3.58Å; F42-V46 WeakPolarHBondContact O-CG2 3.39Å; F42-V46 PolarHBondContact O-N 2.84Å; F42-M64 HydrophobicContact CE1-CB 4.44Å; F42-M64 HydrophobicContact CE1-SD 4.28Å; F42-M64 HydrophobicContact CZ-SD 4.15Å; F42-F193 AromaticContact CE2-CE1 3.99Å; F42-F193 HydrophobicContact CE2-CE1 3.99Å; F42-F193 HydrophobicContact CE2-CZ 4.21Å; F42-F193 HydrophobicContact CZ-CE1 4.25Å; F42-F193 AromaticContact CZ-CZ 4Å; F42-F193 HydrophobicContact CZ-CZ 4Å; F42-L199 WeakPolarHBondContact CD2-O 3.25Å; F42-S202 WeakPolarHBondContact CD2-OG 3.34Å; F42-L203 HydrophobicContact CD1-CD1 3.79Å; F42-L203 HydrophobicContact CD2-CB 4Å; F42-L203 HydrophobicContact CD2-CD1 4.11Å; F42-L203 HydrophobicContact CE1-CD1 3.97Å; F42-L203 HydrophobicContact CE2-CB 4.31Å; F42-L203 HydrophobicContact CE2-CD1 4.27Å; F42-L203 HydrophobicContact CG-CB 4.43Å; F42-L203 HydrophobicContact CG-CD1 3.88Å; F42-L203 HydrophobicContact CZ-CD1 4.21Å
43	F	95.4	Very high	93.3	Very high	21 Å²	21	48.1 Å²	48.1	9%	0.092	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-36.1	179.8	-60.8	-56.4	0	0	0	112.6	N39 I40 V46 L47 F61 M64 P65	N39-F43 HydrophobicContact CB-CD2 4.34Å; N39-F43 HydrophobicContact CB-CE2 3.75Å; N39-F43 HydrophobicContact CB-CZ 4.25Å; N39-F43 WeakPolarHBondContact O-CD2 3.48Å; N39-F43 WeakPolarHBondContact O-CE2 3.33Å; N39-F43 PolarHBondContact O-N 3.19Å; I40-F43 PolarHBondContact O-N 3.01Å; F43-V46 PolarHBondContact O-N 2.77Å; F43-L47 WeakPolarHBondContact O-CG 3.19Å; F43-L47 PolarHBondContact O-N 3.07Å; F43-F61 HydrophobicContact CB-CE2 4.19Å; F43-F61 HydrophobicContact CB-CZ 4.19Å; F43-F61 HydrophobicContact CD1-CE2 4.32Å; F43-M64 HydrophobicContact CE1-CB 4.2Å; F43-P65 HydrophobicContact CD1-CG 4.28Å; F43-P65 HydrophobicContact CE1-CB 4.27Å; F43-P65 HydrophobicContact CE1-CG 3.58Å; F43-P65 HydrophobicContact CE2-CG 4.5Å; F43-P65 HydrophobicContact CZ-CB 3.99Å; F43-P65 HydrophobicContact CZ-CG 3.72Å
44	K	92.7	Very high	93	Very high	122 Å²	122	47.4 Å²	47.4	53%	0.53	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-43.3	174.5	-174.3	-175.2	176.8	-171.2	0	111.6	I40 A41 F42 L47 Q48	I40-K44 WeakPolarHBondContact O-CB 3.33Å; I40-K44 PolarHBondContact O-N 3.09Å; A41-K44 PolarHBondContact O-N 3.34Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 PolarHBondContact O-N 3.36Å; K44-L47 PolarHBondContact O-N 2.96Å; K44-Q48 PolarHBondContact O-N 3.39Å
45	Q	91.3	Very high	92.8	Very high	47 Å²	47	53.9 Å²	53.9	22%	0.22	29%	0.288	C	S	.	.	H	α-helix	trans	-69.4	-39	177.4	-67.3	-179	12.6	0	0	112	A41 F42 L47 Q48 A49 L199 S202	A41-Q45 WeakPolarHBondContact O-CG 3.37Å; A41-Q45 PolarHBondContact O-N 2.83Å; A41-Q45 VanDerWaalsContact O-N 3.1Å; F42-Q45 PolarHBondContact O-N 3.04Å; Q45-L47 VanDerWaalsContact C-N 3.31Å; Q45-L47 PolarHBondContact O-N 2.87Å; Q45-Q48 WeakPolarHBondContact O-CB 3.48Å; Q45-Q48 PolarHBondContact O-N 2.83Å; Q45-Q48 VanDerWaalsContact O-N 3.12Å; Q45-A49 PolarHBondContact O-N 2.93Å; Q45-L199 HydrophobicContact CB-CD2 3.56Å; Q45-S202 PolarHBondContact OE1-OG 3.4Å
46	V	93.4	Very high	92.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-42.7	173.5	169.9	0	0	0	0	111.1	F42 F43 Q48 A49 L50 F61 M64 L192 L199	F42-V46 HydrophobicContact CD1-CG2 4.37Å; F42-V46 HydrophobicContact CD2-CG2 4.23Å; F42-V46 HydrophobicContact CE1-CG2 3.91Å; F42-V46 HydrophobicContact CE2-CG2 3.76Å; F42-V46 HydrophobicContact CZ-CG2 3.58Å; F42-V46 WeakPolarHBondContact O-CG2 3.39Å; F42-V46 PolarHBondContact O-N 2.84Å; F43-V46 PolarHBondContact O-N 2.77Å; V46-Q48 PolarHBondContact O-N 2.74Å; V46-A49 CarbonylContact O-C 3.52Å; V46-A49 PolarHBondContact O-N 2.93Å; V46-L50 HydrophobicContact CG1-CB 4.35Å; V46-L50 WeakPolarHBondContact O-CB 3.26Å; V46-L50 PolarHBondContact O-N 3.35Å; V46-F61 HydrophobicContact CG1-CD2 3.82Å; V46-F61 HydrophobicContact CG1-CE2 4.21Å; V46-M64 HydrophobicContact CB-SD 4.35Å; V46-M64 HydrophobicContact CG1-CE 3.73Å; V46-M64 HydrophobicContact CG1-SD 3.59Å; V46-M64 VanDerWaalsContact CG1-SD 3.59Å; V46-M64 HydrophobicContact CG2-SD 3.92Å; V46-L192 HydrophobicContact CG1-CD2 4.37Å; V46-L199 HydrophobicContact CG2-CD1 4.41Å; V46-L199 HydrophobicContact CG2-CD2 4.46Å
47	L	92.8	Very high	92.5	Very high	69 Å²	69	56.6 Å²	56.6	36%	0.361	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-24.8	178.5	-72.4	170.1	0	0	0	113.4	F43 K44 Q45 L52 F61	F43-L47 WeakPolarHBondContact O-CG 3.19Å; F43-L47 PolarHBondContact O-N 3.07Å; K44-L47 PolarHBondContact O-N 2.96Å; Q45-L47 VanDerWaalsContact C-N 3.31Å; Q45-L47 PolarHBondContact O-N 2.87Å; L47-L52 HydrophobicContact CD2-CD1 3.56Å; L47-L52 HydrophobicContact CD2-CD2 3.91Å; L47-L52 HydrophobicContact CD2-CG 3.58Å; L47-F61 HydrophobicContact CD1-CE2 4.26Å; L47-F61 HydrophobicContact CD1-CZ 4.03Å; L47-F61 HydrophobicContact CD2-CD1 4.42Å; L47-F61 HydrophobicContact CD2-CD2 3.87Å; L47-F61 HydrophobicContact CD2-CE1 4.2Å; L47-F61 HydrophobicContact CD2-CE2 3.62Å; L47-F61 HydrophobicContact CD2-CG 4.27Å; L47-F61 HydrophobicContact CD2-CZ 3.79Å; L47-F61 HydrophobicContact CG-CD2 4.27Å; L47-F61 HydrophobicContact CG-CE2 3.61Å; L47-F61 HydrophobicContact CG-CZ 3.87Å
48	Q	87.7	Confident	92.4	Very high	151 Å²	151	56.8 Å²	56.8	71%	0.706	30%	0.3	S	S	*	.	H	α-helix	trans	-75.5	-34.9	173	-66.9	175.2	-20	0	0	111.8	K44 Q45 V46	K44-Q48 PolarHBondContact O-N 3.39Å; Q45-Q48 WeakPolarHBondContact O-CB 3.48Å; Q45-Q48 PolarHBondContact O-N 2.83Å; Q45-Q48 VanDerWaalsContact O-N 3.12Å; V46-Q48 PolarHBondContact O-N 2.74Å
49	A	87.5	Confident	92.4	Very high	39 Å²	39	60.6 Å²	60.6	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-87.9	-24.4	179.7	0	0	0	0	0	114.1	Q45 V46 L192 L199	Q45-A49 PolarHBondContact O-N 2.93Å; V46-A49 CarbonylContact O-C 3.52Å; V46-A49 PolarHBondContact O-N 2.93Å; A49-L192 HydrophobicContact CB-CD1 3.85Å; A49-L199 HydrophobicContact CB-CD1 4.13Å
50	L	90.2	Very high	92.3	Very high	22 Å²	22	60.6 Å²	60.6	12%	0.115	32%	0.32	C	S	.	.	S	Bend	trans	-130.2	83.4	-178.9	-171.9	76.4	0	0	0	109.3	V46 N57 V60 F61 M64 L192	V46-L50 HydrophobicContact CG1-CB 4.35Å; V46-L50 WeakPolarHBondContact O-CB 3.26Å; V46-L50 PolarHBondContact O-N 3.35Å; L50-N57 HydrophobicContact CD1-CB 4.39Å; L50-N57 HydrophobicContact CG-CB 4.3Å; L50-V60 HydrophobicContact CD2-CB 4.19Å; L50-V60 HydrophobicContact CD2-CG1 3.8Å; L50-F61 HydrophobicContact CD2-CB 4.46Å; L50-M64 HydrophobicContact CD2-CE 4.3Å; L50-L192 HydrophobicContact CB-CD1 4.44Å
51	P	88	Confident	92.3	Very high	72 Å²	72	57.9 Å²	57.9	47%	0.468	31%	0.305	S	S	.	.			trans	-62.7	141	177.4	25.1	-32.8	0	0	0	111.4	D53 N57	P51-D53 PolarHBondContact O-N 2.89Å; P51-N57 PolarHBondContact O-ND2 2.93Å
52	L	90.3	Very high	92.5	Very high	83 Å²	83	62.4 Å²	62.4	44%	0.435	33%	0.328	S	S	.	.	S	Bend	trans	-83.7	55.7	-176.9	-58	-177.2	0	0	0	112.4	L47 V58 F61	L47-L52 HydrophobicContact CD2-CD1 3.56Å; L47-L52 HydrophobicContact CD2-CD2 3.91Å; L47-L52 HydrophobicContact CD2-CG 3.58Å; L52-V58 HydrophobicContact CB-CG2 4.08Å; L52-V58 HydrophobicContact CD2-CG2 4.29Å; L52-F61 HydrophobicContact CD1-CD1 4.49Å; L52-F61 HydrophobicContact CD2-CB 3.7Å; L52-F61 HydrophobicContact CD2-CD1 4.23Å; L52-F61 HydrophobicContact CD2-CG 3.94Å
53	D	90.6	Very high	92.5	Very high	123 Å²	123	62.5 Å²	62.5	66%	0.658	33%	0.33	S	S	*	.			trans	-87.7	-21.7	-177	60.9	-8.8	0	0	0	114.1	P51 N57	P51-D53 PolarHBondContact O-N 2.89Å; D53-N57 PolarHBondContact OD1-ND2 3.16Å
54	S	91.5	Very high	92.5	Very high	46 Å²	46	61.8 Å²	61.8	32%	0.322	33%	0.326	S	S	.	.	S	Bend	trans	-129.3	152	-177.3	68.3	0	0	0	0	112.2	H56 N57 V58	S54-H56 PolarHBondContact O-N 3.23Å; S54-N57 PolarHBondContact O-N 3.45Å; S54-N57 VanDerWaalsContact O-N 3.16Å; S54-N57 WeakPolarHBondContact OG-CB 3.39Å; S54-N57 VanDerWaalsContact OG-CG 3.27Å; S54-N57 PolarHBondContact OG-N 3.44Å; S54-N57 VanDerWaalsContact OG-N 3.17Å; S54-N57 PolarHBondContact OG-ND2 2.86Å; S54-V58 WeakPolarHBondContact O-CG2 3.43Å; S54-V58 PolarHBondContact O-N 2.84Å
55	L	92.9	Very high	92.7	Very high	135 Å²	135	57.2 Å²	57.2	71%	0.707	31%	0.309	S	S	*	.	H	α-helix	trans	-56.9	-35	174.5	-176.8	67.6	0	0	0	111.5	V58 L59	L55-V58 PolarHBondContact O-N 3.37Å; L55-L59 HydrophobicContact CG-CD1 4.4Å; L55-L59 WeakPolarHBondContact O-CG 3.41Å; L55-L59 PolarHBondContact O-N 3.47Å
56	H	92.8	Very high	92.9	Very high	84 Å²	84	57.7 Å²	57.7	39%	0.389	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-51.4	175.6	-174.1	79.6	0	0	0	111.4	S54 V58 L59 V60 F185 D188	S54-H56 PolarHBondContact O-N 3.23Å; H56-V58 VanDerWaalsContact C-N 3.28Å; H56-V58 PolarHBondContact O-N 2.86Å; H56-L59 PolarHBondContact O-N 3.03Å; H56-L59 VanDerWaalsContact O-N 3.07Å; H56-V60 WeakPolarHBondContact O-CG2 3.37Å; H56-V60 PolarHBondContact O-N 3.17Å; H56-F185 AromaticContact CE1-CD1 3.81Å; H56-F185 AromaticContact CE1-CE1 3.83Å; H56-D188 IonicContact CD2-OD1 2.82Å; H56-D188 IonicContact CE1-OD2 3.67Å; H56-D188 VanDerWaalsContact NE2-CG 3.25Å; H56-D188 IonicContact NE2-OD1 3.84Å; H56-D188 PolarHBondContact NE2-OD1 2.69Å; H56-D188 IonicContact NE2-OD2 2.81Å; H56-D188 PolarHBondContact NE2-OD2 2.87Å
57	N	92.1	Very high	93.1	Very high	27 Å²	27	59.1 Å²	59.1	14%	0.144	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-35.6	177.7	-71.7	-11.1	0	0	0	112.2	L50 P51 D53 S54 V60 F61	L50-N57 HydrophobicContact CD1-CB 4.39Å; L50-N57 HydrophobicContact CG-CB 4.3Å; P51-N57 PolarHBondContact O-ND2 2.93Å; D53-N57 PolarHBondContact OD1-ND2 3.16Å; S54-N57 PolarHBondContact O-N 3.45Å; S54-N57 VanDerWaalsContact O-N 3.16Å; S54-N57 WeakPolarHBondContact OG-CB 3.39Å; S54-N57 VanDerWaalsContact OG-CG 3.27Å; S54-N57 PolarHBondContact OG-N 3.44Å; S54-N57 VanDerWaalsContact OG-N 3.17Å; S54-N57 PolarHBondContact OG-ND2 2.86Å; N57-V60 PolarHBondContact O-N 3.39Å; N57-F61 WeakPolarHBondContact O-CB 3.33Å; N57-F61 PolarHBondContact O-N 3.49Å
58	V	95	Very high	93.2	Very high	47 Å²	47	56.3 Å²	56.3	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-45.2	172.2	172.8	0	0	0	0	111.4	L52 S54 L55 H56 F61 L62	L52-V58 HydrophobicContact CB-CG2 4.08Å; L52-V58 HydrophobicContact CD2-CG2 4.29Å; S54-V58 WeakPolarHBondContact O-CG2 3.43Å; S54-V58 PolarHBondContact O-N 2.84Å; L55-V58 PolarHBondContact O-N 3.37Å; H56-V58 VanDerWaalsContact C-N 3.28Å; H56-V58 PolarHBondContact O-N 2.86Å; V58-F61 PolarHBondContact O-N 3.33Å; V58-L62 HydrophobicContact CG1-CD1 3.87Å; V58-L62 HydrophobicContact CG1-CG 4.35Å; V58-L62 WeakPolarHBondContact O-CB 3.47Å; V58-L62 VanDerWaalsContact O-CG 3.24Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 3.46Å
59	L	95.9	Very high	93.7	Very high	81 Å²	81	51.2 Å²	51.2	42%	0.424	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-41.3	177.8	-69.4	172.1	0	0	0	112.3	L55 H56 L62 S63 F185	L55-L59 HydrophobicContact CG-CD1 4.4Å; L55-L59 WeakPolarHBondContact O-CG 3.41Å; L55-L59 PolarHBondContact O-N 3.47Å; H56-L59 PolarHBondContact O-N 3.03Å; H56-L59 VanDerWaalsContact O-N 3.07Å; L59-L62 PolarHBondContact O-N 3.47Å; L59-S63 WeakPolarHBondContact O-CB 3.32Å; L59-S63 PolarHBondContact O-N 3.28Å; L59-F185 HydrophobicContact CB-CE1 4.23Å; L59-F185 HydrophobicContact CB-CE2 4.48Å; L59-F185 HydrophobicContact CB-CZ 3.71Å
60	V	95.3	Very high	94.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-50.2	174.3	173.4	0	0	0	0	109.9	L50 H56 N57 L62 S63 M64 F185 D188 Y189	L50-V60 HydrophobicContact CD2-CB 4.19Å; L50-V60 HydrophobicContact CD2-CG1 3.8Å; H56-V60 WeakPolarHBondContact O-CG2 3.37Å; H56-V60 PolarHBondContact O-N 3.17Å; N57-V60 PolarHBondContact O-N 3.39Å; V60-L62 PolarHBondContact O-N 3.28Å; V60-S63 PolarHBondContact O-N 3.18Å; V60-S63 PolarHBondContact O-OG 3.22Å; V60-M64 HydrophobicContact CG1-CE 4.06Å; V60-M64 PolarHBondContact O-N 3.49Å; V60-F185 HydrophobicContact CG2-CB 4.32Å; V60-F185 HydrophobicContact CG2-CD1 3.51Å; V60-F185 HydrophobicContact CG2-CE1 4Å; V60-F185 HydrophobicContact CG2-CG 4Å; V60-D188 HydrophobicContact CG1-CB 3.97Å; V60-D188 HydrophobicContact CG2-CB 3.88Å; V60-Y189 HydrophobicContact CG1-CE2 4.39Å
61	F	95.9	Very high	94.5	Very high	33 Å²	33	51.7 Å²	51.7	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-47.7	177.5	177.5	-102.1	0	0	0	112.4	F43 V46 L47 L50 L52 N57 V58 S63 M64 P65	F43-F61 HydrophobicContact CB-CE2 4.19Å; F43-F61 HydrophobicContact CB-CZ 4.19Å; F43-F61 HydrophobicContact CD1-CE2 4.32Å; V46-F61 HydrophobicContact CG1-CD2 3.82Å; V46-F61 HydrophobicContact CG1-CE2 4.21Å; L47-F61 HydrophobicContact CD1-CE2 4.26Å; L47-F61 HydrophobicContact CD1-CZ 4.03Å; L47-F61 HydrophobicContact CD2-CD1 4.42Å; L47-F61 HydrophobicContact CD2-CD2 3.87Å; L47-F61 HydrophobicContact CD2-CE1 4.2Å; L47-F61 HydrophobicContact CD2-CE2 3.62Å; L47-F61 HydrophobicContact CD2-CG 4.27Å; L47-F61 HydrophobicContact CD2-CZ 3.79Å; L47-F61 HydrophobicContact CG-CD2 4.27Å; L47-F61 HydrophobicContact CG-CE2 3.61Å; L47-F61 HydrophobicContact CG-CZ 3.87Å; L50-F61 HydrophobicContact CD2-CB 4.46Å; L52-F61 HydrophobicContact CD1-CD1 4.49Å; L52-F61 HydrophobicContact CD2-CB 3.7Å; L52-F61 HydrophobicContact CD2-CD1 4.23Å; L52-F61 HydrophobicContact CD2-CG 3.94Å; N57-F61 WeakPolarHBondContact O-CB 3.33Å; N57-F61 PolarHBondContact O-N 3.49Å; V58-F61 PolarHBondContact O-N 3.33Å; F61-S63 PolarHBondContact O-N 2.95Å; F61-M64 PolarHBondContact O-N 3.38Å; F61-M64 VanDerWaalsContact O-N 3.11Å; F61-P65 WeakPolarHBondContact O-CD 3.45Å
62	L	95.4	Very high	94.9	Very high	101 Å²	101	48.9 Å²	48.9	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-24.3	178.6	-72.7	175.9	0	0	0	113	V58 L59 V60	V58-L62 HydrophobicContact CG1-CD1 3.87Å; V58-L62 HydrophobicContact CG1-CG 4.35Å; V58-L62 WeakPolarHBondContact O-CB 3.47Å; V58-L62 VanDerWaalsContact O-CG 3.24Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 3.46Å; L59-L62 PolarHBondContact O-N 3.47Å; V60-L62 PolarHBondContact O-N 3.28Å
63	S	95.9	Very high	95.3	Very high	9 Å²	9	45 Å²	45	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-74.9	-22.8	175.8	76.8	0	0	0	0	113.5	L59 V60 F61 V66 V67 Y189	L59-S63 WeakPolarHBondContact O-CB 3.32Å; L59-S63 PolarHBondContact O-N 3.28Å; V60-S63 PolarHBondContact O-N 3.18Å; V60-S63 PolarHBondContact O-OG 3.22Å; F61-S63 PolarHBondContact O-N 2.95Å; S63-V66 WeakPolarHBondContact O-CB 3.23Å; S63-V66 PolarHBondContact O-N 3.47Å; S63-V67 WeakPolarHBondContact O-CG2 3.18Å; S63-V67 PolarHBondContact O-N 3.04Å; S63-Y189 VanDerWaalsContact C-OH 3.29Å; S63-Y189 PolarHBondContact O-OH 2.99Å; S63-Y189 WeakPolarHBondContact OG-CE2 3.31Å; S63-Y189 PolarHBondContact OG-OH 3.28Å; S63-Y189 VanDerWaalsContact OG-OH 3.05Å
64	M	95.5	Very high	95.6	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-65.8	-48.9	-178.2	-62.6	-176.5	-167.3	0	0	114.1	F42 F43 V46 L50 V60 F61 V66 V67 A68 Y189 L192	F42-M64 HydrophobicContact CE1-CB 4.44Å; F42-M64 HydrophobicContact CE1-SD 4.28Å; F42-M64 HydrophobicContact CZ-SD 4.15Å; F43-M64 HydrophobicContact CE1-CB 4.2Å; V46-M64 HydrophobicContact CB-SD 4.35Å; V46-M64 HydrophobicContact CG1-CE 3.73Å; V46-M64 HydrophobicContact CG1-SD 3.59Å; V46-M64 VanDerWaalsContact CG1-SD 3.59Å; V46-M64 HydrophobicContact CG2-SD 3.92Å; L50-M64 HydrophobicContact CD2-CE 4.3Å; V60-M64 HydrophobicContact CG1-CE 4.06Å; V60-M64 PolarHBondContact O-N 3.49Å; F61-M64 PolarHBondContact O-N 3.38Å; F61-M64 VanDerWaalsContact O-N 3.11Å; M64-V66 PolarHBondContact O-N 3.06Å; M64-V67 PolarHBondContact O-N 2.83Å; M64-A68 PolarHBondContact O-N 2.95Å; M64-Y189 VanDerWaalsContact CA-OH 3.23Å; M64-Y189 WeakPolarHBondContact CA-OH 3.37Å; M64-Y189 HydrophobicContact CG-CE1 4.22Å; M64-Y189 HydrophobicContact CG-CE2 4.46Å; M64-Y189 WeakPolarHBondContact CG-OH 3.37Å; M64-Y189 PolarHBondContact N-OH 3.13Å; M64-L192 HydrophobicContact CE-CD2 3.34Å
65	P	96.4	Very high	95.8	Very high	27 Å²	27	40.9 Å²	40.9	18%	0.175	22%	0.222	C	C	.	.	H	α-helix	trans	-55.7	-36.2	171.3	-23.8	31	0	0	0	112.9	I36 F43 F61 F69	I36-P65 HydrophobicContact CG1-CB 4.2Å; F43-P65 HydrophobicContact CD1-CG 4.28Å; F43-P65 HydrophobicContact CE1-CB 4.27Å; F43-P65 HydrophobicContact CE1-CG 3.58Å; F43-P65 HydrophobicContact CE2-CG 4.5Å; F43-P65 HydrophobicContact CZ-CB 3.99Å; F43-P65 HydrophobicContact CZ-CG 3.72Å; F61-P65 WeakPolarHBondContact O-CD 3.45Å; P65-F69 WeakPolarHBondContact O-CB 3.3Å; P65-F69 PolarHBondContact O-N 3.41Å
66	V	96.6	Very high	96	Very high	56 Å²	56	34.4 Å²	34.4	34%	0.339	19%	0.189	S	C	.	.	H	α-helix	trans	-66.9	-42.6	179.4	179.5	0	0	0	0	111.2	S63 M64 S70 L177	S63-V66 WeakPolarHBondContact O-CB 3.23Å; S63-V66 PolarHBondContact O-N 3.47Å; M64-V66 PolarHBondContact O-N 3.06Å; V66-S70 VanDerWaalsContact O-CB 3.28Å; V66-S70 WeakPolarHBondContact O-CB 3.38Å; V66-S70 PolarHBondContact O-N 3.28Å; V66-S70 PolarHBondContact O-OG 3.24Å; V66-L177 HydrophobicContact CG1-CD1 4.43Å
67	V	96.5	Very high	96.1	Very high	30 Å²	30	30.4 Å²	30.4	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-49.7	175.5	173.5	0	0	0	0	110.8	S63 M64 F69 S70 V71 V181	S63-V67 WeakPolarHBondContact O-CG2 3.18Å; S63-V67 PolarHBondContact O-N 3.04Å; M64-V67 PolarHBondContact O-N 2.83Å; V67-F69 VanDerWaalsContact C-N 3.33Å; V67-F69 PolarHBondContact O-N 2.93Å; V67-S70 PolarHBondContact O-N 3.33Å; V67-S70 VanDerWaalsContact O-N 3.14Å; V67-V71 HydrophobicContact CG1-CG2 4.48Å; V67-V71 WeakPolarHBondContact O-CG2 3.32Å; V67-V71 PolarHBondContact O-N 2.99Å; V67-V181 HydrophobicContact CG2-CB 3.95Å; V67-V181 HydrophobicContact CG2-CG1 3.63Å; V67-V181 HydrophobicContact CG2-CG2 4.12Å
68	A	96	Very high	96.2	Very high	11 Å²	11	33.6 Å²	33.6	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-45.6	178.8	0	0	0	0	0	111.7	M64 S70 V71 I72 L203	M64-A68 PolarHBondContact O-N 2.95Å; A68-S70 PolarHBondContact O-N 3.4Å; A68-V71 PolarHBondContact O-N 3.06Å; A68-I72 WeakPolarHBondContact O-CG1 3.36Å; A68-I72 PolarHBondContact O-N 3.42Å; A68-L203 HydrophobicContact CB-CD1 4.49Å
69	F	97.8	Very high	96.2	Very high	43 Å²	43	32 Å²	32	19%	0.189	18%	0.178	C	C	.	.	H	α-helix	trans	-57.6	-47.8	173.9	175.8	-97.4	0	0	0	111.9	L28 A31 F32 S35 P65 V67 V71 I72 N73	L28-F69 HydrophobicContact CB-CZ 4.35Å; L28-F69 HydrophobicContact CD2-CE1 4.08Å; L28-F69 HydrophobicContact CD2-CZ 3.6Å; L28-F69 WeakPolarHBondContact O-CE2 3.47Å; A31-F69 HydrophobicContact CB-CD2 3.98Å; A31-F69 HydrophobicContact CB-CE2 3.77Å; A31-F69 HydrophobicContact CB-CZ 4.47Å; F32-F69 HydrophobicContact CB-CD2 4.24Å; F32-F69 HydrophobicContact CB-CE2 3.89Å; S35-F69 VanDerWaalsContact CB-CA 3.48Å; S35-F69 WeakPolarHBondContact OG-CA 3.17Å; P65-F69 WeakPolarHBondContact O-CB 3.3Å; P65-F69 PolarHBondContact O-N 3.41Å; V67-F69 VanDerWaalsContact C-N 3.33Å; V67-F69 PolarHBondContact O-N 2.93Å; F69-V71 PolarHBondContact O-N 3.38Å; F69-I72 PolarHBondContact O-N 2.95Å; F69-N73 WeakPolarHBondContact O-CB 3.1Å; F69-N73 PolarHBondContact O-N 3.37Å
70	S	97.8	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-43.8	-178.1	-64	0	0	0	0	111.9	V66 V67 A68 N73 I74	V66-S70 VanDerWaalsContact O-CB 3.28Å; V66-S70 WeakPolarHBondContact O-CB 3.38Å; V66-S70 PolarHBondContact O-N 3.28Å; V66-S70 PolarHBondContact O-OG 3.24Å; V67-S70 PolarHBondContact O-N 3.33Å; V67-S70 VanDerWaalsContact O-N 3.14Å; A68-S70 PolarHBondContact O-N 3.4Å; S70-N73 PolarHBondContact O-N 3.02Å; S70-I74 WeakPolarHBondContact O-CD1 3.15Å; S70-I74 WeakPolarHBondContact O-CG1 3.29Å; S70-I74 PolarHBondContact O-N 3.34Å
71	V	96.9	Very high	95.7	Very high	71 Å²	71	32.1 Å²	32.1	43%	0.43	18%	0.175	S	C	.	.	H	α-helix	trans	-63.8	-50.5	177.5	173.5	0	0	0	0	111.2	V67 A68 F69 N73 I74 V75 I178	V67-V71 HydrophobicContact CG1-CG2 4.48Å; V67-V71 WeakPolarHBondContact O-CG2 3.32Å; V67-V71 PolarHBondContact O-N 2.99Å; A68-V71 PolarHBondContact O-N 3.06Å; F69-V71 PolarHBondContact O-N 3.38Å; V71-N73 VanDerWaalsContact C-N 3.32Å; V71-N73 PolarHBondContact O-N 3.41Å; V71-I74 PolarHBondContact O-N 3Å; V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 2.9Å; V71-V75 VanDerWaalsContact O-N 3.08Å; V71-I178 HydrophobicContact CG2-CD1 3.79Å
72	I	96.8	Very high	95.4	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.072	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-40.5	179.4	-69.1	161.2	0	0	0	110.8	A31 I34 A68 F69 I74 V75 L76	A31-I72 HydrophobicContact CB-CG2 4Å; I34-I72 HydrophobicContact CB-CD1 4.29Å; I34-I72 HydrophobicContact CB-CG2 4.24Å; I34-I72 HydrophobicContact CD1-CG2 4.31Å; I34-I72 HydrophobicContact CG2-CD1 3.68Å; I34-I72 HydrophobicContact CG2-CG1 4.44Å; I34-I72 HydrophobicContact CG2-CG2 4.25Å; A68-I72 WeakPolarHBondContact O-CG1 3.36Å; A68-I72 PolarHBondContact O-N 3.42Å; F69-I72 PolarHBondContact O-N 2.95Å; I72-I74 PolarHBondContact O-N 2.89Å; I72-V75 PolarHBondContact O-N 3.47Å; I72-L76 HydrophobicContact CG2-CD1 3.88Å; I72-L76 HydrophobicContact CG2-CG 4.21Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 2.95Å
73	N	97.7	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-41.2	176.7	-178.8	48.2	0	0	0	112.1	A31 F69 S70 V71 T77 N170 S174	A31-N73 HydrophobicContact CB-CB 3.87Å; F69-N73 WeakPolarHBondContact O-CB 3.1Å; F69-N73 PolarHBondContact O-N 3.37Å; S70-N73 PolarHBondContact O-N 3.02Å; V71-N73 VanDerWaalsContact C-N 3.32Å; V71-N73 PolarHBondContact O-N 3.41Å; N73-T77 VanDerWaalsContact O-CB 3.24Å; N73-T77 WeakPolarHBondContact O-CB 3.41Å; N73-T77 PolarHBondContact O-N 2.75Å; N73-T77 PolarHBondContact O-OG1 2.97Å; N73-N170 VanDerWaalsContact ND2-CG 3.3Å; N73-N170 PolarHBondContact ND2-ND2 3.33Å; N73-N170 PolarHBondContact ND2-OD1 2.95Å; N73-N170 PolarHBondContact OD1-ND2 3.47Å; N73-S174 PolarHBondContact ND2-OG 2.86Å
74	I	97.3	Very high	94.8	Very high	27 Å²	27	46.6 Å²	46.6	14%	0.138	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-51.2	174.4	-70.8	162.7	0	0	0	110	S70 V71 I72 L76 T77 L78 I171 V175 I178	S70-I74 WeakPolarHBondContact O-CD1 3.15Å; S70-I74 WeakPolarHBondContact O-CG1 3.29Å; S70-I74 PolarHBondContact O-N 3.34Å; V71-I74 PolarHBondContact O-N 3Å; I72-I74 PolarHBondContact O-N 2.89Å; I74-L76 PolarHBondContact O-N 2.96Å; I74-T77 PolarHBondContact O-N 3.1Å; I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.36Å; I74-L78 WeakPolarHBondContact O-CG 3.48Å; I74-L78 PolarHBondContact O-N 3.36Å; I74-I171 HydrophobicContact CG1-CG2 4.4Å; I74-I171 HydrophobicContact CG2-CG2 4.45Å; I74-V175 HydrophobicContact CD1-CG2 3.83Å; I74-I178 HydrophobicContact CD1-CD1 3.94Å
75	V	96.2	Very high	94.6	Very high	56 Å²	56	47 Å²	47	34%	0.339	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-46	-178.3	173.3	0	0	0	0	111.8	V71 I72 T77 L78 S79 L88 F92	V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 2.9Å; V71-V75 VanDerWaalsContact O-N 3.08Å; I72-V75 PolarHBondContact O-N 3.47Å; V75-T77 VanDerWaalsContact C-N 3.33Å; V75-T77 PolarHBondContact O-N 3.43Å; V75-L78 PolarHBondContact O-N 3.48Å; V75-S79 PolarHBondContact O-N 3.28Å; V75-S79 PolarHBondContact O-OG 2.93Å; V75-L88 HydrophobicContact CG1-CD2 3.9Å; V75-F92 HydrophobicContact CG1-CE2 3.92Å; V75-F92 HydrophobicContact CG1-CZ 4.09Å
76	L	96	Very high	94.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-34.6	176.9	-68.5	179.3	0	0	0	112.3	L27 A30 A31 I34 I72 I74 S79 S80 L88 A89 F92	L27-L76 HydrophobicContact CD2-CB 3.82Å; L27-L76 VanDerWaalsContact CD2-O 3.31Å; L27-L76 WeakPolarHBondContact CD2-O 3.47Å; A30-L76 HydrophobicContact CB-CD1 3.96Å; A31-L76 HydrophobicContact CB-CD1 4.22Å; I34-L76 HydrophobicContact CD1-CD1 4.18Å; I72-L76 HydrophobicContact CG2-CD1 3.88Å; I72-L76 HydrophobicContact CG2-CG 4.21Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 2.95Å; I74-L76 PolarHBondContact O-N 2.96Å; L76-S79 PolarHBondContact O-OG 3.48Å; L76-S80 PolarHBondContact O-N 2.83Å; L76-S80 VanDerWaalsContact O-N 3.13Å; L76-L88 HydrophobicContact CD2-CB 4.47Å; L76-L88 HydrophobicContact CD2-CD2 4.26Å; L76-L88 HydrophobicContact CD2-CG 4.25Å; L76-A89 HydrophobicContact CD2-CB 4.07Å; L76-F92 HydrophobicContact CD2-CD2 4.45Å
77	T	95.3	Very high	94.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.3	-41	176.4	-58.3	0	0	0	0	111.3	L27 N73 I74 V75 S80 F81 R167 N170 I171	L27-T77 HydrophobicContact CD1-CG2 4.42Å; N73-T77 VanDerWaalsContact O-CB 3.24Å; N73-T77 WeakPolarHBondContact O-CB 3.41Å; N73-T77 PolarHBondContact O-N 2.75Å; N73-T77 PolarHBondContact O-OG1 2.97Å; I74-T77 PolarHBondContact O-N 3.1Å; V75-T77 VanDerWaalsContact C-N 3.33Å; V75-T77 PolarHBondContact O-N 3.43Å; T77-S80 VanDerWaalsContact O-CB 3.3Å; T77-S80 WeakPolarHBondContact O-CB 3.26Å; T77-S80 PolarHBondContact O-N 3.39Å; T77-S80 PolarHBondContact O-OG 3.06Å; T77-F81 HydrophobicContact CG2-CE2 4.41Å; T77-F81 VanDerWaalsContact O-CD2 3.28Å; T77-F81 WeakPolarHBondContact O-CD2 3.4Å; T77-R167 HydrophobicContact CG2-CB 3.71Å; T77-R167 HydrophobicContact CG2-CG 3.97Å; T77-N170 PolarHBondContact OG1-ND2 2.99Å; T77-I171 HydrophobicContact CG2-CD1 3.84Å; T77-I171 HydrophobicContact CG2-CG1 3.79Å
78	L	95.1	Very high	94.3	Very high	94 Å²	94	50.8 Å²	50.8	49%	0.492	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-46	175.1	-72.5	171.8	0	0	0	111.5	I74 V75 S80 F81 I171	I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.36Å; I74-L78 WeakPolarHBondContact O-CG 3.48Å; I74-L78 PolarHBondContact O-N 3.36Å; V75-L78 PolarHBondContact O-N 3.48Å; L78-S80 PolarHBondContact O-N 3.34Å; L78-F81 WeakPolarHBondContact O-CB 3.38Å; L78-F81 WeakPolarHBondContact O-CD2 3.47Å; L78-F81 PolarHBondContact O-N 2.93Å; L78-F81 VanDerWaalsContact O-N 3.1Å; L78-I171 HydrophobicContact CD2-CD1 3.84Å; L78-I171 HydrophobicContact CG-CD1 4.19Å
79	S	93.6	Very high	94.3	Very high	13 Å²	13	50.3 Å²	50.3	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-24.8	177.2	72.3	0	0	0	0	113.1	V75 L76 F81 L82 W83 L84 N85	V75-S79 PolarHBondContact O-N 3.28Å; V75-S79 PolarHBondContact O-OG 2.93Å; L76-S79 PolarHBondContact O-OG 3.48Å; S79-F81 PolarHBondContact O-N 3.48Å; S79-L82 CarbonylContact O-C 3.57Å; S79-L82 PolarHBondContact O-N 3.14Å; S79-L82 VanDerWaalsContact O-N 3.14Å; S79-W83 PolarHBondContact O-N 3.5Å; S79-L84 PolarHBondContact O-N 3.19Å; S79-N85 WeakPolarHBondContact OG-CA 3.38Å
80	S	91.1	Very high	94.2	Very high	3 Å²	3	49 Å²	49	2%	0.021	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64.8	-22.8	174.6	87.7	0	0	0	0	113.8	L76 T77 L78 L82 W83 R167	L76-S80 PolarHBondContact O-N 2.83Å; L76-S80 VanDerWaalsContact O-N 3.13Å; T77-S80 VanDerWaalsContact O-CB 3.3Å; T77-S80 WeakPolarHBondContact O-CB 3.26Å; T77-S80 PolarHBondContact O-N 3.39Å; T77-S80 PolarHBondContact O-OG 3.06Å; L78-S80 PolarHBondContact O-N 3.34Å; S80-L82 VanDerWaalsContact C-N 3.3Å; S80-W83 PolarHBondContact O-N 3.33Å; S80-R167 WeakPolarHBondContact OG-CD 3.33Å; S80-R167 PolarHBondContact OG-NH1 3.49Å
81	F	90	Very high	94.1	Very high	82 Å²	82	53.7 Å²	53.7	36%	0.36	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-69.8	-30.3	174.7	-70.9	-84.5	0	0	0	112	T77 L78 S79 V164 R167 I171	T77-F81 HydrophobicContact CG2-CE2 4.41Å; T77-F81 VanDerWaalsContact O-CD2 3.28Å; T77-F81 WeakPolarHBondContact O-CD2 3.4Å; L78-F81 WeakPolarHBondContact O-CB 3.38Å; L78-F81 WeakPolarHBondContact O-CD2 3.47Å; L78-F81 PolarHBondContact O-N 2.93Å; L78-F81 VanDerWaalsContact O-N 3.1Å; S79-F81 PolarHBondContact O-N 3.48Å; F81-V164 HydrophobicContact CE1-CG1 4.3Å; F81-V164 HydrophobicContact CE1-CG2 4.44Å; F81-R167 HydrophobicContact CE2-CB 4.3Å; F81-R167 HydrophobicContact CZ-CB 3.87Å; F81-I171 HydrophobicContact CE2-CD1 4.26Å
82	L	89.7	Confident	94.1	Very high	132 Å²	132	51.3 Å²	51.3	69%	0.691	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-98.1	8.7	177.1	-59.6	178	0	0	0	113.3	S79 S80 L84	S79-L82 CarbonylContact O-C 3.57Å; S79-L82 PolarHBondContact O-N 3.14Å; S79-L82 VanDerWaalsContact O-N 3.14Å; S80-L82 VanDerWaalsContact C-N 3.3Å; L82-L84 HydrophobicContact CB-CD1 4.11Å; L82-L84 HydrophobicContact CB-CG 4.12Å; L82-L84 HydrophobicContact CD1-CD1 4.35Å; L82-L84 PolarHBondContact O-N 2.98Å
83	W	86.4	Confident	94.2	Very high	224 Å²	224	50.8 Å²	50.8	85%	0.848	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	22.1	-175.6	-58	7.9	0	0	0	113.9	S79 S80	S79-W83 PolarHBondContact O-N 3.5Å; S80-W83 PolarHBondContact O-N 3.33Å
84	L	92.9	Very high	94.1	Very high	90 Å²	90	54.7 Å²	54.7	47%	0.471	27%	0.271	S	S	.	.			trans	-91.8	3.3	177.5	-67.2	176.4	0	0	0	113.2	S79 L82 R86 P87 L88	S79-L84 PolarHBondContact O-N 3.19Å; L82-L84 HydrophobicContact CB-CD1 4.11Å; L82-L84 HydrophobicContact CB-CG 4.12Å; L82-L84 HydrophobicContact CD1-CD1 4.35Å; L82-L84 PolarHBondContact O-N 2.98Å; L84-R86 PolarHBondContact O-N 3.19Å; L84-P87 HydrophobicContact CB-CG 4.46Å; L84-P87 HydrophobicContact CD2-CG 4.21Å; L84-P87 VanDerWaalsContact O-CD 3.24Å; L84-P87 WeakPolarHBondContact O-CD 3.2Å; L84-P87 VanDerWaalsContact O-CG 3.29Å; L84-P87 WeakPolarHBondContact O-CG 3.34Å; L84-L88 WeakPolarHBondContact O-CB 3.37Å; L84-L88 PolarHBondContact O-N 3.39Å
85	N	90.8	Very high	94.1	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.07	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-40.5	-175.1	61.8	-62.1	0	0	0	113.6	W26 L27 S79 A89	W26-N85 HydrophobicContact CH2-CB 4.5Å; W26-N85 WeakPolarHBondContact CH2-O 3.38Å; W26-N85 HydrophobicContact CZ3-CB 3.93Å; W26-N85 WeakPolarHBondContact CZ3-ND2 3.49Å; L27-N85 HydrophobicContact CD2-CB 4.04Å; S79-N85 WeakPolarHBondContact OG-CA 3.38Å; N85-A89 VanDerWaalsContact O-CB 3.22Å; N85-A89 WeakPolarHBondContact O-CB 3.48Å; N85-A89 PolarHBondContact O-N 2.82Å
86	R	92.4	Very high	94.1	Very high	79 Å²	79	52.9 Å²	52.9	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-57.7	176.7	-72.6	177.5	174.5	-123.4	-15.9	112.7	W26 L84 L88 A89 C90 C150 I152	W26-R86 HydrophobicContact CH2-CG 4.14Å; W26-R86 HydrophobicContact CZ2-CG 4.03Å; L84-R86 PolarHBondContact O-N 3.19Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 2.76Å; R86-A89 PolarHBondContact O-N 2.69Å; R86-C90 PolarHBondContact O-N 3.48Å; R86-C90 PolarHBondContact O-SG 3.49Å; R86-C90 VanDerWaalsContact O-SG 3.36Å; R86-C150 PolarHBondContact NH1-O 2.78Å; R86-I152 PolarHBondContact NH2-O 2.6Å
87	P	94.7	Very high	94.2	Very high	75 Å²	75	53 Å²	53	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-39.5	-179.4	21.9	-32.3	0	0	0	111.8	L84 C90 L91	L84-P87 HydrophobicContact CB-CG 4.46Å; L84-P87 HydrophobicContact CD2-CG 4.21Å; L84-P87 VanDerWaalsContact O-CD 3.24Å; L84-P87 WeakPolarHBondContact O-CD 3.2Å; L84-P87 VanDerWaalsContact O-CG 3.29Å; L84-P87 WeakPolarHBondContact O-CG 3.34Å; P87-C90 PolarHBondContact O-N 2.87Å; P87-L91 WeakPolarHBondContact O-CB 3.33Å; P87-L91 PolarHBondContact O-N 3.49Å
88	L	95.6	Very high	94.2	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-43.4	178.7	-171.6	62.6	0	0	0	112.4	V75 L76 L84 R86 C90 L91 F92	V75-L88 HydrophobicContact CG1-CD2 3.9Å; L76-L88 HydrophobicContact CD2-CB 4.47Å; L76-L88 HydrophobicContact CD2-CD2 4.26Å; L76-L88 HydrophobicContact CD2-CG 4.25Å; L84-L88 WeakPolarHBondContact O-CB 3.37Å; L84-L88 PolarHBondContact O-N 3.39Å; R86-L88 VanDerWaalsContact C-N 3.29Å; R86-L88 PolarHBondContact O-N 2.76Å; L88-C90 PolarHBondContact O-N 3.29Å; L88-L91 PolarHBondContact O-N 2.83Å; L88-F92 HydrophobicContact CD1-CD1 4.02Å; L88-F92 HydrophobicContact CD1-CE1 3.5Å; L88-F92 VanDerWaalsContact CD1-CE1 3.5Å; L88-F92 HydrophobicContact CD1-CE2 4.34Å; L88-F92 HydrophobicContact CD1-CZ 3.69Å; L88-F92 HydrophobicContact CD2-CE2 4.42Å; L88-F92 HydrophobicContact CD2-CZ 4.32Å; L88-F92 HydrophobicContact CG-CD1 4.47Å; L88-F92 HydrophobicContact CG-CD2 4.47Å; L88-F92 HydrophobicContact CG-CE1 4.16Å; L88-F92 HydrophobicContact CG-CE2 4.16Å; L88-F92 HydrophobicContact CG-CZ 4.01Å; L88-F92 WeakPolarHBondContact O-CB 3.48Å; L88-F92 WeakPolarHBondContact O-CG 3.4Å; L88-F92 PolarHBondContact O-N 3.26Å
89	A	95.7	Very high	94.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-43	176.1	0	0	0	0	0	111.6	W26 A30 L76 N85 R86 F92 I93	W26-A89 HydrophobicContact CH2-CB 3.7Å; W26-A89 HydrophobicContact CZ2-CB 4.42Å; W26-A89 HydrophobicContact CZ3-CB 4.46Å; A30-A89 HydrophobicContact CB-CB 4.39Å; L76-A89 HydrophobicContact CD2-CB 4.07Å; N85-A89 VanDerWaalsContact O-CB 3.22Å; N85-A89 WeakPolarHBondContact O-CB 3.48Å; N85-A89 PolarHBondContact O-N 2.82Å; R86-A89 PolarHBondContact O-N 2.69Å; A89-F92 PolarHBondContact O-N 3.35Å; A89-I93 WeakPolarHBondContact O-CB 3.35Å; A89-I93 WeakPolarHBondContact O-CD1 3.35Å; A89-I93 WeakPolarHBondContact O-CG1 3.49Å; A89-I93 PolarHBondContact O-N 2.94Å
90	C	96.3	Very high	94.3	Very high	17 Å²	17	50.6 Å²	50.6	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-43.1	176.3	-67.7	0	0	0	0	112	R86 P87 L88 I93 L94 A146 C150	R86-C90 PolarHBondContact O-N 3.48Å; R86-C90 PolarHBondContact O-SG 3.49Å; R86-C90 VanDerWaalsContact O-SG 3.36Å; P87-C90 PolarHBondContact O-N 2.87Å; L88-C90 PolarHBondContact O-N 3.29Å; C90-I93 PolarHBondContact O-N 2.89Å; C90-L94 WeakPolarHBondContact O-CG 3.23Å; C90-L94 PolarHBondContact O-N 3.44Å; C90-A146 HydrophobicContact CB-CB 4.14Å; C90-C150 PolarHBondContact SG-SG 3.15Å
91	L	96.4	Very high	94.4	Very high	98 Å²	98	50.7 Å²	50.7	51%	0.513	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-49.8	176	179.6	64.9	0	0	0	111.1	P87 L88 I93 L94 V95	P87-L91 WeakPolarHBondContact O-CB 3.33Å; P87-L91 PolarHBondContact O-N 3.49Å; L88-L91 PolarHBondContact O-N 2.83Å; L91-I93 VanDerWaalsContact C-N 3.3Å; L91-I93 PolarHBondContact O-N 3.24Å; L91-L94 PolarHBondContact O-N 2.92Å; L91-V95 HydrophobicContact CD1-CG2 3.98Å; L91-V95 HydrophobicContact CG-CG2 4.42Å; L91-V95 WeakPolarHBondContact O-CB 3.36Å; L91-V95 WeakPolarHBondContact O-CG2 3.47Å; L91-V95 PolarHBondContact O-N 3.31Å
92	F	97.4	Very high	94.5	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.088	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-36.4	178.6	-74.7	3.3	0	0	0	112.6	I34 V75 L76 L88 A89 G96 P205 I209	I34-F92 HydrophobicContact CD1-CB 3.77Å; I34-F92 HydrophobicContact CD1-CD2 4.4Å; I34-F92 HydrophobicContact CG1-CB 4.4Å; I34-F92 HydrophobicContact CG2-CB 4.33Å; V75-F92 HydrophobicContact CG1-CE2 3.92Å; V75-F92 HydrophobicContact CG1-CZ 4.09Å; L76-F92 HydrophobicContact CD2-CD2 4.45Å; L88-F92 HydrophobicContact CD1-CD1 4.02Å; L88-F92 HydrophobicContact CD1-CE1 3.5Å; L88-F92 VanDerWaalsContact CD1-CE1 3.5Å; L88-F92 HydrophobicContact CD1-CE2 4.34Å; L88-F92 HydrophobicContact CD1-CZ 3.69Å; L88-F92 HydrophobicContact CD2-CE2 4.42Å; L88-F92 HydrophobicContact CD2-CZ 4.32Å; L88-F92 HydrophobicContact CG-CD1 4.47Å; L88-F92 HydrophobicContact CG-CD2 4.47Å; L88-F92 HydrophobicContact CG-CE1 4.16Å; L88-F92 HydrophobicContact CG-CE2 4.16Å; L88-F92 HydrophobicContact CG-CZ 4.01Å; L88-F92 WeakPolarHBondContact O-CB 3.48Å; L88-F92 WeakPolarHBondContact O-CG 3.4Å; L88-F92 PolarHBondContact O-N 3.26Å; A89-F92 PolarHBondContact O-N 3.35Å; F92-G96 WeakPolarHBondContact O-CA 3.39Å; F92-G96 PolarHBondContact O-N 2.98Å; F92-P205 HydrophobicContact CB-CG 4.07Å; F92-P205 HydrophobicContact CD1-CB 4.2Å; F92-P205 HydrophobicContact CD1-CG 3.76Å; F92-P205 HydrophobicContact CD2-CG 3.83Å; F92-P205 HydrophobicContact CE1-CG 4.06Å; F92-P205 HydrophobicContact CE2-CG 4.12Å; F92-P205 HydrophobicContact CG-CB 4.36Å; F92-P205 HydrophobicContact CG-CG 3.63Å; F92-P205 HydrophobicContact CZ-CG 4.22Å; F92-I209 HydrophobicContact CE1-CD1 3.76Å; F92-I209 HydrophobicContact CZ-CD1 4.06Å
93	I	97.6	Very high	94.7	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-48.7	175.5	-73.7	166.8	0	0	0	111.1	Y33 I34 L38 A89 C90 L91 A97 G142 A145 A146 A149	Y33-I93 HydrophobicContact CD1-CD1 4.37Å; Y33-I93 HydrophobicContact CD1-CG1 4.08Å; Y33-I93 HydrophobicContact CE1-CG1 4.29Å; Y33-I93 HydrophobicContact CE1-CG2 4.18Å; I34-I93 HydrophobicContact CD1-CG1 4.16Å; I34-I93 HydrophobicContact CG1-CG1 3.78Å; L38-I93 HydrophobicContact CD1-CB 4.38Å; L38-I93 HydrophobicContact CD1-CG1 4.4Å; L38-I93 HydrophobicContact CD1-CG2 4.47Å; L38-I93 WeakPolarHBondContact CD1-O 3.32Å; A89-I93 WeakPolarHBondContact O-CB 3.35Å; A89-I93 WeakPolarHBondContact O-CD1 3.35Å; A89-I93 WeakPolarHBondContact O-CG1 3.49Å; A89-I93 PolarHBondContact O-N 2.94Å; C90-I93 PolarHBondContact O-N 2.89Å; L91-I93 VanDerWaalsContact C-N 3.3Å; L91-I93 PolarHBondContact O-N 3.24Å; I93-A97 WeakPolarHBondContact O-CB 3.39Å; I93-A97 PolarHBondContact O-N 3.46Å; I93-G142 VanDerWaalsContact CG2-O 3.29Å; I93-G142 WeakPolarHBondContact CG2-O 3.46Å; I93-A145 HydrophobicContact CG2-CB 3.8Å; I93-A146 HydrophobicContact CG2-CB 4.19Å; I93-A149 HydrophobicContact CD1-CB 4.2Å
94	L	96.9	Very high	94.9	Very high	82 Å²	82	37.3 Å²	37.3	43%	0.429	20%	0.198	S	C	.	.	H	α-helix	trans	-65.9	-47.2	-178.1	-69.4	171.9	0	0	0	111.6	C90 L91 A97 A98 V143 A146	C90-L94 WeakPolarHBondContact O-CG 3.23Å; C90-L94 PolarHBondContact O-N 3.44Å; L91-L94 PolarHBondContact O-N 2.92Å; L94-A97 PolarHBondContact O-N 3.45Å; L94-A98 WeakPolarHBondContact O-CB 3.39Å; L94-A98 PolarHBondContact O-N 2.64Å; L94-V143 HydrophobicContact CD2-CG2 4.19Å; L94-A146 HydrophobicContact CD2-CB 4.49Å; L94-A146 HydrophobicContact CG-CB 4.44Å
95	V	95.8	Very high	94.8	Very high	45 Å²	45	34 Å²	34	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-64.7	-46.2	178.5	172.6	0	0	0	0	110.9	L91 A97 A98 A99 P205 S208	L91-V95 HydrophobicContact CD1-CG2 3.98Å; L91-V95 HydrophobicContact CG-CG2 4.42Å; L91-V95 WeakPolarHBondContact O-CB 3.36Å; L91-V95 WeakPolarHBondContact O-CG2 3.47Å; L91-V95 PolarHBondContact O-N 3.31Å; V95-A97 PolarHBondContact O-N 2.73Å; V95-A98 PolarHBondContact O-N 3.45Å; V95-A99 WeakPolarHBondContact O-CB 3.4Å; V95-A99 PolarHBondContact O-N 2.62Å; V95-P205 HydrophobicContact CG1-CB 4.39Å; V95-S208 VanDerWaalsContact CG1-CB 3.42Å; V95-S208 VanDerWaalsContact CG1-OG 3.31Å; V95-S208 WeakPolarHBondContact CG1-OG 3.33Å
96	G	96.8	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-38	179.1	0	0	0	0	0	113.2	F92 Q100	F92-G96 WeakPolarHBondContact O-CA 3.39Å; F92-G96 PolarHBondContact O-N 2.98Å; G96-Q100 VanDerWaalsContact O-CB 3.22Å; G96-Q100 WeakPolarHBondContact O-CB 3.14Å; G96-Q100 PolarHBondContact O-N 3.38Å
97	A	97.1	Very high	94.3	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-43.4	175.5	0	0	0	0	0	112.1	L38 I93 L94 V95 Y101 L138	L38-A97 HydrophobicContact CD2-CB 4.1Å; I93-A97 WeakPolarHBondContact O-CB 3.39Å; I93-A97 PolarHBondContact O-N 3.46Å; L94-A97 PolarHBondContact O-N 3.45Å; V95-A97 PolarHBondContact O-N 2.73Å; A97-Y101 WeakPolarHBondContact O-CB 3.39Å; A97-Y101 PolarHBondContact O-N 3.03Å; A97-L138 HydrophobicContact CB-CD2 4.44Å
98	A	95.1	Very high	93.9	Very high	33 Å²	33	28.2 Å²	28.2	27%	0.273	16%	0.158	S	C	.	.	H	α-helix	trans	-62.4	-53.6	175.4	0	0	0	0	0	111.4	L94 V95 Q100 Y101 F102 L138	L94-A98 WeakPolarHBondContact O-CB 3.39Å; L94-A98 PolarHBondContact O-N 2.64Å; V95-A98 PolarHBondContact O-N 3.45Å; A98-Q100 VanDerWaalsContact C-N 3.34Å; A98-Q100 PolarHBondContact O-N 3.38Å; A98-Y101 PolarHBondContact O-N 3.36Å; A98-Y101 VanDerWaalsContact O-N 3.15Å; A98-F102 WeakPolarHBondContact O-CD2 3.37Å; A98-F102 PolarHBondContact O-N 2.97Å; A98-F102 VanDerWaalsContact O-N 3.12Å; A98-L138 HydrophobicContact CB-CD2 4.34Å
99	A	95.5	Very high	93.6	Very high	6 Å²	6	27 Å²	27	5%	0.05	15%	0.152	C	C	.	.	H	α-helix	trans	-56.1	-47.6	178.5	0	0	0	0	0	111.5	V95 Y101 F102 I103 I110	V95-A99 WeakPolarHBondContact O-CB 3.4Å; V95-A99 PolarHBondContact O-N 2.62Å; A99-Y101 VanDerWaalsContact C-N 3.34Å; A99-Y101 PolarHBondContact O-N 2.98Å; A99-F102 PolarHBondContact O-N 3.1Å; A99-I103 HydrophobicContact CB-CD1 4.36Å; A99-I103 WeakPolarHBondContact O-CB 3.48Å; A99-I103 WeakPolarHBondContact O-CD1 3.12Å; A99-I103 WeakPolarHBondContact O-CG1 3.47Å; A99-I103 PolarHBondContact O-N 3.26Å; A99-I110 HydrophobicContact CB-CG1 4.36Å
100	Q	95.4	Very high	93.4	Very high	17 Å²	17	27.4 Å²	27.4	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-41.7	178.1	177.7	164	-91.3	0	0	112.7	C37 L38 N39 A41 G96 A98 M104	C37-Q100 PolarHBondContact O-NE2 2.89Å; C37-Q100 PolarHBondContact O-OE1 3.05Å; L38-Q100 PolarHBondContact O-OE1 3.1Å; N39-Q100 VanDerWaalsContact N-OE1 3.11Å; A41-Q100 HydrophobicContact CB-CG 4.21Å; G96-Q100 VanDerWaalsContact O-CB 3.22Å; G96-Q100 WeakPolarHBondContact O-CB 3.14Å; G96-Q100 PolarHBondContact O-N 3.38Å; A98-Q100 VanDerWaalsContact C-N 3.34Å; A98-Q100 PolarHBondContact O-N 3.38Å; Q100-M104 WeakPolarHBondContact O-CB 3.21Å; Q100-M104 PolarHBondContact O-N 3.41Å
101	Y	94.5	Very high	93.1	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.02	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-52.1	178.1	175.3	-97.6	0	0	0	111	A97 A98 A99 M104 T105 Y106 T131 M134 T137	A97-Y101 WeakPolarHBondContact O-CB 3.39Å; A97-Y101 PolarHBondContact O-N 3.03Å; A98-Y101 PolarHBondContact O-N 3.36Å; A98-Y101 VanDerWaalsContact O-N 3.15Å; A99-Y101 VanDerWaalsContact C-N 3.34Å; A99-Y101 PolarHBondContact O-N 2.98Å; Y101-M104 PolarHBondContact O-N 2.8Å; Y101-T105 WeakPolarHBondContact CE2-OG1 3.24Å; Y101-T105 VanDerWaalsContact O-CB 3.27Å; Y101-T105 WeakPolarHBondContact O-CB 3.07Å; Y101-T105 PolarHBondContact O-N 2.82Å; Y101-T105 PolarHBondContact O-OG1 3.01Å; Y101-Y106 HydrophobicContact CE1-CE2 4.11Å; Y101-T131 PolarHBondContact OH-OG1 3.41Å; Y101-M134 HydrophobicContact CD1-CG 3.9Å; Y101-M134 HydrophobicContact CE1-CB 3.72Å; Y101-M134 HydrophobicContact CE1-CG 3.48Å; Y101-M134 VanDerWaalsContact CE1-CG 3.48Å; Y101-M134 HydrophobicContact CE1-SD 4.08Å; Y101-M134 HydrophobicContact CE2-CB 4.2Å; Y101-M134 HydrophobicContact CE2-CG 4.49Å; Y101-M134 WeakPolarHBondContact OH-CB 3.37Å; Y101-T137 HydrophobicContact CD2-CG2 3.88Å
102	F	92.4	Very high	92.6	Very high	53 Å²	53	26.6 Å²	26.6	23%	0.232	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-39.1	-177.1	-75.4	-82.4	0	0	0	112.7	A98 A99 M104 Y106 G107 I108 M134	A98-F102 WeakPolarHBondContact O-CD2 3.37Å; A98-F102 PolarHBondContact O-N 2.97Å; A98-F102 VanDerWaalsContact O-N 3.12Å; A99-F102 PolarHBondContact O-N 3.1Å; F102-M104 VanDerWaalsContact C-N 3.27Å; F102-M104 PolarHBondContact O-N 2.85Å; F102-Y106 AromaticContact CD1-CD2 3.55Å; F102-Y106 HydrophobicContact CD1-CD2 3.55Å; F102-Y106 AromaticContact CD1-CE2 3.75Å; F102-Y106 HydrophobicContact CD1-CE2 3.75Å; F102-Y106 HydrophobicContact CE1-CD2 4.17Å; F102-Y106 AromaticContact CE1-CE2 3.9Å; F102-Y106 HydrophobicContact CE1-CE2 3.9Å; F102-Y106 HydrophobicContact CG-CD2 4.44Å; F102-Y106 PolarHBondContact O-N 3.13Å; F102-G107 PolarHBondContact O-N 2.87Å; F102-I108 HydrophobicContact CB-CD1 3.4Å; F102-I108 HydrophobicContact CB-CG1 3.75Å; F102-I108 HydrophobicContact CG-CD1 4.21Å; F102-M134 HydrophobicContact CE2-SD 4.46Å; F102-M134 HydrophobicContact CZ-SD 3.94Å
103	I	92.5	Very high	92	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-60.9	-39.6	175.1	-64.7	162.9	0	0	0	110.4	A41 A99 G107 I108 I110	A41-I103 HydrophobicContact CB-CB 4.16Å; A41-I103 HydrophobicContact CB-CG2 3.72Å; A99-I103 HydrophobicContact CB-CD1 4.36Å; A99-I103 WeakPolarHBondContact O-CB 3.48Å; A99-I103 WeakPolarHBondContact O-CD1 3.12Å; A99-I103 WeakPolarHBondContact O-CG1 3.47Å; A99-I103 PolarHBondContact O-N 3.26Å; I103-G107 VanDerWaalsContact O-CA 3.26Å; I103-G107 WeakPolarHBondContact O-CA 3.27Å; I103-G107 PolarHBondContact O-N 3.07Å; I103-I108 HydrophobicContact CG1-CG1 4.4Å; I103-I108 WeakPolarHBondContact CG1-O 3.24Å; I103-I110 HydrophobicContact CD1-CG1 4.27Å; I103-I110 HydrophobicContact CG1-CG1 4.42Å
104	M	91.2	Very high	91.6	Very high	96 Å²	96	27.4 Å²	27.4	47%	0.473	15%	0.15	S	C	.	.	H	α-helix	trans	-83	-33.6	-175.2	-168.7	161.9	63.3	0	0	113.7	Q100 Y101 F102	Q100-M104 WeakPolarHBondContact O-CB 3.21Å; Q100-M104 PolarHBondContact O-N 3.41Å; Y101-M104 PolarHBondContact O-N 2.8Å; F102-M104 VanDerWaalsContact C-N 3.27Å; F102-M104 PolarHBondContact O-N 2.85Å
105	T	89.8	Confident	91.4	Very high	21 Å²	21	24.2 Å²	24.2	13%	0.129	13%	0.133	C	C	.	.	H	α-helix	trans	-87.4	-39.4	-176.3	-55.6	0	0	0	0	112.2	Y101 Q420	Y101-T105 WeakPolarHBondContact CE2-OG1 3.24Å; Y101-T105 VanDerWaalsContact O-CB 3.27Å; Y101-T105 WeakPolarHBondContact O-CB 3.07Å; Y101-T105 PolarHBondContact O-N 2.82Å; Y101-T105 PolarHBondContact O-OG1 3.01Å; T105-Q420 HydrophobicContact CG2-CG 4.4Å
106	Y	87.3	Confident	90.9	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-113.8	-12.4	-174.4	-61.1	-75.8	0	0	0	113.7	Y101 F102 I108 Y476 L477	Y101-Y106 HydrophobicContact CE1-CE2 4.11Å; F102-Y106 AromaticContact CD1-CD2 3.55Å; F102-Y106 HydrophobicContact CD1-CD2 3.55Å; F102-Y106 AromaticContact CD1-CE2 3.75Å; F102-Y106 HydrophobicContact CD1-CE2 3.75Å; F102-Y106 HydrophobicContact CE1-CD2 4.17Å; F102-Y106 AromaticContact CE1-CE2 3.9Å; F102-Y106 HydrophobicContact CE1-CE2 3.9Å; F102-Y106 HydrophobicContact CG-CD2 4.44Å; F102-Y106 PolarHBondContact O-N 3.13Å; Y106-I108 VanDerWaalsContact C-N 3.35Å; Y106-Y476 PolarHBondContact O-N 2.95Å; Y106-L477 HydrophobicContact CD1-CD1 3.66Å; Y106-L477 HydrophobicContact CD1-CG 4.26Å; Y106-L477 HydrophobicContact CE1-CD1 4.05Å; Y106-L477 HydrophobicContact CG-CD1 4.23Å
107	G	85.4	Confident	90.4	Very high	24 Å²	24	23.7 Å²	23.7	25%	0.247	13%	0.129	C	C	.	.			trans	77.1	19.3	-179	0	0	0	0	0	114	F102 I103	F102-G107 PolarHBondContact O-N 2.87Å; I103-G107 VanDerWaalsContact O-CA 3.26Å; I103-G107 WeakPolarHBondContact O-CA 3.27Å; I103-G107 PolarHBondContact O-N 3.07Å
108	I	87.3	Confident	90	Very high	19 Å²	19	28.2 Å²	28.2	10%	0.097	15%	0.152	C	C	.	.			trans	-70.3	158.3	-177.4	71.1	164.5	0	0	0	112.5	F102 I103 Y106 I110 M114	F102-I108 HydrophobicContact CB-CD1 3.4Å; F102-I108 HydrophobicContact CB-CG1 3.75Å; F102-I108 HydrophobicContact CG-CD1 4.21Å; I103-I108 HydrophobicContact CG1-CG1 4.4Å; I103-I108 WeakPolarHBondContact CG1-O 3.24Å; Y106-I108 VanDerWaalsContact C-N 3.35Å; I108-I110 HydrophobicContact CD1-CD1 3.55Å; I108-I110 HydrophobicContact CG1-CD1 4.19Å; I108-M114 HydrophobicContact CB-CE 4.08Å; I108-M114 HydrophobicContact CD1-CE 4.44Å; I108-M114 HydrophobicContact CD1-CG 4.31Å; I108-M114 HydrophobicContact CD1-SD 4.12Å; I108-M114 HydrophobicContact CG2-CE 4.23Å
109	V	89.6	Confident	89.7	Confident	14 Å²	14	30.7 Å²	30.7	9%	0.085	16%	0.16	C	C	.	.			trans	-114	129.1	171.2	179.4	0	0	0	0	108.8	D111 M114 K201 L480 P481 I484	V109-D111 PolarHBondContact O-N 2.8Å; V109-D111 VanDerWaalsContact O-N 3.11Å; V109-M114 WeakPolarHBondContact O-CB 3.36Å; V109-K201 HydrophobicContact CG1-CB 3.56Å; V109-K201 HydrophobicContact CG1-CD 3.72Å; V109-K201 HydrophobicContact CG1-CG 4.29Å; V109-L480 HydrophobicContact CG2-CD2 3.91Å; V109-P481 HydrophobicContact CB-CG 4.23Å; V109-P481 HydrophobicContact CG1-CG 4.17Å; V109-I484 HydrophobicContact CG2-CD1 4.24Å
110	I	91.7	Very high	89.1	Confident	10 Å²	10	33.9 Å²	33.9	5%	0.051	18%	0.176	C	C	.	.			trans	-84.1	88.5	179.1	-52	-59.9	0	0	0	109	A99 I103 I108 M114 I115 N207 A211	A99-I110 HydrophobicContact CB-CG1 4.36Å; I103-I110 HydrophobicContact CD1-CG1 4.27Å; I103-I110 HydrophobicContact CG1-CG1 4.42Å; I108-I110 HydrophobicContact CD1-CD1 3.55Å; I108-I110 HydrophobicContact CG1-CD1 4.19Å; I110-M114 HydrophobicContact CD1-CG 4.21Å; I110-I115 HydrophobicContact CG2-CD1 4.3Å; I110-N207 HydrophobicContact CB-CB 4.2Å; I110-A211 HydrophobicContact CG2-CB 4.07Å
111	D	88.4	Confident	88.6	Confident	16 Å²	16	35.1 Å²	35.1	9%	0.086	19%	0.185	C	C	.	.	S	Bend	trans	-118.4	-174.1	175.8	77.4	-6.7	0	0	0	112.3	V109 S113 M114 I115 K201 P481	V109-D111 PolarHBondContact O-N 2.8Å; V109-D111 VanDerWaalsContact O-N 3.11Å; D111-S113 PolarHBondContact O-N 2.94Å; D111-S113 PolarHBondContact OD1-N 2.99Å; D111-S113 PolarHBondContact OD1-OG 3.42Å; D111-S113 PolarHBondContact OD2-OG 2.94Å; D111-S113 VanDerWaalsContact OD2-OG 3.05Å; D111-M114 PolarHBondContact O-N 3.46Å; D111-M114 WeakPolarHBondContact OD1-CB 3.05Å; D111-M114 PolarHBondContact OD1-N 3.11Å; D111-I115 WeakPolarHBondContact O-CG1 3.26Å; D111-I115 PolarHBondContact O-N 2.88Å; D111-I115 VanDerWaalsContact O-N 3.13Å; D111-K201 HydrophobicContact CB-CD 3.78Å; D111-P481 WeakPolarHBondContact OD2-CG 3.46Å
112	R	87.4	Confident	88	Confident	82 Å²	82	36.4 Å²	36.4	31%	0.309	19%	0.193	S	C	.	.	H	α-helix	trans	-59.4	-46.6	-178	-174	-174.5	72.3	-137.1	-4.2	111.9	M114 I115 A116 W215 H218 E310	R112-M114 VanDerWaalsContact C-N 3.33Å; R112-M114 PolarHBondContact O-N 2.97Å; R112-I115 PolarHBondContact O-N 3.44Å; R112-A116 PolarHBondContact O-N 2.91Å; R112-W215 HydrophobicContact CG-CB 4.06Å; R112-H218 PolarHBondContact NH1-CD2 2.85Å; R112-H218 PolarHBondContact NH1-NE2 3.37Å; R112-E310 IonicContact CZ-OE2 3.95Å; R112-E310 IonicContact NE-OE2 3.41Å; R112-E310 PolarHBondContact NE-OE2 3.15Å; R112-E310 IonicContact NH2-OE2 2.77Å; R112-E310 PolarHBondContact NH2-OE2 3.38Å
113	S	84.5	Confident	87.7	Confident	22 Å²	22	39.3 Å²	39.3	15%	0.154	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-39.4	179	29.4	0	0	0	0	111.8	D111 I115 A116 N117	D111-S113 PolarHBondContact O-N 2.94Å; D111-S113 PolarHBondContact OD1-N 2.99Å; D111-S113 PolarHBondContact OD1-OG 3.42Å; D111-S113 PolarHBondContact OD2-OG 2.94Å; D111-S113 VanDerWaalsContact OD2-OG 3.05Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.22Å; S113-A116 WeakPolarHBondContact O-CB 3.41Å; S113-A116 PolarHBondContact O-N 3.45Å; S113-A116 VanDerWaalsContact O-N 3.15Å; S113-N117 VanDerWaalsContact O-CG 3.3Å; S113-N117 PolarHBondContact O-N 2.64Å; S113-N117 PolarHBondContact O-OD1 3.24Å
114	M	89.3	Confident	87.1	Confident	18 Å²	18	40.1 Å²	40.1	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-36.6	175.4	-174.5	57.5	58.7	0	0	112	I108 V109 I110 D111 R112 N117 I118	I108-M114 HydrophobicContact CB-CE 4.08Å; I108-M114 HydrophobicContact CD1-CE 4.44Å; I108-M114 HydrophobicContact CD1-CG 4.31Å; I108-M114 HydrophobicContact CD1-SD 4.12Å; I108-M114 HydrophobicContact CG2-CE 4.23Å; V109-M114 WeakPolarHBondContact O-CB 3.36Å; I110-M114 HydrophobicContact CD1-CG 4.21Å; D111-M114 PolarHBondContact O-N 3.46Å; D111-M114 WeakPolarHBondContact OD1-CB 3.05Å; D111-M114 PolarHBondContact OD1-N 3.11Å; R112-M114 VanDerWaalsContact C-N 3.33Å; R112-M114 PolarHBondContact O-N 2.97Å; M114-N117 PolarHBondContact O-N 2.7Å; M114-I118 HydrophobicContact CG-CD1 4.2Å; M114-I118 WeakPolarHBondContact O-CD1 3.47Å; M114-I118 VanDerWaalsContact O-CG1 3.22Å; M114-I118 WeakPolarHBondContact O-CG1 3.42Å; M114-I118 PolarHBondContact O-N 3.28Å
115	I	91.6	Very high	86.8	Confident	15 Å²	15	37.2 Å²	37.2	8%	0.077	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-39.9	173.3	-62.2	-61.2	0	0	0	111.5	I110 D111 R112 S113 I118 I119 A211 W215	I110-I115 HydrophobicContact CG2-CD1 4.3Å; D111-I115 WeakPolarHBondContact O-CG1 3.26Å; D111-I115 PolarHBondContact O-N 2.88Å; D111-I115 VanDerWaalsContact O-N 3.13Å; R112-I115 PolarHBondContact O-N 3.44Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.22Å; I115-I118 HydrophobicContact CD1-CD1 4.29Å; I115-I118 PolarHBondContact O-N 3.15Å; I115-I119 HydrophobicContact CG2-CD1 3.82Å; I115-I119 VanDerWaalsContact O-CG1 3.32Å; I115-I119 WeakPolarHBondContact O-CG1 3.35Å; I115-I119 PolarHBondContact O-N 2.9Å; I115-I119 VanDerWaalsContact O-N 3.09Å; I115-A211 HydrophobicContact CD1-CB 4.24Å; I115-A211 HydrophobicContact CG1-CB 3.59Å; I115-W215 HydrophobicContact CB-CB 4.2Å; I115-W215 HydrophobicContact CB-CG 4.4Å; I115-W215 HydrophobicContact CG2-CB 3.81Å; I115-W215 HydrophobicContact CG2-CD2 4.15Å; I115-W215 HydrophobicContact CG2-CG 3.79Å
116	A	86.7	Confident	86.6	Confident	5 Å²	5	38.9 Å²	38.9	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-49.4	173.7	0	0	0	0	0	110.6	R112 S113 I118 I119 D120	R112-A116 PolarHBondContact O-N 2.91Å; S113-A116 WeakPolarHBondContact O-CB 3.41Å; S113-A116 PolarHBondContact O-N 3.45Å; S113-A116 VanDerWaalsContact O-N 3.15Å; A116-I118 VanDerWaalsContact C-N 3.33Å; A116-I118 PolarHBondContact O-N 2.96Å; A116-I119 PolarHBondContact O-N 3.44Å; A116-D120 PolarHBondContact O-N 2.97Å
117	N	86.3	Confident	86.6	Confident	29 Å²	29	46.2 Å²	46.2	16%	0.155	25%	0.252	C	S	.	.	H	α-helix	trans	-56	-46	176.3	-67.6	-7.9	0	0	0	111.7	S113 M114 I119 D120 T121 A291	S113-N117 VanDerWaalsContact O-CG 3.3Å; S113-N117 PolarHBondContact O-N 2.64Å; S113-N117 PolarHBondContact O-OD1 3.24Å; M114-N117 PolarHBondContact O-N 2.7Å; N117-I119 VanDerWaalsContact C-N 3.25Å; N117-I119 PolarHBondContact O-N 3.26Å; N117-D120 PolarHBondContact O-N 3.48Å; N117-T121 WeakPolarHBondContact O-CB 3.45Å; N117-T121 PolarHBondContact O-N 3.31Å; N117-T121 PolarHBondContact O-OG1 3.19Å; N117-A291 WeakPolarHBondContact ND2-CB 3.33Å
118	I	89	Confident	86.6	Confident	97 Å²	97	45.6 Å²	45.6	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-59.5	-36	177.7	-72.1	163.3	0	0	0	112.2	M114 I115 A116 T121	M114-I118 HydrophobicContact CG-CD1 4.2Å; M114-I118 WeakPolarHBondContact O-CD1 3.47Å; M114-I118 VanDerWaalsContact O-CG1 3.22Å; M114-I118 WeakPolarHBondContact O-CG1 3.42Å; M114-I118 PolarHBondContact O-N 3.28Å; I115-I118 HydrophobicContact CD1-CD1 4.29Å; I115-I118 PolarHBondContact O-N 3.15Å; A116-I118 VanDerWaalsContact C-N 3.33Å; A116-I118 PolarHBondContact O-N 2.96Å; I118-T121 WeakPolarHBondContact CA-OG1 3.44Å
119	I	87.6	Confident	86.5	Confident	85 Å²	85	46.8 Å²	46.8	44%	0.436	25%	0.251	S	S	.	.	H	α-helix	trans	-78.1	-36.6	-179.3	-69.4	170.3	0	0	0	111.1	I115 A116 N117 T121 W215	I115-I119 HydrophobicContact CG2-CD1 3.82Å; I115-I119 VanDerWaalsContact O-CG1 3.32Å; I115-I119 WeakPolarHBondContact O-CG1 3.35Å; I115-I119 PolarHBondContact O-N 2.9Å; I115-I119 VanDerWaalsContact O-N 3.09Å; A116-I119 PolarHBondContact O-N 3.44Å; N117-I119 VanDerWaalsContact C-N 3.25Å; N117-I119 PolarHBondContact O-N 3.26Å; I119-T121 VanDerWaalsContact C-N 3.32Å; I119-W215 HydrophobicContact CD1-CD2 3.68Å; I119-W215 VanDerWaalsContact CD1-CE2 3.47Å; I119-W215 HydrophobicContact CD1-CE3 3.72Å; I119-W215 HydrophobicContact CD1-CH2 3.46Å; I119-W215 VanDerWaalsContact CD1-CH2 3.46Å; I119-W215 HydrophobicContact CD1-CZ2 3.39Å; I119-W215 HydrophobicContact CD1-CZ3 3.62Å; I119-W215 HydrophobicContact CG2-CZ2 4.17Å
120	D	82.8	Confident	86.5	Confident	73 Å²	73	50.2 Å²	50.2	39%	0.39	27%	0.267	S	S	.	.	H	α-helix	trans	-82.3	-10.6	179.1	-67.1	-15.3	0	0	0	112.9	A116 N117 T122	A116-D120 PolarHBondContact O-N 2.97Å; N117-D120 PolarHBondContact O-N 3.48Å; D120-T122 PolarHBondContact O-N 3.35Å
121	T	84.9	Confident	86.3	Confident	43 Å²	43	49.8 Å²	49.8	26%	0.264	27%	0.265	S	S	.	.			trans	-60.4	129.3	-179.4	-58	0	0	0	0	110.7	N117 I118 I119 E125 S126	N117-T121 WeakPolarHBondContact O-CB 3.45Å; N117-T121 PolarHBondContact O-N 3.31Å; N117-T121 PolarHBondContact O-OG1 3.19Å; I118-T121 WeakPolarHBondContact CA-OG1 3.44Å; I119-T121 VanDerWaalsContact C-N 3.32Å; T121-E125 VanDerWaalsContact CA-OE2 3.31Å; T121-E125 WeakPolarHBondContact CA-OE2 3.4Å; T121-E125 HydrophobicContact CG2-CB 3.66Å; T121-E125 WeakPolarHBondContact CG2-OE2 3.5Å; T121-S126 WeakPolarHBondContact CG2-OG 3.41Å
122	T	83.3	Confident	86.4	Confident	32 Å²	32	53.3 Å²	53.3	20%	0.196	29%	0.288	C	S	.	.			trans	-79.6	162.6	178.5	67.7	0	0	0	0	112.6	D120 A124 E125 S126	D120-T122 PolarHBondContact O-N 3.35Å; T122-A124 PolarHBondContact O-N 3.12Å; T122-E125 WeakPolarHBondContact CB-OE1 3.43Å; T122-E125 VanDerWaalsContact CG2-OE1 3.29Å; T122-E125 WeakPolarHBondContact CG2-OE1 3.36Å; T122-E125 PolarHBondContact N-OE2 3.26Å; T122-E125 PolarHBondContact O-N 2.84Å; T122-E125 WeakPolarHBondContact OG1-CG 3.15Å; T122-E125 PolarHBondContact OG1-N 2.96Å; T122-E125 PolarHBondContact OG1-OE1 3.42Å; T122-S126 WeakPolarHBondContact O-CB 3.29Å; T122-S126 PolarHBondContact O-N 2.89Å; T122-S126 PolarHBondContact O-OG 3.45Å; T122-S126 VanDerWaalsContact O-OG 3.05Å
123	P	85	Confident	86.5	Confident	115 Å²	115	53.2 Å²	53.2	75%	0.747	29%	0.292	S	S	*	.	H	α-helix	trans	-58.8	-31.5	173.8	-26	35.4	0	0	0	113.8	Y127	P123-Y127 WeakPolarHBondContact O-CB 3.46Å; P123-Y127 PolarHBondContact O-N 3.41Å
124	A	81.1	Confident	86.8	Confident	25 Å²	25	53.1 Å²	53.1	21%	0.207	29%	0.289	C	S	.	.	H	α-helix	trans	-69.3	-49.4	178.7	0	0	0	0	0	111.2	T122 S126 Y127 A128 E364	T122-A124 PolarHBondContact O-N 3.12Å; A124-S126 VanDerWaalsContact C-N 3.33Å; A124-S126 PolarHBondContact O-N 3.48Å; A124-Y127 PolarHBondContact O-N 3.03Å; A124-A128 PolarHBondContact O-N 2.94Å; A124-E364 HydrophobicContact CB-CG 3.97Å
125	E	83.5	Confident	87	Confident	35 Å²	35	56.9 Å²	56.9	16%	0.164	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-44.1	173.6	-72.7	153.2	-125.2	0	0	111.8	T121 T122 Y127 A128 L129	T121-E125 VanDerWaalsContact CA-OE2 3.31Å; T121-E125 WeakPolarHBondContact CA-OE2 3.4Å; T121-E125 HydrophobicContact CG2-CB 3.66Å; T121-E125 WeakPolarHBondContact CG2-OE2 3.5Å; T122-E125 WeakPolarHBondContact CB-OE1 3.43Å; T122-E125 VanDerWaalsContact CG2-OE1 3.29Å; T122-E125 WeakPolarHBondContact CG2-OE1 3.36Å; T122-E125 PolarHBondContact N-OE2 3.26Å; T122-E125 PolarHBondContact O-N 2.84Å; T122-E125 WeakPolarHBondContact OG1-CG 3.15Å; T122-E125 PolarHBondContact OG1-N 2.96Å; T122-E125 PolarHBondContact OG1-OE1 3.42Å; E125-Y127 VanDerWaalsContact C-N 3.3Å; E125-Y127 PolarHBondContact O-N 2.74Å; E125-A128 WeakPolarHBondContact O-CB 3.49Å; E125-A128 PolarHBondContact O-N 2.92Å; E125-A128 VanDerWaalsContact O-N 3.15Å; E125-L129 PolarHBondContact O-N 3.06Å; E125-L129 VanDerWaalsContact O-N 3.1Å
126	S	86.1	Confident	87.2	Confident	55 Å²	55	61.3 Å²	61.3	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-58.4	-43.1	177.1	-67.6	0	0	0	0	111.7	T121 T122 A124 L129 M130	T121-S126 WeakPolarHBondContact CG2-OG 3.41Å; T122-S126 WeakPolarHBondContact O-CB 3.29Å; T122-S126 PolarHBondContact O-N 2.89Å; T122-S126 PolarHBondContact O-OG 3.45Å; T122-S126 VanDerWaalsContact O-OG 3.05Å; A124-S126 VanDerWaalsContact C-N 3.33Å; A124-S126 PolarHBondContact O-N 3.48Å; S126-L129 PolarHBondContact O-N 2.98Å; S126-M130 WeakPolarHBondContact O-CG 3.19Å
127	Y	86.6	Confident	87.5	Confident	157 Å²	157	63.4 Å²	63.4	62%	0.616	35%	0.345	S	S	*	.	H	α-helix	trans	-68	-38.6	176.9	-175	-100.4	0	0	0	111.9	P123 A124 E125 L129 M130	P123-Y127 WeakPolarHBondContact O-CB 3.46Å; P123-Y127 PolarHBondContact O-N 3.41Å; A124-Y127 PolarHBondContact O-N 3.03Å; E125-Y127 VanDerWaalsContact C-N 3.3Å; E125-Y127 PolarHBondContact O-N 2.74Å; Y127-L129 PolarHBondContact O-N 2.82Å; Y127-M130 HydrophobicContact CD2-SD 4.21Å; Y127-M130 WeakPolarHBondContact O-CB 3.31Å; Y127-M130 PolarHBondContact O-N 3.18Å
128	A	85.3	Confident	88	Confident	11 Å²	11	64 Å²	64	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-29.9	176.2	0	0	0	0	0	112.8	A124 E125 T398 N417	A124-A128 PolarHBondContact O-N 2.94Å; E125-A128 WeakPolarHBondContact O-CB 3.49Å; E125-A128 PolarHBondContact O-N 2.92Å; E125-A128 VanDerWaalsContact O-N 3.15Å; A128-T398 HydrophobicContact CB-CG2 3.95Å; A128-N417 WeakPolarHBondContact O-CB 3.15Å; A128-N417 PolarHBondContact O-ND2 3.22Å
129	L	85.9	Confident	88.3	Confident	44 Å²	44	60.7 Å²	60.7	23%	0.23	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.7	175.1	-70.8	167.2	0	0	0	114.2	E125 S126 Y127 T131 P397	E125-L129 PolarHBondContact O-N 3.06Å; E125-L129 VanDerWaalsContact O-N 3.1Å; S126-L129 PolarHBondContact O-N 2.98Å; Y127-L129 PolarHBondContact O-N 2.82Å; L129-T131 PolarHBondContact O-N 2.99Å; L129-P397 HydrophobicContact CD2-CG 3.98Å
130	M	88.7	Confident	88.7	Confident	86 Å²	86	63.2 Å²	63.2	42%	0.424	35%	0.346	S	S	.	.			trans	-74.2	115.7	-176.2	-67.4	-175.5	72.9	0	0	112	S126 Y127 M134 L135 N417	S126-M130 WeakPolarHBondContact O-CG 3.19Å; Y127-M130 HydrophobicContact CD2-SD 4.21Å; Y127-M130 WeakPolarHBondContact O-CB 3.31Å; Y127-M130 PolarHBondContact O-N 3.18Å; M130-M134 HydrophobicContact CB-CE 4.2Å; M130-M134 HydrophobicContact CG-CE 3.96Å; M130-L135 HydrophobicContact CE-CD1 4.46Å; M130-L135 HydrophobicContact CE-CD2 3.93Å; M130-N417 PolarHBondContact O-ND2 3.38Å
131	T	88.4	Confident	89.3	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	33%	0.334	C	S	.	.			trans	-117.5	153	175.1	75.7	0	0	0	0	112.2	Y101 L129 Q133 M134 L135 E418	Y101-T131 PolarHBondContact OH-OG1 3.41Å; L129-T131 PolarHBondContact O-N 2.99Å; T131-Q133 PolarHBondContact O-N 2.99Å; T131-M134 WeakPolarHBondContact O-CB 3.34Å; T131-M134 PolarHBondContact O-N 3.42Å; T131-M134 VanDerWaalsContact OG1-CB 3.32Å; T131-M134 WeakPolarHBondContact OG1-CB 3.42Å; T131-M134 PolarHBondContact OG1-N 3.32Å; T131-L135 WeakPolarHBondContact O-CG 3.4Å; T131-L135 PolarHBondContact O-N 3.33Å; T131-E418 WeakPolarHBondContact CB-OE1 3.33Å; T131-E418 HydrophobicContact CG2-CG 3.59Å
132	P	90.1	Very high	89.8	Confident	89 Å²	89	58.9 Å²	58.9	58%	0.578	32%	0.323	S	S	*	.	H	α-helix	trans	-57.5	-38.5	171.3	-23.9	34.4	0	0	0	112.2	L135 L136	P132-L135 PolarHBondContact O-N 2.87Å; P132-L136 WeakPolarHBondContact O-CB 3.45Å; P132-L136 VanDerWaalsContact O-CG 3.31Å; P132-L136 WeakPolarHBondContact O-CG 3.4Å; P132-L136 PolarHBondContact O-N 2.76Å
133	Q	90	Very high	90.4	Very high	81 Å²	81	60.9 Å²	60.9	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-43.6	175.8	-174.6	-177.9	5.9	0	0	111.9	T131 T137 E418	T131-Q133 PolarHBondContact O-N 2.99Å; Q133-T137 VanDerWaalsContact O-CB 3.26Å; Q133-T137 WeakPolarHBondContact O-CB 3.3Å; Q133-T137 PolarHBondContact O-N 3.07Å; Q133-T137 PolarHBondContact O-OG1 3.37Å; Q133-E418 WeakPolarHBondContact CB-OE1 3.21Å; Q133-E418 PolarHBondContact N-OE1 3.29Å
134	M	91.8	Very high	90.9	Very high	19 Å²	19	59 Å²	59	9%	0.094	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-50.7	175.8	-175.3	-176.6	76.7	0	0	110.6	Y101 F102 M130 T131 L136 T137 L138	Y101-M134 HydrophobicContact CD1-CG 3.9Å; Y101-M134 HydrophobicContact CE1-CB 3.72Å; Y101-M134 HydrophobicContact CE1-CG 3.48Å; Y101-M134 VanDerWaalsContact CE1-CG 3.48Å; Y101-M134 HydrophobicContact CE1-SD 4.08Å; Y101-M134 HydrophobicContact CE2-CB 4.2Å; Y101-M134 HydrophobicContact CE2-CG 4.49Å; Y101-M134 WeakPolarHBondContact OH-CB 3.37Å; F102-M134 HydrophobicContact CE2-SD 4.46Å; F102-M134 HydrophobicContact CZ-SD 3.94Å; M130-M134 HydrophobicContact CB-CE 4.2Å; M130-M134 HydrophobicContact CG-CE 3.96Å; T131-M134 WeakPolarHBondContact O-CB 3.34Å; T131-M134 PolarHBondContact O-N 3.42Å; T131-M134 VanDerWaalsContact OG1-CB 3.32Å; T131-M134 WeakPolarHBondContact OG1-CB 3.42Å; T131-M134 PolarHBondContact OG1-N 3.32Å; M134-L136 VanDerWaalsContact C-N 3.34Å; M134-L136 PolarHBondContact O-N 2.83Å; M134-T137 PolarHBondContact O-N 2.94Å; M134-L138 HydrophobicContact CG-CD1 3.67Å; M134-L138 HydrophobicContact CG-CG 4.08Å; M134-L138 WeakPolarHBondContact O-CB 3.4Å; M134-L138 WeakPolarHBondContact O-CG 3.41Å; M134-L138 PolarHBondContact O-N 3.2Å; M134-L138 HydrophobicContact SD-CD1 4.27Å
135	L	93.4	Very high	91.6	Very high	98 Å²	98	58.4 Å²	58.4	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-42.8	-178.4	-70.4	175.1	0	0	0	112.1	M130 T131 P132 G139	M130-L135 HydrophobicContact CE-CD1 4.46Å; M130-L135 HydrophobicContact CE-CD2 3.93Å; T131-L135 WeakPolarHBondContact O-CG 3.4Å; T131-L135 PolarHBondContact O-N 3.33Å; P132-L135 PolarHBondContact O-N 2.87Å; L135-G139 WeakPolarHBondContact O-CA 3.45Å; L135-G139 PolarHBondContact O-N 2.9Å
136	L	94.9	Very high	92.1	Very high	108 Å²	108	57.2 Å²	57.2	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-66	-46.8	175.2	-70.1	173.6	0	0	0	111.1	P132 M134 G139 F140	P132-L136 WeakPolarHBondContact O-CB 3.45Å; P132-L136 VanDerWaalsContact O-CG 3.31Å; P132-L136 WeakPolarHBondContact O-CG 3.4Å; P132-L136 PolarHBondContact O-N 2.76Å; M134-L136 VanDerWaalsContact C-N 3.34Å; M134-L136 PolarHBondContact O-N 2.83Å; L136-G139 PolarHBondContact O-N 3.49Å; L136-F140 HydrophobicContact CD2-CE2 4.31Å; L136-F140 WeakPolarHBondContact O-CD2 3.34Å; L136-F140 PolarHBondContact O-N 3.5Å
137	T	93.5	Very high	92.5	Very high	49 Å²	49	59.7 Å²	59.7	30%	0.301	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-48.6	-177.3	-56.3	0	0	0	0	111.5	Y101 Q133 M134 G139 F140 S141	Y101-T137 HydrophobicContact CD2-CG2 3.88Å; Q133-T137 VanDerWaalsContact O-CB 3.26Å; Q133-T137 WeakPolarHBondContact O-CB 3.3Å; Q133-T137 PolarHBondContact O-N 3.07Å; Q133-T137 PolarHBondContact O-OG1 3.37Å; M134-T137 PolarHBondContact O-N 2.94Å; T137-G139 VanDerWaalsContact C-N 3.33Å; T137-F140 PolarHBondContact O-N 2.94Å; T137-S141 WeakPolarHBondContact O-CB 3.2Å; T137-S141 PolarHBondContact O-N 3.4Å; T137-S141 PolarHBondContact O-OG 2.89Å
138	L	95.5	Very high	92.8	Very high	40 Å²	40	56 Å²	56	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-68.5	-33.9	176	-61.9	-176.3	0	0	0	111.8	A97 A98 M134 G142 V143	A97-L138 HydrophobicContact CB-CD2 4.44Å; A98-L138 HydrophobicContact CB-CD2 4.34Å; M134-L138 HydrophobicContact CG-CD1 3.67Å; M134-L138 HydrophobicContact CG-CG 4.08Å; M134-L138 WeakPolarHBondContact O-CB 3.4Å; M134-L138 WeakPolarHBondContact O-CG 3.41Å; M134-L138 PolarHBondContact O-N 3.2Å; M134-L138 HydrophobicContact SD-CD1 4.27Å; L138-G142 CarbonylContact O-C 3.43Å; L138-G142 WeakPolarHBondContact O-CA 3.4Å; L138-G142 PolarHBondContact O-N 3.41Å; L138-V143 PolarHBondContact O-N 3.36Å
139	G	96.1	Very high	93.1	Very high	28 Å²	28	55.9 Å²	55.9	29%	0.289	31%	0.307	S	S	.	.	I	π-helix	trans	-59.6	-47.6	173.1	0	0	0	0	0	112.5	L135 L136 T137 L144	L135-G139 WeakPolarHBondContact O-CA 3.45Å; L135-G139 PolarHBondContact O-N 2.9Å; L136-G139 PolarHBondContact O-N 3.49Å; T137-G139 VanDerWaalsContact C-N 3.33Å; G139-L144 VanDerWaalsContact O-CB 3.24Å; G139-L144 WeakPolarHBondContact O-CB 3.5Å; G139-L144 PolarHBondContact O-N 3.31Å
140	F	95.5	Very high	93.3	Very high	139 Å²	139	56.3 Å²	56.3	61%	0.61	31%	0.313	S	S	*	.	I	π-helix	trans	-79.9	-50.2	-179.9	-77.9	-69.4	0	0	0	113.3	L136 T137 L144	L136-F140 HydrophobicContact CD2-CE2 4.31Å; L136-F140 WeakPolarHBondContact O-CD2 3.34Å; L136-F140 PolarHBondContact O-N 3.5Å; T137-F140 PolarHBondContact O-N 2.94Å; F140-L144 HydrophobicContact CD1-CD2 3.71Å; F140-L144 HydrophobicContact CE1-CD2 4.22Å
141	S	95.3	Very high	93.4	Very high	22 Å²	22	56.9 Å²	56.9	15%	0.154	31%	0.311	C	S	.	.	I	π-helix	trans	-81.5	-26.2	-173.6	67.2	0	0	0	0	113.8	Y33 T137 A145	Y33-S141 VanDerWaalsContact OH-CA 3.28Å; Y33-S141 WeakPolarHBondContact OH-CA 3.33Å; Y33-S141 PolarHBondContact OH-O 3.48Å; T137-S141 WeakPolarHBondContact O-CB 3.2Å; T137-S141 PolarHBondContact O-N 3.4Å; T137-S141 PolarHBondContact O-OG 2.89Å; S141-A145 WeakPolarHBondContact O-CB 3.24Å
142	G	95.8	Very high	93.5	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.021	31%	0.313	C	S	.	.	I	π-helix	trans	-103.4	-74.6	178.8	0	0	0	0	0	112.2	I93 L138 A145 A146	I93-G142 VanDerWaalsContact CG2-O 3.29Å; I93-G142 WeakPolarHBondContact CG2-O 3.46Å; L138-G142 CarbonylContact O-C 3.43Å; L138-G142 WeakPolarHBondContact O-CA 3.4Å; L138-G142 PolarHBondContact O-N 3.41Å; G142-A145 PolarHBondContact O-N 3.25Å; G142-A146 WeakPolarHBondContact O-CB 3.43Å; G142-A146 PolarHBondContact O-N 3.14Å
143	V	95.8	Very high	93.3	Very high	74 Å²	74	59.3 Å²	59.3	45%	0.448	31%	0.312	S	S	.	.	I	π-helix	trans	-62.1	-51.2	-169.2	179.2	0	0	0	0	111.8	L94 L138 A145 A146 L147	L94-V143 HydrophobicContact CD2-CG2 4.19Å; L138-V143 PolarHBondContact O-N 3.36Å; V143-A145 PolarHBondContact O-N 2.94Å; V143-A146 PolarHBondContact O-N 2.92Å; V143-L147 HydrophobicContact CG1-CD1 4.02Å; V143-L147 HydrophobicContact CG1-CG 4.39Å; V143-L147 WeakPolarHBondContact O-CB 3.15Å; V143-L147 VanDerWaalsContact O-CG 3.28Å; V143-L147 WeakPolarHBondContact O-CG 3.37Å; V143-L147 PolarHBondContact O-N 3.28Å
144	L	95.8	Very high	93.1	Very high	75 Å²	75	57.3 Å²	57.3	39%	0.393	30%	0.304	S	S	.	.	I	π-helix	trans	-63.5	-42.7	179.5	178.6	64.3	0	0	0	111.5	G139 F140 A146 L147 I148	G139-L144 VanDerWaalsContact O-CB 3.24Å; G139-L144 WeakPolarHBondContact O-CB 3.5Å; G139-L144 PolarHBondContact O-N 3.31Å; F140-L144 HydrophobicContact CD1-CD2 3.71Å; F140-L144 HydrophobicContact CE1-CD2 4.22Å; L144-A146 PolarHBondContact O-N 3.23Å; L144-L147 PolarHBondContact O-N 3.43Å; L144-I148 HydrophobicContact CD1-CD1 4.16Å; L144-I148 HydrophobicContact CD1-CG1 4.31Å; L144-I148 HydrophobicContact CG-CD1 3.91Å; L144-I148 HydrophobicContact CG-CG1 4.48Å; L144-I148 WeakPolarHBondContact O-CB 3.19Å; L144-I148 VanDerWaalsContact O-CG1 3.25Å; L144-I148 WeakPolarHBondContact O-CG1 3.4Å; L144-I148 PolarHBondContact O-N 3.42Å
145	A	94.7	Very high	92.8	Very high	14 Å²	14	61.7 Å²	61.7	12%	0.116	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-42.6	176.6	0	0	0	0	0	112.1	Y33 I93 S141 G142 V143 I148 A149	Y33-A145 HydrophobicContact CD1-CB 4.4Å; Y33-A145 HydrophobicContact CE1-CB 3.55Å; I93-A145 HydrophobicContact CG2-CB 3.8Å; S141-A145 WeakPolarHBondContact O-CB 3.24Å; G142-A145 PolarHBondContact O-N 3.25Å; V143-A145 PolarHBondContact O-N 2.94Å; A145-I148 PolarHBondContact O-N 2.98Å; A145-A149 WeakPolarHBondContact O-CB 3.48Å; A145-A149 PolarHBondContact O-N 3.21Å
146	A	95.2	Very high	92	Very high	10 Å²	10	62.7 Å²	62.7	8%	0.083	34%	0.335	C	S	.	.	H	α-helix	trans	-65.5	-41.5	174.7	0	0	0	0	0	112.1	C90 I93 L94 G142 V143 L144 A149 C150	C90-A146 HydrophobicContact CB-CB 4.14Å; I93-A146 HydrophobicContact CG2-CB 4.19Å; L94-A146 HydrophobicContact CD2-CB 4.49Å; L94-A146 HydrophobicContact CG-CB 4.44Å; G142-A146 WeakPolarHBondContact O-CB 3.43Å; G142-A146 PolarHBondContact O-N 3.14Å; V143-A146 PolarHBondContact O-N 2.92Å; L144-A146 PolarHBondContact O-N 3.23Å; A146-A149 PolarHBondContact O-N 2.91Å; A146-C150 PolarHBondContact O-N 3.39Å
147	L	94.4	Very high	91.2	Very high	106 Å²	106	60.5 Å²	60.5	56%	0.555	33%	0.332	S	S	*	.	H	α-helix	trans	-62	-42.9	174.4	-73.3	175.4	0	0	0	111.6	V143 L144 C150 W151	V143-L147 HydrophobicContact CG1-CD1 4.02Å; V143-L147 HydrophobicContact CG1-CG 4.39Å; V143-L147 WeakPolarHBondContact O-CB 3.15Å; V143-L147 VanDerWaalsContact O-CG 3.28Å; V143-L147 WeakPolarHBondContact O-CG 3.37Å; V143-L147 PolarHBondContact O-N 3.28Å; L144-L147 PolarHBondContact O-N 3.43Å; L147-C150 PolarHBondContact O-N 2.8Å; L147-W151 WeakPolarHBondContact O-CB 3.15Å; L147-W151 PolarHBondContact O-N 2.83Å
148	I	92.5	Very high	90.4	Very high	79 Å²	79	64.9 Å²	64.9	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-46.7	174.7	-70.6	166.8	0	0	0	110.2	L144 A145 C150 W151 I152	L144-I148 HydrophobicContact CD1-CD1 4.16Å; L144-I148 HydrophobicContact CD1-CG1 4.31Å; L144-I148 HydrophobicContact CG-CD1 3.91Å; L144-I148 HydrophobicContact CG-CG1 4.48Å; L144-I148 WeakPolarHBondContact O-CB 3.19Å; L144-I148 VanDerWaalsContact O-CG1 3.25Å; L144-I148 WeakPolarHBondContact O-CG1 3.4Å; L144-I148 PolarHBondContact O-N 3.42Å; A145-I148 PolarHBondContact O-N 2.98Å; I148-C150 VanDerWaalsContact C-N 3.28Å; I148-C150 PolarHBondContact O-N 2.97Å; I148-W151 PolarHBondContact O-N 2.85Å; I148-W151 VanDerWaalsContact O-N 3.08Å; I148-I152 HydrophobicContact CG2-CD1 4Å; I148-I152 HydrophobicContact CG2-CG1 4.37Å; I148-I152 WeakPolarHBondContact O-CG1 3.33Å; I148-I152 PolarHBondContact O-N 3.36Å
149	A	91.4	Very high	89.8	Confident	9 Å²	9	65 Å²	65	7%	0.074	36%	0.364	C	S	.	.	H	α-helix	trans	-57.5	-40.7	177.8	0	0	0	0	0	112.1	W26 I93 A145 A146	W26-A149 HydrophobicContact CZ2-CB 4.22Å; W26-A149 PolarHBondContact NE1-O 3.25Å; I93-A149 HydrophobicContact CD1-CB 4.2Å; A145-A149 WeakPolarHBondContact O-CB 3.48Å; A145-A149 PolarHBondContact O-N 3.21Å; A146-A149 PolarHBondContact O-N 2.91Å
150	C	91.4	Very high	89.1	Confident	53 Å²	53	74.5 Å²	74.5	36%	0.358	39%	0.391	S	S	.	.	H	α-helix	trans	-71.6	-35.1	173.8	-82.6	0	0	0	0	113.8	R86 C90 A146 L147 I148	R86-C150 PolarHBondContact NH1-O 2.78Å; C90-C150 PolarHBondContact SG-SG 3.15Å; A146-C150 PolarHBondContact O-N 3.39Å; L147-C150 PolarHBondContact O-N 2.8Å; I148-C150 VanDerWaalsContact C-N 3.28Å; I148-C150 PolarHBondContact O-N 2.97Å
151	W	89.5	Confident	88.7	Confident	98 Å²	98	73.6 Å²	73.6	37%	0.371	39%	0.392	S	S	.	.	H	α-helix	trans	-74.6	-35.2	-174.5	-176.3	71.2	0	0	0	113.2	R18 P19 L147 I148 K153	R18-W151 HydrophobicContact CG-CD2 4.49Å; R18-W151 HydrophobicContact CG-CZ2 4.17Å; P19-W151 VanDerWaalsContact CD-CH2 3.44Å; P19-W151 HydrophobicContact CG-CE3 4.03Å; P19-W151 HydrophobicContact CG-CH2 4.41Å; P19-W151 HydrophobicContact CG-CZ3 3.69Å; L147-W151 WeakPolarHBondContact O-CB 3.15Å; L147-W151 PolarHBondContact O-N 2.83Å; I148-W151 PolarHBondContact O-N 2.85Å; I148-W151 VanDerWaalsContact O-N 3.08Å; W151-K153 PolarHBondContact O-N 2.98Å
152	I	90.3	Very high	88.3	Confident	11 Å²	11	80.1 Å²	80.1	6%	0.056	41%	0.413	C	S	.	.	S	Bend	trans	-57.5	129.4	177.2	-64	162.5	0	0	0	110	P19 L21 L29 R86 I148	P19-I152 HydrophobicContact CG-CG1 3.97Å; L21-I152 HydrophobicContact CB-CG2 4.12Å; L21-I152 HydrophobicContact CD1-CD1 4.37Å; L21-I152 HydrophobicContact CD1-CG2 4.01Å; L21-I152 HydrophobicContact CG-CG2 4Å; L29-I152 HydrophobicContact CD2-CD1 4.33Å; R86-I152 PolarHBondContact NH2-O 2.6Å; I148-I152 HydrophobicContact CG2-CD1 4Å; I148-I152 HydrophobicContact CG2-CG1 4.37Å; I148-I152 WeakPolarHBondContact O-CG1 3.33Å; I148-I152 PolarHBondContact O-N 3.36Å
153	K	87	Confident	87.9	Confident	130 Å²	130	81.3 Å²	81.3	57%	0.565	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.3	178.1	-170.8	175.6	-178.9	178.2	0	110	R18 P19 S20 L21 W151 K155	R18-K153 HydrophobicContact CB-CB 4.34Å; P19-K153 PolarHBondContact O-N 2.73Å; S20-K153 WeakPolarHBondContact CA-O 3.44Å; L21-K153 PolarHBondContact N-O 2.82Å; L21-K153 VanDerWaalsContact N-O 3.12Å; W151-K153 PolarHBondContact O-N 2.98Å; K153-K155 PolarHBondContact O-N 3.43Å
154	I	86.1	Confident	87.7	Confident	40 Å²	40	81 Å²	81	21%	0.205	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	121.9	174.5	-61.1	167.7	0	0	0	108.5	L21 L23 W26	L21-I154 WeakPolarHBondContact O-CA 3.47Å; L23-I154 HydrophobicContact CB-CG2 3.83Å; L23-I154 HydrophobicContact CD1-CD1 4.03Å; L23-I154 HydrophobicContact CD1-CG2 4.07Å; W26-I154 HydrophobicContact CD2-CD1 4.19Å; W26-I154 HydrophobicContact CE3-CD1 4.5Å; W26-I154 HydrophobicContact CG-CD1 4.37Å; W26-I154 HydrophobicContact CG-CG1 4.19Å
155	K	84.9	Confident	87.5	Confident	111 Å²	111	82.7 Å²	82.7	48%	0.483	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-67.4	132.9	175.9	-69.6	179	-179.9	171.2	0	109.8	S20 L21 K153	S20-K155 VanDerWaalsContact O-CE 3.29Å; S20-K155 WeakPolarHBondContact O-CE 3.3Å; S20-K155 WeakPolarHBondContact OG-CE 3.33Å; L21-K155 PolarHBondContact O-N 3.28Å; K153-K155 PolarHBondContact O-N 3.43Å
156	P	76.9	Confident	87.4	Confident	119 Å²	119	88.2 Å²	88.2	77%	0.773	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-61.2	141.2	173.3	26.5	-32.6	0	0	0	109.7
157	A	77.8	Confident	87.3	Confident	62 Å²	62	89.1 Å²	89.1	51%	0.512	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-66.9	139.2	179.5	0	0	0	0	0	111.1	S159	A157-S159 VanDerWaalsContact C-N 3.26Å; A157-S159 PolarHBondContact O-N 3.22Å
158	T	75.6	Confident	87.3	Confident	140 Å²	140	85.8 Å²	85.8	86%	0.859	44%	0.442	S	S	*	.	S	Bend	trans	-66	-28.2	176.5	51.3	0	0	0	0	112.7
159	S	84.5	Confident	87.4	Confident	44 Å²	44	84.3 Å²	84.3	31%	0.308	44%	0.441	S	S	.	.			trans	-145.6	131.9	173.1	167.1	0	0	0	0	110.3	A157 L161 R162 S163	A157-S159 VanDerWaalsContact C-N 3.26Å; A157-S159 PolarHBondContact O-N 3.22Å; S159-L161 PolarHBondContact O-N 2.94Å; S159-R162 PolarHBondContact O-N 3.29Å; S159-R162 PolarHBondContact OG-N 3.21Å; S159-S163 PolarHBondContact O-N 3.44Å
160	R	80.7	Confident	87.7	Confident	226 Å²	226	84.7 Å²	84.7	85%	0.853	44%	0.442	S	S	*	.	H	α-helix	trans	-60.7	-43	177.8	-71.6	-172.8	179.2	180	0.3	111.7	S163 V164	R160-S163 WeakPolarHBondContact O-CB 3.31Å; R160-S163 PolarHBondContact O-N 3Å; R160-V164 WeakPolarHBondContact O-CG2 3.37Å; R160-V164 PolarHBondContact O-N 3.41Å
161	L	86.1	Confident	87.9	Confident	121 Å²	121	83.8 Å²	83.8	63%	0.634	43%	0.434	S	S	*	.	H	α-helix	trans	-63	-47.5	178.5	-175.9	66.9	0	0	0	111.3	S159 S163 V164 L165	S159-L161 PolarHBondContact O-N 2.94Å; L161-S163 VanDerWaalsContact C-N 3.29Å; L161-S163 PolarHBondContact O-N 3.43Å; L161-V164 PolarHBondContact O-N 2.99Å; L161-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 WeakPolarHBondContact O-CG 3.3Å; L161-L165 PolarHBondContact O-N 3.44Å
162	R	88.1	Confident	88.3	Confident	159 Å²	159	84.1 Å²	84.1	60%	0.6	44%	0.442	S	S	*	.	H	α-helix	trans	-59.1	-41.2	175.9	-69.3	-173.5	179.8	177	-0.4	111.8	S159 L165 F166	S159-R162 PolarHBondContact O-N 3.29Å; S159-R162 PolarHBondContact OG-N 3.21Å; R162-L165 PolarHBondContact O-N 3.18Å; R162-F166 HydrophobicContact CB-CD2 4.32Å; R162-F166 HydrophobicContact CB-CE2 4.22Å; R162-F166 WeakPolarHBondContact O-CD2 3.4Å; R162-F166 PolarHBondContact O-N 3.22Å
163	S	87.4	Confident	88.7	Confident	26 Å²	26	87.3 Å²	87.3	18%	0.182	46%	0.462	C	S	.	.	H	α-helix	trans	-62.6	-42.1	177.4	-175.9	0	0	0	0	113.1	S159 R160 L161 R167	S159-S163 PolarHBondContact O-N 3.44Å; R160-S163 WeakPolarHBondContact O-CB 3.31Å; R160-S163 PolarHBondContact O-N 3Å; L161-S163 VanDerWaalsContact C-N 3.29Å; L161-S163 PolarHBondContact O-N 3.43Å; S163-R167 WeakPolarHBondContact O-CB 3.42Å; S163-R167 WeakPolarHBondContact O-CG 3.4Å; S163-R167 PolarHBondContact O-N 3.2Å; S163-R167 PolarHBondContact O-NE 3.46Å
164	V	90.7	Very high	89.2	Confident	69 Å²	69	81.2 Å²	81.2	42%	0.418	44%	0.436	S	S	.	.	H	α-helix	trans	-63.9	-46.1	174.1	173.2	0	0	0	0	110.6	F81 R160 L161 R167 G168	F81-V164 HydrophobicContact CE1-CG1 4.3Å; F81-V164 HydrophobicContact CE1-CG2 4.44Å; R160-V164 WeakPolarHBondContact O-CG2 3.37Å; R160-V164 PolarHBondContact O-N 3.41Å; L161-V164 PolarHBondContact O-N 2.99Å; V164-R167 VanDerWaalsContact CG2-NH2 3.32Å; V164-R167 PolarHBondContact O-N 2.86Å; V164-G168 PolarHBondContact O-N 3.23Å
165	L	92.1	Very high	89.7	Confident	110 Å²	110	82.2 Å²	82.2	58%	0.576	44%	0.444	S	S	*	.	H	α-helix	trans	-61.3	-46.2	178.8	-71.8	170.5	0	0	0	112.7	L161 R162 R167 G168 A169	L161-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 WeakPolarHBondContact O-CG 3.3Å; L161-L165 PolarHBondContact O-N 3.44Å; R162-L165 PolarHBondContact O-N 3.18Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.44Å; L165-G168 PolarHBondContact O-N 3.28Å; L165-A169 WeakPolarHBondContact O-CB 3.43Å; L165-A169 PolarHBondContact O-N 3.27Å
166	F	92.6	Very high	90.4	Very high	130 Å²	130	81.7 Å²	81.7	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-64.2	-35	177.8	-78.6	-60.7	0	0	0	112.7	R162 N170	R162-F166 HydrophobicContact CB-CD2 4.32Å; R162-F166 HydrophobicContact CB-CE2 4.22Å; R162-F166 WeakPolarHBondContact O-CD2 3.4Å; R162-F166 PolarHBondContact O-N 3.22Å; F166-N170 WeakPolarHBondContact O-CB 3.35Å; F166-N170 PolarHBondContact O-N 2.88Å
167	R	93.5	Very high	91.3	Very high	28 Å²	28	79 Å²	79	11%	0.106	43%	0.425	C	S	.	.	H	α-helix	trans	-71.4	-40.1	174.1	-73.3	179.1	-68.3	166.2	5	112.1	T77 S80 F81 S163 V164 L165 N170 I171	T77-R167 HydrophobicContact CG2-CB 3.71Å; T77-R167 HydrophobicContact CG2-CG 3.97Å; S80-R167 WeakPolarHBondContact OG-CD 3.33Å; S80-R167 PolarHBondContact OG-NH1 3.49Å; F81-R167 HydrophobicContact CE2-CB 4.3Å; F81-R167 HydrophobicContact CZ-CB 3.87Å; S163-R167 WeakPolarHBondContact O-CB 3.42Å; S163-R167 WeakPolarHBondContact O-CG 3.4Å; S163-R167 PolarHBondContact O-N 3.2Å; S163-R167 PolarHBondContact O-NE 3.46Å; V164-R167 VanDerWaalsContact CG2-NH2 3.32Å; V164-R167 PolarHBondContact O-N 2.86Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.44Å; R167-N170 WeakPolarHBondContact O-CB 3.45Å; R167-N170 PolarHBondContact O-N 3.22Å; R167-I171 WeakPolarHBondContact O-CG1 3.4Å; R167-I171 PolarHBondContact O-N 3.26Å
168	G	94	Very high	92.2	Very high	36 Å²	36	78.3 Å²	78.3	37%	0.371	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-44.2	172.5	0	0	0	0	0	111.9	V164 L165 I171 L172	V164-G168 PolarHBondContact O-N 3.23Å; L165-G168 PolarHBondContact O-N 3.28Å; G168-I171 PolarHBondContact O-N 3.36Å; G168-L172 WeakPolarHBondContact O-CB 3.36Å; G168-L172 PolarHBondContact O-N 3.14Å
169	A	95.4	Very high	93.2	Very high	48 Å²	48	76.7 Å²	76.7	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-40.7	174.1	0	0	0	0	0	112	L165 I171 L172 V173	L165-A169 WeakPolarHBondContact O-CB 3.43Å; L165-A169 PolarHBondContact O-N 3.27Å; A169-I171 PolarHBondContact O-N 3.22Å; A169-L172 PolarHBondContact O-N 2.91Å; A169-V173 WeakPolarHBondContact O-CB 3.36Å; A169-V173 VanDerWaalsContact O-CG2 3.29Å; A169-V173 WeakPolarHBondContact O-CG2 3.45Å; A169-V173 PolarHBondContact O-N 2.91Å
170	N	96.7	Very high	93.8	Very high	17 Å²	17	79.1 Å²	79.1	9%	0.091	41%	0.406	C	S	.	.	H	α-helix	trans	-58.2	-47.2	174.8	-172.4	48.5	0	0	0	112	L24 N73 T77 F166 R167 V173 S174	L24-N170 HydrophobicContact CD1-CB 3.6Å; L24-N170 VanDerWaalsContact CD1-CG 3.48Å; N73-N170 VanDerWaalsContact ND2-CG 3.3Å; N73-N170 PolarHBondContact ND2-ND2 3.33Å; N73-N170 PolarHBondContact ND2-OD1 2.95Å; N73-N170 PolarHBondContact OD1-ND2 3.47Å; T77-N170 PolarHBondContact OG1-ND2 2.99Å; F166-N170 WeakPolarHBondContact O-CB 3.35Å; F166-N170 PolarHBondContact O-N 2.88Å; R167-N170 WeakPolarHBondContact O-CB 3.45Å; R167-N170 PolarHBondContact O-N 3.22Å; N170-V173 PolarHBondContact O-N 2.98Å; N170-S174 PolarHBondContact O-N 3.15Å; N170-S174 PolarHBondContact O-OG 2.87Å
171	I	96.8	Very high	94.5	Very high	35 Å²	35	69.1 Å²	69.1	18%	0.179	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-47.9	176	-68.1	167.1	0	0	0	110.1	I74 T77 L78 F81 R167 G168 A169 V173 S174 V175	I74-I171 HydrophobicContact CG1-CG2 4.4Å; I74-I171 HydrophobicContact CG2-CG2 4.45Å; T77-I171 HydrophobicContact CG2-CD1 3.84Å; T77-I171 HydrophobicContact CG2-CG1 3.79Å; L78-I171 HydrophobicContact CD2-CD1 3.84Å; L78-I171 HydrophobicContact CG-CD1 4.19Å; F81-I171 HydrophobicContact CE2-CD1 4.26Å; R167-I171 WeakPolarHBondContact O-CG1 3.4Å; R167-I171 PolarHBondContact O-N 3.26Å; G168-I171 PolarHBondContact O-N 3.36Å; A169-I171 PolarHBondContact O-N 3.22Å; I171-V173 PolarHBondContact O-N 3.41Å; I171-S174 PolarHBondContact O-N 3.02Å; I171-V175 HydrophobicContact CG2-CG2 4.3Å; I171-V175 WeakPolarHBondContact O-CG2 3.32Å; I171-V175 PolarHBondContact O-N 2.82Å
172	L	97.4	Very high	94.9	Very high	104 Å²	104	65.4 Å²	65.4	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-60.9	-43.4	-179.1	-175.4	145.2	0	0	0	112.1	G168 A169 V175 L176	G168-L172 WeakPolarHBondContact O-CB 3.36Å; G168-L172 PolarHBondContact O-N 3.14Å; A169-L172 PolarHBondContact O-N 2.91Å; L172-V175 PolarHBondContact O-N 2.95Å; L172-L176 HydrophobicContact CD2-CD1 3.55Å; L172-L176 HydrophobicContact CD2-CG 4.21Å; L172-L176 HydrophobicContact CG-CD1 4.49Å; L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 WeakPolarHBondContact O-CG 3.21Å; L172-L176 PolarHBondContact O-N 2.77Å
173	V	97.7	Very high	95.2	Very high	78 Å²	78	62 Å²	62	47%	0.473	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-45.4	175.3	170.4	0	0	0	0	110.9	A169 N170 I171 V175 L176 L177	A169-V173 WeakPolarHBondContact O-CB 3.36Å; A169-V173 VanDerWaalsContact O-CG2 3.29Å; A169-V173 WeakPolarHBondContact O-CG2 3.45Å; A169-V173 PolarHBondContact O-N 2.91Å; N170-V173 PolarHBondContact O-N 2.98Å; I171-V173 PolarHBondContact O-N 3.41Å; V173-V175 VanDerWaalsContact C-N 3.35Å; V173-V175 PolarHBondContact O-N 3.08Å; V173-L176 PolarHBondContact O-N 2.78Å; V173-L177 HydrophobicContact CG1-CD1 4.24Å; V173-L177 WeakPolarHBondContact O-CG 3.48Å; V173-L177 PolarHBondContact O-N 2.8Å
174	S	97.8	Very high	95.5	Very high	3 Å²	3	66 Å²	66	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-39.7	176.2	-72.9	0	0	0	0	112.7	N73 N170 I171 L177 I178	N73-S174 PolarHBondContact ND2-OG 2.86Å; N170-S174 PolarHBondContact O-N 3.15Å; N170-S174 PolarHBondContact O-OG 2.87Å; I171-S174 PolarHBondContact O-N 3.02Å; S174-L177 PolarHBondContact O-N 3.49Å; S174-I178 VanDerWaalsContact O-CG1 3.32Å; S174-I178 WeakPolarHBondContact O-CG1 3.17Å; S174-I178 PolarHBondContact O-N 3.26Å; S174-I178 VanDerWaalsContact O-N 3.12Å
175	V	97.9	Very high	95.7	Very high	61 Å²	61	63.9 Å²	63.9	37%	0.37	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-44.2	174.9	171.2	0	0	0	0	111	I74 I171 L172 V173 L177 I178 L179	I74-V175 HydrophobicContact CD1-CG2 3.83Å; I171-V175 HydrophobicContact CG2-CG2 4.3Å; I171-V175 WeakPolarHBondContact O-CG2 3.32Å; I171-V175 PolarHBondContact O-N 2.82Å; L172-V175 PolarHBondContact O-N 2.95Å; V173-V175 VanDerWaalsContact C-N 3.35Å; V173-V175 PolarHBondContact O-N 3.08Å; V175-L177 VanDerWaalsContact C-N 3.32Å; V175-L177 PolarHBondContact O-N 2.81Å; V175-I178 PolarHBondContact O-N 2.83Å; V175-L179 HydrophobicContact CG1-CD1 3.97Å; V175-L179 HydrophobicContact CG1-CG 4.35Å; V175-L179 WeakPolarHBondContact O-CG 3.37Å; V175-L179 PolarHBondContact O-N 2.87Å
176	L	97.9	Very high	95.7	Very high	99 Å²	99	64.4 Å²	64.4	52%	0.518	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-38.2	176.8	-73.5	176.6	0	0	0	112.4	L172 V173 L179 L180	L172-L176 HydrophobicContact CD2-CD1 3.55Å; L172-L176 HydrophobicContact CD2-CG 4.21Å; L172-L176 HydrophobicContact CG-CD1 4.49Å; L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 WeakPolarHBondContact O-CG 3.21Å; L172-L176 PolarHBondContact O-N 2.77Å; V173-L176 PolarHBondContact O-N 2.78Å; L176-L179 PolarHBondContact O-N 2.82Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3Å; L176-L180 PolarHBondContact O-N 3.14Å
177	L	97.1	Very high	95.5	Very high	64 Å²	64	66.4 Å²	66.4	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-63.2	-43.6	174.7	-73.7	171.9	0	0	0	111.7	V66 V173 S174 V175 L180 V181	V66-L177 HydrophobicContact CG1-CD1 4.43Å; V173-L177 HydrophobicContact CG1-CD1 4.24Å; V173-L177 WeakPolarHBondContact O-CG 3.48Å; V173-L177 PolarHBondContact O-N 2.8Å; S174-L177 PolarHBondContact O-N 3.49Å; V175-L177 VanDerWaalsContact C-N 3.32Å; V175-L177 PolarHBondContact O-N 2.81Å; L177-L180 PolarHBondContact O-N 2.77Å; L177-V181 WeakPolarHBondContact O-CG2 3.36Å; L177-V181 PolarHBondContact O-N 3.17Å
178	I	96.5	Very high	95.4	Very high	47 Å²	47	67.1 Å²	67.1	24%	0.241	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-46.3	176.3	-65.7	165.9	0	0	0	110.5	V71 I74 S174 V175 L180 V181 A182	V71-I178 HydrophobicContact CG2-CD1 3.79Å; I74-I178 HydrophobicContact CD1-CD1 3.94Å; S174-I178 VanDerWaalsContact O-CG1 3.32Å; S174-I178 WeakPolarHBondContact O-CG1 3.17Å; S174-I178 PolarHBondContact O-N 3.26Å; S174-I178 VanDerWaalsContact O-N 3.12Å; V175-I178 PolarHBondContact O-N 2.83Å; I178-L180 VanDerWaalsContact C-N 3.33Å; I178-L180 PolarHBondContact O-N 3.29Å; I178-V181 PolarHBondContact O-N 3.28Å; I178-A182 WeakPolarHBondContact O-CB 3.36Å; I178-A182 PolarHBondContact O-N 2.87Å
179	L	96.9	Very high	95.3	Very high	105 Å²	105	67.2 Å²	67.2	55%	0.55	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-36.9	178.3	-70.3	175.1	0	0	0	112.5	V175 L176 A182 A183	V175-L179 HydrophobicContact CG1-CD1 3.97Å; V175-L179 HydrophobicContact CG1-CG 4.35Å; V175-L179 WeakPolarHBondContact O-CG 3.37Å; V175-L179 PolarHBondContact O-N 2.87Å; L176-L179 PolarHBondContact O-N 2.82Å; L179-A182 PolarHBondContact O-N 2.95Å; L179-A183 WeakPolarHBondContact O-CB 3.49Å; L179-A183 PolarHBondContact O-N 2.9Å
180	L	96.7	Very high	94.9	Very high	96 Å²	96	66.4 Å²	66.4	50%	0.503	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-47	174.9	179.4	65.3	0	0	0	111.3	L176 L177 I178 A182 A183 L184	L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3Å; L176-L180 PolarHBondContact O-N 3.14Å; L177-L180 PolarHBondContact O-N 2.77Å; I178-L180 VanDerWaalsContact C-N 3.33Å; I178-L180 PolarHBondContact O-N 3.29Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A183 PolarHBondContact O-N 2.86Å; L180-L184 HydrophobicContact CD1-CD1 4.03Å; L180-L184 HydrophobicContact CD1-CG 4.41Å; L180-L184 HydrophobicContact CG-CD1 4.16Å; L180-L184 WeakPolarHBondContact O-CG 3.09Å; L180-L184 PolarHBondContact O-N 3.27Å; L180-L184 VanDerWaalsContact O-N 3.1Å
181	V	96.3	Very high	94.5	Very high	16 Å²	16	67.6 Å²	67.6	10%	0.097	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-42.8	176.3	171.3	0	0	0	0	110.7	V67 L177 I178 A183 L184 F185 Y189	V67-V181 HydrophobicContact CG2-CB 3.95Å; V67-V181 HydrophobicContact CG2-CG1 3.63Å; V67-V181 HydrophobicContact CG2-CG2 4.12Å; L177-V181 WeakPolarHBondContact O-CG2 3.36Å; L177-V181 PolarHBondContact O-N 3.17Å; I178-V181 PolarHBondContact O-N 3.28Å; V181-A183 PolarHBondContact O-N 2.94Å; V181-L184 PolarHBondContact O-N 2.84Å; V181-F185 HydrophobicContact CG1-CD2 4.28Å; V181-F185 PolarHBondContact O-N 3.25Å; V181-Y189 HydrophobicContact CG1-CE2 3.88Å
182	A	93.1	Very high	94.2	Very high	43 Å²	43	66.6 Å²	66.6	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-45.9	175	0	0	0	0	0	111.4	I178 L179 L180 L184 Y186	I178-A182 WeakPolarHBondContact O-CB 3.36Å; I178-A182 PolarHBondContact O-N 2.87Å; L179-A182 PolarHBondContact O-N 2.95Å; L180-A182 VanDerWaalsContact C-N 3.34Å; A182-L184 VanDerWaalsContact C-N 3.26Å; A182-L184 PolarHBondContact O-N 3.17Å; A182-Y186 WeakPolarHBondContact O-CA 3.4Å; A182-Y186 WeakPolarHBondContact O-CB 3.25Å; A182-Y186 PolarHBondContact O-N 3Å
183	A	94.3	Very high	93.7	Very high	87 Å²	87	63.7 Å²	63.7	72%	0.719	35%	0.347	S	S	*	.	H	α-helix	trans	-61.4	-33.2	178.6	0	0	0	0	0	113.2	L179 L180 V181	L179-A183 WeakPolarHBondContact O-CB 3.49Å; L179-A183 PolarHBondContact O-N 2.9Å; L180-A183 PolarHBondContact O-N 2.86Å; V181-A183 PolarHBondContact O-N 2.94Å
184	L	94	Very high	93	Very high	109 Å²	109	64.7 Å²	64.7	57%	0.571	34%	0.342	S	S	*	.	H	α-helix	trans	-90.4	-37.4	-177	-64.7	175.9	0	0	0	113.9	L180 V181 A182	L180-L184 HydrophobicContact CD1-CD1 4.03Å; L180-L184 HydrophobicContact CD1-CG 4.41Å; L180-L184 HydrophobicContact CG-CD1 4.16Å; L180-L184 WeakPolarHBondContact O-CG 3.09Å; L180-L184 PolarHBondContact O-N 3.27Å; L180-L184 VanDerWaalsContact O-N 3.1Å; V181-L184 PolarHBondContact O-N 2.84Å; A182-L184 VanDerWaalsContact C-N 3.26Å; A182-L184 PolarHBondContact O-N 3.17Å
185	F	94.3	Very high	92.3	Very high	26 Å²	26	69.5 Å²	69.5	11%	0.114	37%	0.367	C	S	.	.	H	α-helix	trans	-130.2	12.8	-166.1	-56.2	-59.5	0	0	0	114.3	H56 L59 V60 V181 K187 D188 Y189	H56-F185 AromaticContact CE1-CD1 3.81Å; H56-F185 AromaticContact CE1-CE1 3.83Å; L59-F185 HydrophobicContact CB-CE1 4.23Å; L59-F185 HydrophobicContact CB-CE2 4.48Å; L59-F185 HydrophobicContact CB-CZ 3.71Å; V60-F185 HydrophobicContact CG2-CB 4.32Å; V60-F185 HydrophobicContact CG2-CD1 3.51Å; V60-F185 HydrophobicContact CG2-CE1 4Å; V60-F185 HydrophobicContact CG2-CG 4Å; V181-F185 HydrophobicContact CG1-CD2 4.28Å; V181-F185 PolarHBondContact O-N 3.25Å; F185-K187 VanDerWaalsContact C-N 3.27Å; F185-K187 PolarHBondContact O-N 2.82Å; F185-D188 PolarHBondContact O-N 2.99Å; F185-D188 VanDerWaalsContact O-N 3.1Å; F185-Y189 HydrophobicContact CB-CD2 4.06Å; F185-Y189 HydrophobicContact CB-CE2 4.18Å; F185-Y189 WeakPolarHBondContact O-CD2 3.4Å; F185-Y189 PolarHBondContact O-N 3.2Å
186	Y	92.1	Very high	91.7	Very high	120 Å²	120	69.5 Å²	69.5	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-52.6	-42.4	-179	166.9	-95.2	0	0	0	113.2	A182 D188 Y189 A190	A182-Y186 WeakPolarHBondContact O-CA 3.4Å; A182-Y186 WeakPolarHBondContact O-CB 3.25Å; A182-Y186 PolarHBondContact O-N 3Å; Y186-D188 VanDerWaalsContact C-N 3.33Å; Y186-D188 PolarHBondContact O-N 2.67Å; Y186-Y189 PolarHBondContact O-N 3.4Å; Y186-A190 HydrophobicContact CE1-CB 4.34Å; Y186-A190 HydrophobicContact CE2-CB 4.5Å; Y186-A190 WeakPolarHBondContact O-CB 3.45Å; Y186-A190 PolarHBondContact O-N 3.16Å
187	K	89.2	Confident	91.1	Very high	173 Å²	173	71.8 Å²	71.8	75%	0.752	37%	0.371	S	S	*	.	H	α-helix	trans	-61.6	-40.8	-179.9	-68.9	-175.8	179.1	-179.7	0	112.1	F185 S191	F185-K187 VanDerWaalsContact C-N 3.27Å; F185-K187 PolarHBondContact O-N 2.82Å; K187-S191 VanDerWaalsContact O-CB 3.25Å; K187-S191 WeakPolarHBondContact O-CB 3.32Å; K187-S191 PolarHBondContact O-N 2.89Å
188	D	91.4	Very high	90.4	Very high	43 Å²	43	70.9 Å²	70.9	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-68	-46.9	178.8	-55	-74.8	0	0	0	110.9	H56 V60 F185 Y186 S191 L192	H56-D188 IonicContact CD2-OD1 2.82Å; H56-D188 IonicContact CE1-OD2 3.67Å; H56-D188 VanDerWaalsContact NE2-CG 3.25Å; H56-D188 IonicContact NE2-OD1 3.84Å; H56-D188 PolarHBondContact NE2-OD1 2.69Å; H56-D188 IonicContact NE2-OD2 2.81Å; H56-D188 PolarHBondContact NE2-OD2 2.87Å; V60-D188 HydrophobicContact CG1-CB 3.97Å; V60-D188 HydrophobicContact CG2-CB 3.88Å; F185-D188 PolarHBondContact O-N 2.99Å; F185-D188 VanDerWaalsContact O-N 3.1Å; Y186-D188 VanDerWaalsContact C-N 3.33Å; Y186-D188 PolarHBondContact O-N 2.67Å; D188-S191 PolarHBondContact O-N 3.42Å; D188-L192 WeakPolarHBondContact O-CB 3.26Å; D188-L192 PolarHBondContact O-N 3.48Å
189	Y	91	Very high	90	Very high	38 Å²	38	69.1 Å²	69.1	15%	0.149	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-49.9	175	-88.1	-111.2	0	0	0	111.5	V60 S63 M64 V181 F185 Y186 S191 L192 F193	V60-Y189 HydrophobicContact CG1-CE2 4.39Å; S63-Y189 VanDerWaalsContact C-OH 3.29Å; S63-Y189 PolarHBondContact O-OH 2.99Å; S63-Y189 WeakPolarHBondContact OG-CE2 3.31Å; S63-Y189 PolarHBondContact OG-OH 3.28Å; S63-Y189 VanDerWaalsContact OG-OH 3.05Å; M64-Y189 VanDerWaalsContact CA-OH 3.23Å; M64-Y189 WeakPolarHBondContact CA-OH 3.37Å; M64-Y189 HydrophobicContact CG-CE1 4.22Å; M64-Y189 HydrophobicContact CG-CE2 4.46Å; M64-Y189 WeakPolarHBondContact CG-OH 3.37Å; M64-Y189 PolarHBondContact N-OH 3.13Å; V181-Y189 HydrophobicContact CG1-CE2 3.88Å; F185-Y189 HydrophobicContact CB-CD2 4.06Å; F185-Y189 HydrophobicContact CB-CE2 4.18Å; F185-Y189 WeakPolarHBondContact O-CD2 3.4Å; F185-Y189 PolarHBondContact O-N 3.2Å; Y186-Y189 PolarHBondContact O-N 3.4Å; Y189-S191 PolarHBondContact O-N 2.89Å; Y189-L192 PolarHBondContact O-N 3.02Å; Y189-F193 HydrophobicContact CD1-CD2 4.18Å; Y189-F193 AromaticContact CD1-CE2 3.61Å; Y189-F193 HydrophobicContact CD1-CE2 3.61Å; Y189-F193 HydrophobicContact CE1-CE2 4.13Å; Y189-F193 HydrophobicContact CG-CE2 4.35Å; Y189-F193 WeakPolarHBondContact O-CD2 3.36Å; Y189-F193 PolarHBondContact O-N 3.29Å
190	A	88.3	Confident	89.6	Confident	30 Å²	30	67.4 Å²	67.4	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-45.1	-179.9	0	0	0	0	0	111.1	Y186 R194	Y186-A190 HydrophobicContact CE1-CB 4.34Å; Y186-A190 HydrophobicContact CE2-CB 4.5Å; Y186-A190 WeakPolarHBondContact O-CB 3.45Å; Y186-A190 PolarHBondContact O-N 3.16Å; A190-R194 WeakPolarHBondContact O-CB 3.3Å; A190-R194 PolarHBondContact O-N 3.48Å
191	S	88	Confident	89.3	Confident	43 Å²	43	65.6 Å²	65.6	30%	0.301	34%	0.338	S	S	.	.	H	α-helix	trans	-64.9	-48.7	177.4	-168.3	0	0	0	0	112.2	K187 D188 Y189 R194 N195	K187-S191 VanDerWaalsContact O-CB 3.25Å; K187-S191 WeakPolarHBondContact O-CB 3.32Å; K187-S191 PolarHBondContact O-N 2.89Å; D188-S191 PolarHBondContact O-N 3.42Å; Y189-S191 PolarHBondContact O-N 2.89Å; S191-R194 PolarHBondContact O-N 3.13Å; S191-N195 WeakPolarHBondContact O-CB 3.38Å; S191-N195 PolarHBondContact O-N 3.48Å; S191-N195 PolarHBondContact O-ND2 2.87Å
192	L	89.9	Confident	89	Confident	13 Å²	13	65 Å²	65	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-53.1	-177.9	179.1	66.3	0	0	0	111.5	V46 A49 L50 M64 D188 Y189 N195 N196 L199	V46-L192 HydrophobicContact CG1-CD2 4.37Å; A49-L192 HydrophobicContact CB-CD1 3.85Å; L50-L192 HydrophobicContact CB-CD1 4.44Å; M64-L192 HydrophobicContact CE-CD2 3.34Å; D188-L192 WeakPolarHBondContact O-CB 3.26Å; D188-L192 PolarHBondContact O-N 3.48Å; Y189-L192 PolarHBondContact O-N 3.02Å; L192-N195 PolarHBondContact O-N 3.06Å; L192-N196 VanDerWaalsContact O-CB 3.32Å; L192-N196 WeakPolarHBondContact O-CB 3.24Å; L192-N196 PolarHBondContact O-N 3.24Å; L192-N196 PolarHBondContact O-ND2 3.39Å; L192-L199 HydrophobicContact CD1-CD1 3.94Å; L192-L199 HydrophobicContact CD2-CD1 4.4Å; L192-L199 HydrophobicContact CG-CD1 3.99Å
193	F	88.3	Confident	89.1	Confident	44 Å²	44	64.9 Å²	64.9	19%	0.193	33%	0.327	C	S	.	.	H	α-helix	trans	-76.4	-23.9	-177.9	-67.5	-61.5	0	0	0	113.2	F42 Y189 N196 K197 L199 V200	F42-F193 AromaticContact CE2-CE1 3.99Å; F42-F193 HydrophobicContact CE2-CE1 3.99Å; F42-F193 HydrophobicContact CE2-CZ 4.21Å; F42-F193 HydrophobicContact CZ-CE1 4.25Å; F42-F193 AromaticContact CZ-CZ 4Å; F42-F193 HydrophobicContact CZ-CZ 4Å; Y189-F193 HydrophobicContact CD1-CD2 4.18Å; Y189-F193 AromaticContact CD1-CE2 3.61Å; Y189-F193 HydrophobicContact CD1-CE2 3.61Å; Y189-F193 HydrophobicContact CE1-CE2 4.13Å; Y189-F193 HydrophobicContact CG-CE2 4.35Å; Y189-F193 WeakPolarHBondContact O-CD2 3.36Å; Y189-F193 PolarHBondContact O-N 3.29Å; F193-N196 CarbonylContact O-C 3.44Å; F193-K197 WeakPolarHBondContact O-CA 3.44Å; F193-K197 WeakPolarHBondContact O-CG 3.12Å; F193-K197 PolarHBondContact O-N 3.48Å; F193-K197 VanDerWaalsContact O-N 3.13Å; F193-L199 HydrophobicContact CD1-CB 4.05Å; F193-L199 HydrophobicContact CE1-CB 3.94Å; F193-V200 HydrophobicContact CB-CG2 4.25Å; F193-V200 HydrophobicContact CD1-CG2 3.37Å; F193-V200 HydrophobicContact CE1-CG2 3.89Å; F193-V200 HydrophobicContact CG-CG2 3.96Å
194	R	82.8	Confident	89.1	Confident	99 Å²	99	60.8 Å²	60.8	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-70	-42	171	180	174.7	177.2	153.3	1	111.7	A190 S191	A190-R194 WeakPolarHBondContact O-CB 3.3Å; A190-R194 PolarHBondContact O-N 3.48Å; S191-R194 PolarHBondContact O-N 3.13Å
195	N	81.9	Confident	89.1	Confident	103 Å²	103	56 Å²	56	55%	0.551	27%	0.269	S	S	*	.	H	α-helix	trans	-78.5	-26.3	178.7	-64.6	-16.3	0	0	0	111.9	S191 L192	S191-N195 WeakPolarHBondContact O-CB 3.38Å; S191-N195 PolarHBondContact O-N 3.48Å; S191-N195 PolarHBondContact O-ND2 2.87Å; L192-N195 PolarHBondContact O-N 3.06Å
196	N	86.4	Confident	89.1	Confident	62 Å²	62	56.9 Å²	56.9	33%	0.332	28%	0.278	S	S	.	.			trans	-129.4	63.6	-178.6	-53.2	-90.8	0	0	0	110.6	L192 F193 E198 L199	L192-N196 VanDerWaalsContact O-CB 3.32Å; L192-N196 WeakPolarHBondContact O-CB 3.24Å; L192-N196 PolarHBondContact O-N 3.24Å; L192-N196 PolarHBondContact O-ND2 3.39Å; F193-N196 CarbonylContact O-C 3.44Å; N196-E198 PolarHBondContact O-N 3.25Å; N196-E198 VanDerWaalsContact O-N 3.08Å; N196-L199 HydrophobicContact CB-CB 4.45Å; N196-L199 HydrophobicContact CB-CD1 3.49Å; N196-L199 VanDerWaalsContact CB-CD1 3.49Å; N196-L199 HydrophobicContact CB-CG 3.65Å; N196-L199 WeakPolarHBondContact O-CB 3.44Å; N196-L199 PolarHBondContact O-N 3.11Å
197	K	83.9	Confident	89.2	Confident	147 Å²	147	51.4 Å²	51.4	64%	0.639	26%	0.257	S	S	*	.	H	α-helix	trans	-54.7	-30	-178.7	-67.3	-179.5	-179.2	176.5	0	113	F193 L199 V200	F193-K197 WeakPolarHBondContact O-CA 3.44Å; F193-K197 WeakPolarHBondContact O-CG 3.12Å; F193-K197 PolarHBondContact O-N 3.48Å; F193-K197 VanDerWaalsContact O-N 3.13Å; K197-L199 VanDerWaalsContact C-N 3.29Å; K197-L199 PolarHBondContact O-N 2.94Å; K197-V200 PolarHBondContact O-N 3.34Å
198	E	82.5	Confident	89.5	Confident	44 Å²	44	44 Å²	44	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-68.9	-23.5	179.8	-56.5	-55.5	130.9	0	0	113.1	N196 V200 K201 P481 I484	N196-E198 PolarHBondContact O-N 3.25Å; N196-E198 VanDerWaalsContact O-N 3.08Å; E198-V200 PolarHBondContact O-N 3.38Å; E198-K201 WeakPolarHBondContact O-CA 3.35Å; E198-K201 WeakPolarHBondContact O-CB 3.35Å; E198-K201 PolarHBondContact O-N 2.68Å; E198-K201 WeakPolarHBondContact OE1-CE 3.18Å; E198-K201 IonicContact OE1-NZ 3.53Å; E198-K201 PolarHBondContact OE1-NZ 2.6Å; E198-K201 VanDerWaalsContact OE2-CD 3.24Å; E198-K201 WeakPolarHBondContact OE2-CD 3.21Å; E198-K201 WeakPolarHBondContact OE2-CE 3.33Å; E198-K201 IonicContact OE2-NZ 2.62Å; E198-K201 PolarHBondContact OE2-NZ 2.81Å; E198-P481 WeakPolarHBondContact OE2-CG 3.4Å; E198-I484 HydrophobicContact CG-CD1 4.11Å; E198-I484 HydrophobicContact CG-CG2 4.2Å
199	L	88.7	Confident	89.7	Confident	11 Å²	11	46.1 Å²	46.1	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-38	175.8	-73.2	176.1	0	0	0	111.5	F42 Q45 V46 A49 L192 F193 N196 K197 K201 S202	F42-L199 WeakPolarHBondContact CD2-O 3.25Å; Q45-L199 HydrophobicContact CB-CD2 3.56Å; V46-L199 HydrophobicContact CG2-CD1 4.41Å; V46-L199 HydrophobicContact CG2-CD2 4.46Å; A49-L199 HydrophobicContact CB-CD1 4.13Å; L192-L199 HydrophobicContact CD1-CD1 3.94Å; L192-L199 HydrophobicContact CD2-CD1 4.4Å; L192-L199 HydrophobicContact CG-CD1 3.99Å; F193-L199 HydrophobicContact CD1-CB 4.05Å; F193-L199 HydrophobicContact CE1-CB 3.94Å; N196-L199 HydrophobicContact CB-CB 4.45Å; N196-L199 HydrophobicContact CB-CD1 3.49Å; N196-L199 VanDerWaalsContact CB-CD1 3.49Å; N196-L199 HydrophobicContact CB-CG 3.65Å; N196-L199 WeakPolarHBondContact O-CB 3.44Å; N196-L199 PolarHBondContact O-N 3.11Å; K197-L199 VanDerWaalsContact C-N 3.29Å; K197-L199 PolarHBondContact O-N 2.94Å; L199-K201 PolarHBondContact O-N 3.02Å; L199-S202 PolarHBondContact O-N 3.11Å; L199-S202 VanDerWaalsContact O-N 3.07Å; L199-S202 PolarHBondContact O-OG 3.38Å
200	V	89	Confident	89.8	Confident	68 Å²	68	48.9 Å²	48.9	41%	0.412	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-31.4	178.3	-176.5	0	0	0	0	111.3	F193 K197 E198 S202 L203	F193-V200 HydrophobicContact CB-CG2 4.25Å; F193-V200 HydrophobicContact CD1-CG2 3.37Å; F193-V200 HydrophobicContact CE1-CG2 3.89Å; F193-V200 HydrophobicContact CG-CG2 3.96Å; K197-V200 PolarHBondContact O-N 3.34Å; E198-V200 PolarHBondContact O-N 3.38Å; V200-S202 PolarHBondContact O-N 3.07Å; V200-L203 WeakPolarHBondContact O-CB 3.26Å; V200-L203 PolarHBondContact O-N 3.23Å
201	K	89.7	Confident	90.1	Very high	58 Å²	58	47.8 Å²	47.8	25%	0.252	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.1	177.7	-54.9	-169.5	-163.7	156.7	0	113.4	V109 D111 E198 L199 N207	V109-K201 HydrophobicContact CG1-CB 3.56Å; V109-K201 HydrophobicContact CG1-CD 3.72Å; V109-K201 HydrophobicContact CG1-CG 4.29Å; D111-K201 HydrophobicContact CB-CD 3.78Å; E198-K201 WeakPolarHBondContact O-CA 3.35Å; E198-K201 WeakPolarHBondContact O-CB 3.35Å; E198-K201 PolarHBondContact O-N 2.68Å; E198-K201 WeakPolarHBondContact OE1-CE 3.18Å; E198-K201 IonicContact OE1-NZ 3.53Å; E198-K201 PolarHBondContact OE1-NZ 2.6Å; E198-K201 VanDerWaalsContact OE2-CD 3.24Å; E198-K201 WeakPolarHBondContact OE2-CD 3.21Å; E198-K201 WeakPolarHBondContact OE2-CE 3.33Å; E198-K201 IonicContact OE2-NZ 2.62Å; E198-K201 PolarHBondContact OE2-NZ 2.81Å; L199-K201 PolarHBondContact O-N 3.02Å; K201-N207 WeakPolarHBondContact O-CB 3.5Å; K201-N207 PolarHBondContact O-ND2 3.2Å; K201-N207 VanDerWaalsContact O-ND2 3.09Å
202	S	91	Very high	90.4	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.028	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-11.4	169.3	73.7	0	0	0	0	113.5	F42 Q45 L199 V200 S204	F42-S202 WeakPolarHBondContact CD2-OG 3.34Å; Q45-S202 PolarHBondContact OE1-OG 3.4Å; L199-S202 PolarHBondContact O-N 3.11Å; L199-S202 VanDerWaalsContact O-N 3.07Å; L199-S202 PolarHBondContact O-OG 3.38Å; V200-S202 PolarHBondContact O-N 3.07Å; S202-S204 PolarHBondContact O-N 2.79Å
203	L	94	Very high	90.6	Very high	40 Å²	40	55.6 Å²	55.6	21%	0.209	28%	0.279	C	S	.	.	S	Bend	trans	-79	111.7	-179.1	-173.2	72.7	0	0	0	111.2	N39 F42 A68 V200 S206 N207	N39-L203 WeakPolarHBondContact OD1-CD1 3.17Å; F42-L203 HydrophobicContact CD1-CD1 3.79Å; F42-L203 HydrophobicContact CD2-CB 4Å; F42-L203 HydrophobicContact CD2-CD1 4.11Å; F42-L203 HydrophobicContact CE1-CD1 3.97Å; F42-L203 HydrophobicContact CE2-CB 4.31Å; F42-L203 HydrophobicContact CE2-CD1 4.27Å; F42-L203 HydrophobicContact CG-CB 4.43Å; F42-L203 HydrophobicContact CG-CD1 3.88Å; F42-L203 HydrophobicContact CZ-CD1 4.21Å; A68-L203 HydrophobicContact CB-CD1 4.49Å; V200-L203 WeakPolarHBondContact O-CB 3.26Å; V200-L203 PolarHBondContact O-N 3.23Å; L203-S206 PolarHBondContact O-N 3.4Å; L203-S206 PolarHBondContact O-OG 3.35Å; L203-N207 WeakPolarHBondContact O-CB 3.24Å; L203-N207 PolarHBondContact O-N 3.33Å; L203-N207 PolarHBondContact O-OD1 2.71Å
204	S	94.9	Very high	90.6	Very high	2 Å²	2	55 Å²	55	1%	0.014	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	145.2	-177.8	-60.4	0	0	0	0	112.8	N39 S202 N207	N39-S204 PolarHBondContact ND2-O 2.92Å; N39-S204 PolarHBondContact OD1-N 3.2Å; N39-S204 PolarHBondContact OD1-O 3.5Å; S202-S204 PolarHBondContact O-N 2.79Å; S204-N207 WeakPolarHBondContact CA-OD1 3.18Å; S204-N207 PolarHBondContact OG-ND2 3.12Å; S204-N207 PolarHBondContact OG-OD1 3.21Å
205	P	94.3	Very high	90.9	Very high	7 Å²	7	53.2 Å²	53.2	5%	0.045	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.7	6.8	-1	37.2	-36	0	0	0	113.2	F92 V95 N207 S208 I209	F92-P205 HydrophobicContact CB-CG 4.07Å; F92-P205 HydrophobicContact CD1-CB 4.2Å; F92-P205 HydrophobicContact CD1-CG 3.76Å; F92-P205 HydrophobicContact CD2-CG 3.83Å; F92-P205 HydrophobicContact CE1-CG 4.06Å; F92-P205 HydrophobicContact CE2-CG 4.12Å; F92-P205 HydrophobicContact CG-CB 4.36Å; F92-P205 HydrophobicContact CG-CG 3.63Å; F92-P205 HydrophobicContact CZ-CG 4.22Å; V95-P205 HydrophobicContact CG1-CB 4.39Å; P205-N207 VanDerWaalsContact C-N 3.27Å; P205-N207 PolarHBondContact O-N 3.1Å; P205-S208 PolarHBondContact O-N 3.04Å; P205-I209 HydrophobicContact CB-CD1 4.32Å; P205-I209 HydrophobicContact CG-CD1 4.21Å; P205-I209 VanDerWaalsContact O-CG1 3.3Å; P205-I209 WeakPolarHBondContact O-CG1 3.41Å; P205-I209 PolarHBondContact O-N 3.1Å; P205-I209 VanDerWaalsContact O-N 3.12Å
206	S	93.7	Very high	91.2	Very high	45 Å²	45	53.3 Å²	53.3	32%	0.315	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-36.3	-175.9	39.7	0	0	0	0	112.9	L203 I209 V210	L203-S206 PolarHBondContact O-N 3.4Å; L203-S206 PolarHBondContact O-OG 3.35Å; S206-I209 PolarHBondContact O-N 2.98Å; S206-V210 WeakPolarHBondContact O-CB 3.44Å; S206-V210 VanDerWaalsContact O-CG2 3.3Å; S206-V210 WeakPolarHBondContact O-CG2 3.46Å; S206-V210 PolarHBondContact O-N 2.81Å
207	N	94.5	Very high	91.2	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.032	27%	0.265	C	S	.	.	H	α-helix	trans	-55.9	-55.3	175.4	57.3	-6	0	0	0	112.3	I110 K201 L203 S204 P205 I209 V210 A211	I110-N207 HydrophobicContact CB-CB 4.2Å; K201-N207 WeakPolarHBondContact O-CB 3.5Å; K201-N207 PolarHBondContact O-ND2 3.2Å; K201-N207 VanDerWaalsContact O-ND2 3.09Å; L203-N207 WeakPolarHBondContact O-CB 3.24Å; L203-N207 PolarHBondContact O-N 3.33Å; L203-N207 PolarHBondContact O-OD1 2.71Å; S204-N207 WeakPolarHBondContact CA-OD1 3.18Å; S204-N207 PolarHBondContact OG-ND2 3.12Å; S204-N207 PolarHBondContact OG-OD1 3.21Å; P205-N207 VanDerWaalsContact C-N 3.27Å; P205-N207 PolarHBondContact O-N 3.1Å; N207-I209 VanDerWaalsContact C-N 3.32Å; N207-I209 PolarHBondContact O-N 3.46Å; N207-V210 PolarHBondContact O-N 2.9Å; N207-A211 WeakPolarHBondContact O-CB 3.22Å; N207-A211 PolarHBondContact O-N 3.27Å
208	S	95.4	Very high	90.9	Very high	18 Å²	18	48.1 Å²	48.1	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-40.3	178.5	-53	0	0	0	0	111.4	V95 P205 S212	V95-S208 VanDerWaalsContact CG1-CB 3.42Å; V95-S208 VanDerWaalsContact CG1-OG 3.31Å; V95-S208 WeakPolarHBondContact CG1-OG 3.33Å; P205-S208 PolarHBondContact O-N 3.04Å; S208-S212 VanDerWaalsContact O-CB 3.23Å; S208-S212 WeakPolarHBondContact O-CB 3.23Å; S208-S212 PolarHBondContact O-N 3.3Å; S208-S212 PolarHBondContact O-OG 3.37Å
209	I	94.9	Very high	90.6	Very high	87 Å²	87	49.7 Å²	49.7	45%	0.446	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-50.2	178.9	-64.6	165	0	0	0	111.1	F92 P205 S206 N207 W213	F92-I209 HydrophobicContact CE1-CD1 3.76Å; F92-I209 HydrophobicContact CZ-CD1 4.06Å; P205-I209 HydrophobicContact CB-CD1 4.32Å; P205-I209 HydrophobicContact CG-CD1 4.21Å; P205-I209 VanDerWaalsContact O-CG1 3.3Å; P205-I209 WeakPolarHBondContact O-CG1 3.41Å; P205-I209 PolarHBondContact O-N 3.1Å; P205-I209 VanDerWaalsContact O-N 3.12Å; S206-I209 PolarHBondContact O-N 2.98Å; N207-I209 VanDerWaalsContact C-N 3.32Å; N207-I209 PolarHBondContact O-N 3.46Å; I209-W213 VanDerWaalsContact O-CB 3.26Å; I209-W213 WeakPolarHBondContact O-CB 3.47Å; I209-W213 PolarHBondContact O-N 3.22Å
210	V	94.4	Very high	89.7	Confident	96 Å²	96	56.6 Å²	56.6	58%	0.582	28%	0.28	S	S	*	.	H	α-helix	trans	-67.7	-41.6	-178.8	172.1	0	0	0	0	110.7	S206 N207 W213 S214	S206-V210 WeakPolarHBondContact O-CB 3.44Å; S206-V210 VanDerWaalsContact O-CG2 3.3Å; S206-V210 WeakPolarHBondContact O-CG2 3.46Å; S206-V210 PolarHBondContact O-N 2.81Å; N207-V210 PolarHBondContact O-N 2.9Å; V210-W213 PolarHBondContact O-N 3.46Å; V210-S214 VanDerWaalsContact O-CB 3.25Å; V210-S214 WeakPolarHBondContact O-CB 3.46Å; V210-S214 PolarHBondContact O-N 3.36Å
211	A	93.7	Very high	88.5	Confident	6 Å²	6	57.4 Å²	57.4	5%	0.05	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-47.2	177.6	0	0	0	0	0	111.7	I110 I115 N207 S214 W215	I110-A211 HydrophobicContact CG2-CB 4.07Å; I115-A211 HydrophobicContact CD1-CB 4.24Å; I115-A211 HydrophobicContact CG1-CB 3.59Å; N207-A211 WeakPolarHBondContact O-CB 3.22Å; N207-A211 PolarHBondContact O-N 3.27Å; A211-S214 WeakPolarHBondContact O-CB 3.5Å; A211-S214 PolarHBondContact O-N 3.45Å; A211-W215 WeakPolarHBondContact O-CB 3.35Å; A211-W215 PolarHBondContact O-N 3Å
212	S	94.9	Very high	87.2	Confident	51 Å²	51	55.9 Å²	55.9	36%	0.357	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-38.1	176.8	-62.3	0	0	0	0	112.5	S208 Y216	S208-S212 VanDerWaalsContact O-CB 3.23Å; S208-S212 WeakPolarHBondContact O-CB 3.23Å; S208-S212 PolarHBondContact O-N 3.3Å; S208-S212 PolarHBondContact O-OG 3.37Å; S212-Y216 VanDerWaalsContact O-CB 3.28Å; S212-Y216 WeakPolarHBondContact O-CB 3.4Å; S212-Y216 PolarHBondContact O-N 2.89Å
213	W	93.5	Very high	86.1	Confident	169 Å²	169	63.1 Å²	63.1	64%	0.64	32%	0.318	S	S	*	.	H	α-helix	trans	-65.2	-43.4	173.6	-179.7	-96.1	0	0	0	111.6	I209 V210 Y216 S217	I209-W213 VanDerWaalsContact O-CB 3.26Å; I209-W213 WeakPolarHBondContact O-CB 3.47Å; I209-W213 PolarHBondContact O-N 3.22Å; V210-W213 PolarHBondContact O-N 3.46Å; W213-Y216 PolarHBondContact O-N 2.86Å; W213-S217 VanDerWaalsContact O-CB 3.3Å; W213-S217 WeakPolarHBondContact O-CB 3.49Å; W213-S217 PolarHBondContact O-N 3.22Å; W213-S217 PolarHBondContact O-OG 3.26Å; W213-S217 VanDerWaalsContact O-OG 3.11Å
214	S	89.2	Confident	85.1	Confident	32 Å²	32	65.1 Å²	65.1	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-51.6	175.6	-172.4	0	0	0	0	110.2	V210 A211 Y216 S217 H218	V210-S214 VanDerWaalsContact O-CB 3.25Å; V210-S214 WeakPolarHBondContact O-CB 3.46Å; V210-S214 PolarHBondContact O-N 3.36Å; A211-S214 WeakPolarHBondContact O-CB 3.5Å; A211-S214 PolarHBondContact O-N 3.45Å; S214-Y216 PolarHBondContact O-N 2.95Å; S214-S217 PolarHBondContact O-N 3.09Å; S214-S217 PolarHBondContact O-OG 3.35Å; S214-H218 PolarHBondContact O-N 2.76Å; S214-H218 PolarHBondContact O-ND1 2.87Å
215	W	88.6	Confident	84.5	Confident	61 Å²	61	69.9 Å²	69.9	23%	0.231	36%	0.36	C	S	.	.	H	α-helix	trans	-56.2	-51.3	176.5	177.4	86.6	0	0	0	111.7	R112 I115 I119 A211 S217 H218 Q219	R112-W215 HydrophobicContact CG-CB 4.06Å; I115-W215 HydrophobicContact CB-CB 4.2Å; I115-W215 HydrophobicContact CB-CG 4.4Å; I115-W215 HydrophobicContact CG2-CB 3.81Å; I115-W215 HydrophobicContact CG2-CD2 4.15Å; I115-W215 HydrophobicContact CG2-CG 3.79Å; I119-W215 HydrophobicContact CD1-CD2 3.68Å; I119-W215 VanDerWaalsContact CD1-CE2 3.47Å; I119-W215 HydrophobicContact CD1-CE3 3.72Å; I119-W215 HydrophobicContact CD1-CH2 3.46Å; I119-W215 VanDerWaalsContact CD1-CH2 3.46Å; I119-W215 HydrophobicContact CD1-CZ2 3.39Å; I119-W215 HydrophobicContact CD1-CZ3 3.62Å; I119-W215 HydrophobicContact CG2-CZ2 4.17Å; A211-W215 WeakPolarHBondContact O-CB 3.35Å; A211-W215 PolarHBondContact O-N 3Å; W215-S217 VanDerWaalsContact C-N 3.34Å; W215-S217 PolarHBondContact O-N 3.5Å; W215-H218 PolarHBondContact O-N 3.22Å; W215-Q219 HydrophobicContact CH2-CG 4.4Å; W215-Q219 HydrophobicContact CZ2-CG 4.33Å; W215-Q219 PolarHBondContact O-N 3.48Å
216	Y	88.5	Confident	84.2	Confident	105 Å²	105	73 Å²	73	41%	0.412	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-39	-179.8	176.8	-106.5	0	0	0	113	S212 W213 S214 Q219 R220	S212-Y216 VanDerWaalsContact O-CB 3.28Å; S212-Y216 WeakPolarHBondContact O-CB 3.4Å; S212-Y216 PolarHBondContact O-N 2.89Å; W213-Y216 PolarHBondContact O-N 2.86Å; S214-Y216 PolarHBondContact O-N 2.95Å; Y216-Q219 PolarHBondContact O-N 3.02Å; Y216-R220 HydrophobicContact CE1-CG 4.43Å; Y216-R220 VanDerWaalsContact CE1-NH2 3.28Å; Y216-R220 VanDerWaalsContact CZ-NE 3.32Å; Y216-R220 PolarHBondContact O-N 2.83Å; Y216-R220 VanDerWaalsContact O-N 3.08Å; Y216-R220 PolarHBondContact OH-NE 3.02Å; Y216-R220 PolarHBondContact OH-NH2 3.21Å
217	S	85.1	Confident	84.1	Confident	41 Å²	41	73.9 Å²	73.9	29%	0.287	38%	0.379	S	S	.	.	H	α-helix	trans	-66.6	-36.1	177.4	66.4	0	0	0	0	112.8	W213 S214 W215	W213-S217 VanDerWaalsContact O-CB 3.3Å; W213-S217 WeakPolarHBondContact O-CB 3.49Å; W213-S217 PolarHBondContact O-N 3.22Å; W213-S217 PolarHBondContact O-OG 3.26Å; W213-S217 VanDerWaalsContact O-OG 3.11Å; S214-S217 PolarHBondContact O-N 3.09Å; S214-S217 PolarHBondContact O-OG 3.35Å; W215-S217 VanDerWaalsContact C-N 3.34Å; W215-S217 PolarHBondContact O-N 3.5Å
218	H	78.6	Confident	84	Confident	59 Å²	59	81.1 Å²	81.1	27%	0.273	41%	0.406	S	S	.	.	H	α-helix	trans	-73.4	-39.2	174.6	-71.3	61.5	0	0	0	110.5	R112 S214 W215 R220 L221 E311	R112-H218 PolarHBondContact NH1-CD2 2.85Å; R112-H218 PolarHBondContact NH1-NE2 3.37Å; S214-H218 PolarHBondContact O-N 2.76Å; S214-H218 PolarHBondContact O-ND1 2.87Å; W215-H218 PolarHBondContact O-N 3.22Å; H218-R220 PolarHBondContact O-N 2.76Å; H218-L221 WeakPolarHBondContact O-CB 3.42Å; H218-L221 PolarHBondContact O-N 3.35Å; H218-E311 WeakPolarHBondContact CA-OE1 3.38Å; H218-E311 HydrophobicContact CB-CG 4.49Å; H218-E311 VanDerWaalsContact CB-OE1 3.23Å; H218-E311 WeakPolarHBondContact CB-OE1 3.34Å; H218-E311 IonicContact CD2-OE1 2.63Å; H218-E311 PolarHBondContact CD2-OE1 3.3Å; H218-E311 IonicContact CG-OE1 2.96Å; H218-E311 VanDerWaalsContact CG-OE1 3.23Å
219	Q	76.1	Confident	83.9	Confident	77 Å²	77	80.4 Å²	80.4	36%	0.36	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-23	175.4	-159.5	66.5	40.1	0	0	113.2	W215 Y216 L221 A222	W215-Q219 HydrophobicContact CH2-CG 4.4Å; W215-Q219 HydrophobicContact CZ2-CG 4.33Å; W215-Q219 PolarHBondContact O-N 3.48Å; Y216-Q219 PolarHBondContact O-N 3.02Å; Q219-L221 PolarHBondContact O-N 2.61Å; Q219-A222 HydrophobicContact CG-CB 4.3Å; Q219-A222 WeakPolarHBondContact O-CB 3.43Å; Q219-A222 PolarHBondContact O-N 2.92Å
220	R	69.4	Low	83.7	Confident	156 Å²	156	76.3 Å²	76.3	59%	0.589	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.1	171.6	-78.4	-177.1	176	-163.2	-1.8	112.9	Y216 H218 A222	Y216-R220 HydrophobicContact CE1-CG 4.43Å; Y216-R220 VanDerWaalsContact CE1-NH2 3.28Å; Y216-R220 VanDerWaalsContact CZ-NE 3.32Å; Y216-R220 PolarHBondContact O-N 2.83Å; Y216-R220 VanDerWaalsContact O-N 3.08Å; Y216-R220 PolarHBondContact OH-NE 3.02Å; Y216-R220 PolarHBondContact OH-NH2 3.21Å; H218-R220 PolarHBondContact O-N 2.76Å; R220-A222 VanDerWaalsContact C-N 3.25Å
221	L	63.6	Low	83.6	Confident	86 Å²	86	77.9 Å²	77.9	45%	0.45	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-4	172	-65.9	156.8	0	0	0	111.9	H218 Q219 N223 L224 E311	H218-L221 WeakPolarHBondContact O-CB 3.42Å; H218-L221 PolarHBondContact O-N 3.35Å; Q219-L221 PolarHBondContact O-N 2.61Å; L221-N223 PolarHBondContact O-N 3.14Å; L221-L224 HydrophobicContact CB-CD1 4.42Å; L221-L224 VanDerWaalsContact O-CD1 3.31Å; L221-L224 WeakPolarHBondContact O-CD1 3.38Å; L221-L224 WeakPolarHBondContact O-CG 3.3Å; L221-L224 PolarHBondContact O-N 3.14Å; L221-E311 WeakPolarHBondContact CD1-OE1 3.46Å; L221-E311 VanDerWaalsContact CD1-OE2 3.3Å; L221-E311 WeakPolarHBondContact CD1-OE2 3.34Å
222	A	63.7	Low	83.4	Confident	25 Å²	25	80.8 Å²	80.8	21%	0.207	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	6.6	178.9	0	0	0	0	0	115.5	Q219 R220 L224 H315	Q219-A222 HydrophobicContact CG-CB 4.3Å; Q219-A222 WeakPolarHBondContact O-CB 3.43Å; Q219-A222 PolarHBondContact O-N 2.92Å; R220-A222 VanDerWaalsContact C-N 3.25Å; A222-L224 VanDerWaalsContact C-N 3.29Å; A222-H315 VanDerWaalsContact CA-CE1 3.45Å; A222-H315 WeakPolarHBondContact CA-CE1 3.15Å; A222-H315 WeakPolarHBondContact CA-NE2 3.49Å; A222-H315 PolarHBondContact O-NE2 3.26Å
223	N	67.8	Low	83.2	Confident	157 Å²	157	79 Å²	79	84%	0.84	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	18.3	168.7	-70.9	-27.8	0	0	0	111.8	L221	L221-N223 PolarHBondContact O-N 3.14Å
224	L	72.1	Confident	82.9	Confident	81 Å²	81	75.6 Å²	75.6	42%	0.424	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-65.4	141.8	173.8	-76.3	163.7	0	0	0	110	L221 A222 H315	L221-L224 HydrophobicContact CB-CD1 4.42Å; L221-L224 VanDerWaalsContact O-CD1 3.31Å; L221-L224 WeakPolarHBondContact O-CD1 3.38Å; L221-L224 WeakPolarHBondContact O-CG 3.3Å; L221-L224 PolarHBondContact O-N 3.14Å; A222-L224 VanDerWaalsContact C-N 3.29Å; L224-H315 HydrophobicContact CB-CB 4.33Å; L224-H315 PolarHBondContact O-CD2 3.36Å
225	P	83	Confident	82.6	Confident	102 Å²	102	75.8 Å²	75.8	66%	0.662	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-64.3	142.7	173.1	28.4	-33.5	0	0	0	109.9	V227	P225-V227 PolarHBondContact O-N 3.16Å; P225-V227 VanDerWaalsContact O-N 3.16Å
226	L	88	Confident	82.1	Confident	74 Å²	74	74.2 Å²	74.2	39%	0.387	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-58.4	118.3	173.8	179.9	71.3	0	0	0	109.8	R228 H315 E317	L226-R228 PolarHBondContact O-N 3.2Å; L226-H315 CarbonylContact C-O 3.59Å; L226-H315 WeakPolarHBondContact CA-O 3.24Å; L226-E317 HydrophobicContact CD1-CG 4.41Å; L226-E317 HydrophobicContact CD2-CG 4.33Å; L226-E317 HydrophobicContact CG-CG 4.42Å
227	V	90.8	Very high	81	Confident	63 Å²	63	72.1 Å²	72.1	38%	0.382	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-81	114	174.5	-179.5	0	0	0	0	108.3	P225 I229 L312 H315 Q316 E317	P225-V227 PolarHBondContact O-N 3.16Å; P225-V227 VanDerWaalsContact O-N 3.16Å; V227-I229 HydrophobicContact CG1-CG2 4.2Å; V227-L312 HydrophobicContact CG2-CD1 4.1Å; V227-H315 PolarHBondContact N-O 2.95Å; V227-Q316 HydrophobicContact CB-CB 4.37Å; V227-Q316 HydrophobicContact CB-CG 4.19Å; V227-Q316 HydrophobicContact CG1-CG 4.34Å; V227-Q316 WeakPolarHBondContact O-CA 3.39Å; V227-E317 PolarHBondContact O-N 3.47Å
228	R	92.9	Very high	80	Confident	157 Å²	157	72.7 Å²	72.7	59%	0.592	37%	0.366	S	S	*	.			trans	-82.1	132.6	174.2	-61.1	-170.7	175.8	172.8	-2.1	110.6	L226 E231 E317	L226-R228 PolarHBondContact O-N 3.2Å; R228-E231 HydrophobicContact CB-CG 4.1Å; R228-E231 WeakPolarHBondContact CD-OE1 3.32Å; R228-E317 WeakPolarHBondContact CA-OE2 3.37Å; R228-E317 WeakPolarHBondContact CB-OE2 3.41Å
229	I	92.8	Very high	79.8	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.021	36%	0.355	C	S	.	.			trans	-130.3	157.5	176.7	61.6	152.9	0	0	0	110.3	V227 E231 D302 Q316 E317 I322 R325 F528 Y541	V227-I229 HydrophobicContact CG1-CG2 4.2Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.07Å; I229-D302 HydrophobicContact CD1-CB 4.2Å; I229-Q316 HydrophobicContact CG1-CG 4.35Å; I229-Q316 HydrophobicContact CG2-CG 4.05Å; I229-E317 WeakPolarHBondContact CD1-O 3.33Å; I229-E317 HydrophobicContact CG1-CB 3.98Å; I229-E317 VanDerWaalsContact CG1-O 3.25Å; I229-E317 WeakPolarHBondContact CG1-O 3.43Å; I229-E317 PolarHBondContact N-OE2 3.39Å; I229-I322 HydrophobicContact CD1-CD1 3.78Å; I229-I322 HydrophobicContact CG1-CD1 4.01Å; I229-R325 PolarHBondContact O-NH1 3.42Å; I229-F528 HydrophobicContact CD1-CE2 4.42Å; I229-F528 HydrophobicContact CD1-CZ 4.23Å; I229-Y541 HydrophobicContact CB-CD1 4.37Å; I229-Y541 HydrophobicContact CB-CD2 4.34Å; I229-Y541 HydrophobicContact CB-CE1 3.85Å; I229-Y541 HydrophobicContact CB-CE2 3.83Å; I229-Y541 HydrophobicContact CD1-CD1 4.29Å; I229-Y541 HydrophobicContact CD1-CE1 4.45Å; I229-Y541 HydrophobicContact CG2-CE1 3.8Å; I229-Y541 HydrophobicContact CG2-CE2 4.41Å; I229-Y541 WeakPolarHBondContact CG2-OH 3.45Å
230	G	90.7	Very high	79.6	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.01	36%	0.357	C	S	.	.			trans	60.5	36.1	-175	0	0	0	0	0	113.7	D232 A233 R325 T539 Y541	G230-D232 WeakPolarHBondContact CA-OD1 3.44Å; G230-D232 PolarHBondContact O-N 3.35Å; G230-A233 WeakPolarHBondContact O-CB 3.48Å; G230-A233 PolarHBondContact O-N 3.04Å; G230-R325 PolarHBondContact O-NH1 3.44Å; G230-T539 WeakPolarHBondContact CA-OG1 3.45Å; G230-Y541 VanDerWaalsContact N-CD2 3.31Å
231	E	93.7	Very high	79.7	Confident	129 Å²	129	69.6 Å²	69.6	60%	0.603	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.4	174.3	-65.6	-169.7	131.8	0	0	112.4	R228 I229 A233	R228-E231 HydrophobicContact CB-CG 4.1Å; R228-E231 WeakPolarHBondContact CD-OE1 3.32Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.07Å; E231-A233 VanDerWaalsContact C-N 3.29Å
232	D	89	Confident	80.1	Confident	67 Å²	67	68.9 Å²	68.9	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.1	172	61	-54.6	0	0	0	113.8	G230 H234 T539 K540	G230-D232 WeakPolarHBondContact CA-OD1 3.44Å; G230-D232 PolarHBondContact O-N 3.35Å; D232-H234 PolarHBondContact O-N 2.72Å; D232-H234 PolarHBondContact O-ND1 2.86Å; D232-T539 PolarHBondContact OD1-OG1 3.19Å; D232-T539 WeakPolarHBondContact OD2-CA 3.44Å; D232-T539 PolarHBondContact OD2-OG1 2.92Å; D232-K540 PolarHBondContact OD2-N 3.34Å
233	A	91.1	Very high	80.8	Confident	13 Å²	13	77.4 Å²	77.4	11%	0.107	39%	0.389	C	S	.	.			trans	-64	127.4	-173.5	0	0	0	0	0	112.6	G230 E231 I322 V537 E538	G230-A233 WeakPolarHBondContact O-CB 3.48Å; G230-A233 PolarHBondContact O-N 3.04Å; E231-A233 VanDerWaalsContact C-N 3.29Å; A233-I322 HydrophobicContact CB-CG2 3.63Å; A233-V537 HydrophobicContact CB-CG1 4.06Å; A233-E538 VanDerWaalsContact CA-O 3.31Å; A233-E538 WeakPolarHBondContact CA-O 3.33Å
234	H	86.6	Confident	81.7	Confident	98 Å²	98	74.2 Å²	74.2	45%	0.454	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164	176.1	60.1	-75.9	0	0	0	110	D232 E538	D232-H234 PolarHBondContact O-N 2.72Å; D232-H234 PolarHBondContact O-ND1 2.86Å; H234-E538 PolarHBondContact N-O 3.16Å; H234-E538 VanDerWaalsContact N-O 3.08Å; H234-E538 IonicContact NE2-OE2 3.59Å; H234-E538 PolarHBondContact O-N 2.8Å
235	R	83.8	Confident	82.7	Confident	35 Å²	35	73.4 Å²	73.4	13%	0.132	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.6	-179.7	-69.8	173	66.6	-164.7	-2.4	110.5	P237 Q240 A326 I328 D384	R235-P237 WeakPolarHBondContact O-CD 3.44Å; R235-Q240 HydrophobicContact CB-CB 4.39Å; R235-A326 WeakPolarHBondContact CD-O 3.47Å; R235-A326 HydrophobicContact CG-CB 4.09Å; R235-A326 VanDerWaalsContact CG-O 3.24Å; R235-A326 WeakPolarHBondContact CG-O 3.34Å; R235-I328 HydrophobicContact CG-CD1 4.33Å; R235-I328 HydrophobicContact CG-CG1 4.28Å; R235-D384 IonicContact CZ-OD2 2.86Å; R235-D384 IonicContact NE-OD2 3.49Å; R235-D384 IonicContact NH2-OD1 3.78Å; R235-D384 PolarHBondContact NH2-OD1 3.24Å; R235-D384 IonicContact NH2-OD2 3.81Å; R235-D384 PolarHBondContact NH2-OD2 3.09Å
236	N	76.4	Confident	83.2	Confident	28 Å²	28	68.7 Å²	68.7	15%	0.15	33%	0.327	C	S	.	.			trans	-59.5	122.3	169.6	-175	-43.9	0	0	0	108.9	L238 M239 Q240 G536 E538	N236-L238 PolarHBondContact O-N 2.8Å; N236-L238 VanDerWaalsContact O-N 3.1Å; N236-L238 WeakPolarHBondContact OD1-CA 3.34Å; N236-L238 WeakPolarHBondContact OD1-CB 3.06Å; N236-L238 WeakPolarHBondContact OD1-CD1 3.14Å; N236-L238 WeakPolarHBondContact OD1-CG 3.37Å; N236-L238 PolarHBondContact OD1-N 3.24Å; N236-M239 PolarHBondContact O-N 3.14Å; N236-Q240 PolarHBondContact O-N 2.84Å; N236-G536 WeakPolarHBondContact CB-O 3.16Å; N236-G536 PolarHBondContact N-O 3.15Å; N236-E538 HydrophobicContact CB-CG 4.32Å; N236-E538 WeakPolarHBondContact CB-OE1 3.06Å; N236-E538 PolarHBondContact ND2-OE1 3Å
237	P	66.7	Low	83.7	Confident	62 Å²	62	65.1 Å²	65.1	40%	0.403	31%	0.309	S	S	.	.	H	α-helix	trans	-55.6	-29.8	-179.6	-27.1	35.1	0	0	0	114.1	R235 M239 Q240 N241	R235-P237 WeakPolarHBondContact O-CD 3.44Å; P237-M239 VanDerWaalsContact C-N 3.33Å; P237-Q240 PolarHBondContact O-N 3.34Å; P237-N241 WeakPolarHBondContact O-CB 3.43Å; P237-N241 PolarHBondContact O-N 2.72Å; P237-N241 VanDerWaalsContact O-N 3.07Å; P237-N241 PolarHBondContact O-ND2 3.46Å; P237-N241 VanDerWaalsContact O-ND2 3.1Å
238	L	62.8	Low	84	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-70.4	-28.3	-180	-59.9	157.2	0	0	0	112.4	N236 E242 L558 T562	N236-L238 PolarHBondContact O-N 2.8Å; N236-L238 VanDerWaalsContact O-N 3.1Å; N236-L238 WeakPolarHBondContact OD1-CA 3.34Å; N236-L238 WeakPolarHBondContact OD1-CB 3.06Å; N236-L238 WeakPolarHBondContact OD1-CD1 3.14Å; N236-L238 WeakPolarHBondContact OD1-CG 3.37Å; N236-L238 PolarHBondContact OD1-N 3.24Å; L238-E242 VanDerWaalsContact O-CG 3.22Å; L238-E242 WeakPolarHBondContact O-CG 3.44Å; L238-L558 HydrophobicContact CD1-CD1 4.03Å; L238-L558 HydrophobicContact CD1-CD2 3.62Å; L238-L558 HydrophobicContact CD1-CG 3.5Å; L238-L558 VanDerWaalsContact CD1-CG 3.5Å; L238-L558 HydrophobicContact CD2-CD1 4.06Å; L238-L558 HydrophobicContact CD2-CG 4.41Å; L238-L558 HydrophobicContact CG-CG 4.48Å; L238-T562 HydrophobicContact CD1-CG2 4.2Å; L238-T562 HydrophobicContact CG-CG2 4.49Å
239	M	76	Confident	84.3	Confident	9 Å²	9	54.7 Å²	54.7	4%	0.044	26%	0.263	C	S	.	.	H	α-helix	trans	-92.7	-29.9	174.2	-60.2	-174.1	92.7	0	0	111	N236 P237 Y502 Y506 G536	N236-M239 PolarHBondContact O-N 3.14Å; P237-M239 VanDerWaalsContact C-N 3.33Å; M239-Y502 HydrophobicContact CE-CE2 4.38Å; M239-Y506 HydrophobicContact CB-CE1 4.37Å; M239-Y506 HydrophobicContact CE-CD1 3.85Å; M239-Y506 HydrophobicContact CE-CD2 3.7Å; M239-Y506 HydrophobicContact CE-CE1 3.56Å; M239-Y506 HydrophobicContact CE-CE2 3.35Å; M239-Y506 HydrophobicContact CE-CG 3.93Å; M239-Y506 HydrophobicContact CG-CD1 4.18Å; M239-Y506 HydrophobicContact CG-CE1 3.59Å; M239-Y506 HydrophobicContact SD-CE1 4.29Å; M239-G536 WeakPolarHBondContact SD-CA 3.39Å
240	Q	71.9	Confident	84.6	Confident	87 Å²	87	54.5 Å²	54.5	41%	0.407	26%	0.262	S	S	.	.	H	α-helix	trans	-68.8	-43.9	-179.3	-172.9	179.9	19.9	0	0	113.5	R235 N236 P237 E242 K245	R235-Q240 HydrophobicContact CB-CB 4.39Å; N236-Q240 PolarHBondContact O-N 2.84Å; P237-Q240 PolarHBondContact O-N 3.34Å; Q240-E242 PolarHBondContact O-N 2.89Å; Q240-K245 PolarHBondContact O-NZ 3.26Å; Q240-K245 VanDerWaalsContact O-NZ 3.14Å
241	N	71.2	Confident	85	Confident	130 Å²	130	54.5 Å²	54.5	70%	0.695	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	2.1	-173.4	-69	-33.9	0	0	0	114	P237	P237-N241 WeakPolarHBondContact O-CB 3.43Å; P237-N241 PolarHBondContact O-N 2.72Å; P237-N241 VanDerWaalsContact O-N 3.07Å; P237-N241 PolarHBondContact O-ND2 3.46Å; P237-N241 VanDerWaalsContact O-ND2 3.1Å
242	E	72.6	Confident	85.2	Confident	71 Å²	71	48.4 Å²	48.4	33%	0.332	23%	0.233	S	C	.	.			trans	-76.6	150.5	-177.8	-71.7	-64.1	156	0	0	113.3	L238 Q240 K245	L238-E242 VanDerWaalsContact O-CG 3.22Å; L238-E242 WeakPolarHBondContact O-CG 3.44Å; Q240-E242 PolarHBondContact O-N 2.89Å; E242-K245 PolarHBondContact O-NZ 3.42Å
243	K	77.8	Confident	85.6	Confident	204 Å²	204	45.2 Å²	45.2	89%	0.887	22%	0.216	S	C	*	.	S	Bend	trans	-68.9	-42.8	-176.5	-172.9	179.4	179.1	-178.4	0	112.2
244	R	86.8	Confident	85.8	Confident	91 Å²	91	44.6 Å²	44.6	34%	0.343	21%	0.211	S	C	.	.	S	Bend	trans	-94.6	137.9	172.4	-71.1	-175	177.3	151	-1.3	109.4	Q453 D454 K455 D501	R244-Q453 VanDerWaalsContact CZ-O 3.28Å; R244-Q453 PolarHBondContact NE-O 3.45Å; R244-D454 PolarHBondContact NE-O 2.63Å; R244-K455 WeakPolarHBondContact CB-O 3.38Å; R244-D501 IonicContact NH1-OD1 3.77Å; R244-D501 IonicContact NH1-OD2 3.54Å
245	K	92.5	Very high	86.2	Confident	63 Å²	63	39.9 Å²	39.9	27%	0.274	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	156.5	-179	-59.4	-51.4	179.4	-161.2	0	111	Q240 E242 G383 D384 F456 T457	Q240-K245 PolarHBondContact O-NZ 3.26Å; Q240-K245 VanDerWaalsContact O-NZ 3.14Å; E242-K245 PolarHBondContact O-NZ 3.42Å; K245-G383 WeakPolarHBondContact CB-O 3.28Å; K245-D384 WeakPolarHBondContact CA-OD1 3.41Å; K245-D384 VanDerWaalsContact CB-OD1 3.27Å; K245-D384 WeakPolarHBondContact CB-OD1 3.1Å; K245-F456 HydrophobicContact CB-CD1 4Å; K245-F456 HydrophobicContact CB-CE1 4.13Å; K245-F456 CarbonylContact O-C 3.55Å; K245-F456 WeakPolarHBondContact O-CA 3.39Å; K245-F456 WeakPolarHBondContact O-CD1 3.4Å; K245-T457 PolarHBondContact O-N 2.94Å
246	N	93.9	Very high	86.8	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.8	-178.1	-63.2	-39.2	0	0	0	110.8	D384 G385 T457 Y506	N246-D384 HydrophobicContact CB-CB 4.33Å; N246-D384 PolarHBondContact N-OD1 3.34Å; N246-D384 CarbonylContact O-C 3.54Å; N246-D384 WeakPolarHBondContact O-CA 3.35Å; N246-D384 WeakPolarHBondContact O-CB 3.48Å; N246-G385 PolarHBondContact O-N 2.91Å; N246-T457 WeakPolarHBondContact CA-O 3.49Å; N246-Y506 VanDerWaalsContact CG-OH 3.28Å; N246-Y506 PolarHBondContact ND2-OH 2.93Å; N246-Y506 VanDerWaalsContact ND2-OH 3.09Å; N246-Y506 PolarHBondContact OD1-OH 3.22Å
247	L	97.7	Very high	87.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115.3	173.7	179.4	62.7	0	0	0	109.5	I378 L381 G385 I387 L449 F456 T457 T458 S459	L247-I378 HydrophobicContact CD2-CD1 4.32Å; L247-I378 HydrophobicContact CD2-CG1 4.22Å; L247-I378 HydrophobicContact CD2-CG2 3.75Å; L247-L381 HydrophobicContact CD1-CD2 3.79Å; L247-G385 WeakPolarHBondContact CA-O 3.37Å; L247-I387 HydrophobicContact CD1-CD1 3.88Å; L247-I387 HydrophobicContact CD1-CG1 4.4Å; L247-L449 HydrophobicContact CD2-CD2 3.84Å; L247-L449 HydrophobicContact CG-CD2 3.94Å; L247-F456 HydrophobicContact CB-CB 3.83Å; L247-F456 HydrophobicContact CB-CD1 3.85Å; L247-F456 HydrophobicContact CB-CG 3.87Å; L247-F456 HydrophobicContact CD2-CD2 4.19Å; L247-F456 HydrophobicContact CD2-CG 4.21Å; L247-T457 PolarHBondContact N-O 2.81Å; L247-T458 HydrophobicContact CB-CG2 4.34Å; L247-T458 WeakPolarHBondContact O-CA 3.45Å; L247-S459 PolarHBondContact O-N 3.47Å; L247-S459 VanDerWaalsContact O-N 3.1Å
248	T	98.3	Very high	89.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.7	176.9	-60	0	0	0	0	110.4	G385 V386 I387 S459 L534	T248-G385 PolarHBondContact N-O 2.6Å; T248-V386 CarbonylContact O-C 3.56Å; T248-V386 WeakPolarHBondContact O-CA 3.47Å; T248-I387 PolarHBondContact O-N 3.47Å; T248-S459 VanDerWaalsContact CA-O 3.29Å; T248-S459 WeakPolarHBondContact CA-O 3.22Å; T248-S459 PolarHBondContact OG1-OG 3.16Å; T248-L534 HydrophobicContact CG2-CD1 4.38Å
249	I	98.6	Very high	90.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.2	165.4	-66.2	175.6	0	0	0	108.7	I251 I387 L389 A445 L449 S459 L460 V461	I249-I251 HydrophobicContact CG2-CG1 3.93Å; I249-I387 CarbonylContact C-O 3.38Å; I249-I387 VanDerWaalsContact CA-O 3.29Å; I249-I387 WeakPolarHBondContact CA-O 3.35Å; I249-I387 HydrophobicContact CG1-CB 4.18Å; I249-L389 HydrophobicContact CG2-CD1 3.95Å; I249-L389 HydrophobicContact CG2-CG 4.12Å; I249-A445 HydrophobicContact CD1-CB 4.46Å; I249-A445 HydrophobicContact CG2-CB 4.47Å; I249-L449 HydrophobicContact CB-CD1 4.2Å; I249-L449 HydrophobicContact CD1-CD1 4.03Å; I249-L449 HydrophobicContact CD1-CD2 3.75Å; I249-L449 HydrophobicContact CD1-CG 3.69Å; I249-L449 HydrophobicContact CG1-CD1 4.19Å; I249-L449 HydrophobicContact CG1-CD2 3.95Å; I249-L449 HydrophobicContact CG1-CG 4.22Å; I249-S459 PolarHBondContact N-O 2.78Å; I249-L460 HydrophobicContact CB-CD1 4.22Å; I249-L460 HydrophobicContact CB-CG 4.48Å; I249-L460 HydrophobicContact CG2-CD1 4.16Å; I249-L460 CarbonylContact O-C 3.56Å; I249-L460 WeakPolarHBondContact O-CA 3.48Å; I249-V461 PolarHBondContact O-N 3.16Å
250	L	98.6	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.2	168	171.1	63.6	0	0	0	108.4	V252 F300 I387 V388 L389 V461 L527 L531	L250-V252 HydrophobicContact CD2-CG2 4.31Å; L250-V252 HydrophobicContact CG-CG2 4.21Å; L250-F300 HydrophobicContact CD2-CE1 3.56Å; L250-F300 HydrophobicContact CD2-CZ 3.48Å; L250-F300 VanDerWaalsContact CD2-CZ 3.48Å; L250-I387 PolarHBondContact N-O 3.46Å; L250-V388 HydrophobicContact CB-CG2 4.35Å; L250-V388 HydrophobicContact CD2-CG1 4.27Å; L250-V388 HydrophobicContact CD2-CG2 4.24Å; L250-V388 HydrophobicContact CG-CG1 4.34Å; L250-V388 CarbonylContact O-C 3.53Å; L250-V388 VanDerWaalsContact O-CA 3.24Å; L250-V388 WeakPolarHBondContact O-CA 3.41Å; L250-L389 PolarHBondContact O-N 2.95Å; L250-V461 CarbonylContact C-O 3.56Å; L250-V461 WeakPolarHBondContact CA-O 3.44Å; L250-V461 HydrophobicContact CD1-CB 3.72Å; L250-V461 HydrophobicContact CD1-CG1 3.7Å; L250-L527 HydrophobicContact CD1-CD1 4.03Å; L250-L527 HydrophobicContact CD2-CD2 4.34Å; L250-L531 HydrophobicContact CD2-CD1 3.97Å; L250-L531 HydrophobicContact CD2-CD2 4.46Å
251	I	98.6	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.7	172.1	-55.1	179	0	0	0	107.9	I249 L389 T391 V442 A445 L460 V461 Y462 L463	I249-I251 HydrophobicContact CG2-CG1 3.93Å; I251-L389 CarbonylContact C-O 3.52Å; I251-L389 VanDerWaalsContact CA-O 3.32Å; I251-L389 WeakPolarHBondContact CA-O 3.35Å; I251-L389 HydrophobicContact CG1-CB 4.31Å; I251-L389 HydrophobicContact CG1-CD1 4.36Å; I251-T391 HydrophobicContact CG2-CG2 3.69Å; I251-V442 HydrophobicContact CD1-CB 4.29Å; I251-V442 HydrophobicContact CD1-CG1 4.37Å; I251-V442 HydrophobicContact CD1-CG2 3.96Å; I251-A445 HydrophobicContact CD1-CB 3.76Å; I251-L460 HydrophobicContact CD1-CD1 4.02Å; I251-L460 HydrophobicContact CG1-CD1 4.49Å; I251-V461 PolarHBondContact N-O 3.11Å; I251-Y462 HydrophobicContact CB-CD2 3.84Å; I251-Y462 HydrophobicContact CG2-CD2 3.65Å; I251-Y462 HydrophobicContact CG2-CE2 4.2Å; I251-Y462 WeakPolarHBondContact O-CA 3.16Å; I251-L463 PolarHBondContact O-N 3Å
252	V	98.4	Very high	94	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	107.3	172.3	-176.8	0	0	0	0	106.7	L250 V296 M299 F300 W332 V388 L389 H390 T391 L463	L250-V252 HydrophobicContact CD2-CG2 4.31Å; L250-V252 HydrophobicContact CG-CG2 4.21Å; V252-V296 HydrophobicContact CG1-CG2 4.29Å; V252-M299 HydrophobicContact CG1-CE 4.5Å; V252-M299 HydrophobicContact CG1-SD 4.36Å; V252-F300 HydrophobicContact CG2-CE2 4Å; V252-F300 HydrophobicContact CG2-CZ 3.84Å; V252-W332 HydrophobicContact CG2-CH2 4.37Å; V252-V388 HydrophobicContact CG2-CG1 3.77Å; V252-L389 PolarHBondContact N-O 2.74Å; V252-H390 HydrophobicContact CB-CB 4.5Å; V252-T391 PolarHBondContact O-N 3.5Å; V252-T391 PolarHBondContact O-OG1 3.44Å; V252-T391 VanDerWaalsContact O-OG1 3.14Å; V252-L463 WeakPolarHBondContact CA-O 3.26Å
253	G	97.3	Very high	95	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	148.4	178	0	0	0	0	0	111.5	T391 L463 S464 D465	G253-T391 WeakPolarHBondContact CA-OG1 3.31Å; G253-L463 PolarHBondContact N-O 2.83Å; G253-S464 CarbonylContact O-C 3.56Å; G253-S464 WeakPolarHBondContact O-CA 3.26Å; G253-S464 PolarHBondContact O-OG 3.25Å; G253-D465 PolarHBondContact O-N 2.83Å; G253-D465 VanDerWaalsContact O-OD1 3.1Å
254	E	95.7	Very high	95.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-109.1	129.5	174.2	-179.5	60.4	-148.6	0	0	109.6	S256 T292 T391 S394 H395 D465 H466	E254-S256 PolarHBondContact O-N 3.46Å; E254-T292 PolarHBondContact OE1-OG1 3.36Å; E254-T292 VanDerWaalsContact OE1-OG1 3.13Å; E254-T292 PolarHBondContact OE2-OG1 3.09Å; E254-T292 VanDerWaalsContact OE2-OG1 3.12Å; E254-T391 WeakPolarHBondContact CB-O 3.47Å; E254-T391 PolarHBondContact N-OG1 2.81Å; E254-S394 PolarHBondContact O-N 3.03Å; E254-H395 HydrophobicContact CG-CB 3.88Å; E254-H395 IonicContact OE1-CD2 3.83Å; E254-H395 PolarHBondContact OE1-CD2 2.8Å; E254-D465 VanDerWaalsContact CA-OD1 3.32Å; E254-D465 WeakPolarHBondContact CA-OD1 3.32Å; E254-H466 IonicContact OE1-CE1 3.58Å; E254-H466 IonicContact OE1-NE2 2.97Å
255	T	95.2	Very high	95.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	53.3	23.2	171.8	52	0	0	0	0	116.9	S394 H395 Y431 D465 H466 H478	T255-S394 WeakPolarHBondContact OG1-CA 3.27Å; T255-S394 PolarHBondContact OG1-O 3.1Å; T255-S394 VanDerWaalsContact OG1-O 3.12Å; T255-H395 WeakPolarHBondContact OG1-CA 3.37Å; T255-H395 PolarHBondContact OG1-N 2.9Å; T255-Y431 PolarHBondContact O-OH 3.36Å; T255-D465 PolarHBondContact N-OD1 2.97Å; T255-H466 CarbonylContact C-O 3.53Å; T255-H466 WeakPolarHBondContact CA-O 3.26Å; T255-H466 WeakPolarHBondContact CG2-CE1 3.31Å; T255-H478 WeakPolarHBondContact CG2-ND1 3.35Å
256	S	97.1	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.104	C	C	.	.			trans	-83.6	125	175.6	-61.9	0	0	0	0	110.6	E254 Y431 Y462 S464 H466 P493	E254-S256 PolarHBondContact O-N 3.46Å; S256-Y431 WeakPolarHBondContact CA-OH 3.43Å; S256-Y462 WeakPolarHBondContact CB-OH 3.35Å; S256-Y462 PolarHBondContact OG-OH 3.22Å; S256-S464 WeakPolarHBondContact CB-OG 3.38Å; S256-S464 PolarHBondContact N-OG 2.87Å; S256-S464 WeakPolarHBondContact O-CB 3.45Å; S256-S464 PolarHBondContact O-OG 3.07Å; S256-H466 PolarHBondContact N-O 2.67Å; S256-P493 WeakPolarHBondContact O-CD 3.45Å
257	R	94.9	Very high	95.8	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.026	14%	0.142	C	C	.	.			trans	-101.3	138.7	178.1	73	-163.5	-164.9	161.4	11.3	112.1	E259 N260 F261 Y431 E468 E472 S488	R257-E259 HydrophobicContact CG-CB 4.47Å; R257-E259 PolarHBondContact O-N 3.08Å; R257-N260 HydrophobicContact CG-CB 4.29Å; R257-N260 PolarHBondContact NE-OD1 2.99Å; R257-N260 PolarHBondContact NH2-OD1 2.83Å; R257-N260 PolarHBondContact O-N 2.99Å; R257-F261 WeakPolarHBondContact O-CD2 3.37Å; R257-Y431 HydrophobicContact CG-CE1 4Å; R257-Y431 WeakPolarHBondContact CG-OH 3.36Å; R257-Y431 PolarHBondContact N-OH 2.79Å; R257-E468 VanDerWaalsContact CD-O 3.26Å; R257-E468 WeakPolarHBondContact CD-O 3.36Å; R257-E468 PolarHBondContact NH1-O 3.27Å; R257-E472 IonicContact CZ-OE1 3.05Å; R257-E472 IonicContact NH1-OE1 2.78Å; R257-E472 PolarHBondContact NH1-OE1 2.82Å; R257-E472 IonicContact NH1-OE2 3.87Å; R257-E472 IonicContact NH2-OE1 3.81Å; R257-E472 PolarHBondContact NH2-OE1 3.37Å; R257-S488 VanDerWaalsContact CB-O 3.3Å; R257-S488 WeakPolarHBondContact CB-O 3.36Å
258	A	95.4	Very high	95.6	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.017	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.7	-31.6	-176.8	0	0	0	0	0	113	N260 F261 Y281 Q491	A258-N260 PolarHBondContact O-N 3.05Å; A258-F261 PolarHBondContact O-N 3.2Å; A258-Y281 PolarHBondContact O-OH 2.99Å; A258-Q491 HydrophobicContact CB-CB 4.22Å; A258-Q491 WeakPolarHBondContact CB-O 3.5Å; A258-Q491 PolarHBondContact N-O 2.8Å
259	E	94.4	Very high	95.5	Very high	106 Å²	106	31.9 Å²	31.9	50%	0.495	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-59.4	-30.3	-176.8	-170.7	-177.9	170.7	0	0	113.7	R257 Y266 S488	R257-E259 HydrophobicContact CG-CB 4.47Å; R257-E259 PolarHBondContact O-N 3.08Å; E259-Y266 VanDerWaalsContact O-CD2 3.25Å; E259-Y266 WeakPolarHBondContact O-CD2 3.15Å; E259-S488 PolarHBondContact OE2-OG 3.42Å; E259-S488 VanDerWaalsContact OE2-OG 3.04Å
260	N	96	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-99.7	10.9	-176.2	-73.7	51.9	0	0	0	113.3	R257 A258 Y266 T270 Y431 D432 L435	R257-N260 HydrophobicContact CG-CB 4.29Å; R257-N260 PolarHBondContact NE-OD1 2.99Å; R257-N260 PolarHBondContact NH2-OD1 2.83Å; R257-N260 PolarHBondContact O-N 2.99Å; A258-N260 PolarHBondContact O-N 3.05Å; N260-Y266 VanDerWaalsContact C-CD1 3.49Å; N260-Y266 HydrophobicContact CB-CD1 4.32Å; N260-Y266 HydrophobicContact CB-CE1 4.03Å; N260-Y266 PolarHBondContact ND2-OH 3.43Å; N260-Y266 WeakPolarHBondContact O-CD1 3.17Å; N260-T270 WeakPolarHBondContact O-CB 3.42Å; N260-T270 WeakPolarHBondContact O-CG2 3.02Å; N260-T270 PolarHBondContact O-OG1 3.11Å; N260-Y431 HydrophobicContact CB-CE1 4.15Å; N260-D432 PolarHBondContact ND2-OD1 3.18Å; N260-L435 HydrophobicContact CB-CD1 3.42Å; N260-L435 VanDerWaalsContact CB-CD1 3.42Å; N260-L435 WeakPolarHBondContact O-CD1 3.47Å
261	F	96.9	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.			trans	-88.5	119.1	173.7	-87.8	-120.4	0	0	0	110.5	R257 A258 L263 N264 Y266 N271 Y281 L435 Y462 P493 L495	R257-F261 WeakPolarHBondContact O-CD2 3.37Å; A258-F261 PolarHBondContact O-N 3.2Å; F261-L263 PolarHBondContact O-N 3.48Å; F261-L263 VanDerWaalsContact O-N 3.13Å; F261-N264 WeakPolarHBondContact O-CB 3.35Å; F261-N264 PolarHBondContact O-N 2.73Å; F261-Y266 VanDerWaalsContact O-CB 3.32Å; F261-Y266 WeakPolarHBondContact O-CB 3.5Å; F261-N271 VanDerWaalsContact CA-OD1 3.27Å; F261-N271 WeakPolarHBondContact CA-OD1 3.19Å; F261-N271 WeakPolarHBondContact CD1-ND2 3.49Å; F261-N271 WeakPolarHBondContact CD1-OD1 3.4Å; F261-N271 WeakPolarHBondContact CE1-ND2 3.28Å; F261-Y281 HydrophobicContact CB-CE2 4.23Å; F261-Y281 AromaticContact CD1-CE2 3.97Å; F261-Y281 HydrophobicContact CD1-CE2 3.97Å; F261-Y281 HydrophobicContact CG-CE2 4.32Å; F261-L435 HydrophobicContact CD2-CD1 4.09Å; F261-L435 HydrophobicContact CE2-CD1 4.05Å; F261-L435 HydrophobicContact CE2-CD2 3.76Å; F261-L435 HydrophobicContact CE2-CG 4.43Å; F261-L435 HydrophobicContact CZ-CD2 4.42Å; F261-Y462 HydrophobicContact CE1-CE1 4.28Å; F261-Y462 HydrophobicContact CZ-CE1 4.08Å; F261-P493 HydrophobicContact CD1-CB 3.88Å; F261-P493 HydrophobicContact CD2-CB 3.96Å; F261-P493 HydrophobicContact CD2-CG 4.11Å; F261-P493 HydrophobicContact CE1-CB 3.68Å; F261-P493 HydrophobicContact CE1-CG 4.12Å; F261-P493 HydrophobicContact CE2-CB 3.79Å; F261-P493 HydrophobicContact CE2-CG 3.54Å; F261-P493 HydrophobicContact CG-CB 4.02Å; F261-P493 HydrophobicContact CZ-CB 3.65Å; F261-P493 HydrophobicContact CZ-CG 3.54Å; F261-L495 HydrophobicContact CE1-CD1 4.21Å
262	S	96.8	Very high	95.3	Very high	28 Å²	28	33 Å²	33	20%	0.196	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58.5	-24.2	177.3	58.6	0	0	0	0	114	N264 G265 R268 T270 N271	S262-N264 PolarHBondContact O-N 2.88Å; S262-G265 PolarHBondContact O-N 3.37Å; S262-R268 WeakPolarHBondContact CB-O 3.4Å; S262-T270 PolarHBondContact N-OG1 3.3Å; S262-N271 PolarHBondContact N-OD1 3.35Å; S262-N271 WeakPolarHBondContact OG-CA 3.2Å; S262-N271 WeakPolarHBondContact OG-CB 3.5Å; S262-N271 PolarHBondContact OG-N 3.06Å; S262-N271 PolarHBondContact OG-OD1 2.9Å
263	L	94.3	Very high	95.3	Very high	46 Å²	46	37.3 Å²	37.3	24%	0.241	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-63.9	-20.2	174.1	-60.8	175.9	0	0	0	113.1	F261 N271 L274 A275 V279 Y281 L495	F261-L263 PolarHBondContact O-N 3.48Å; F261-L263 VanDerWaalsContact O-N 3.13Å; L263-N271 HydrophobicContact CD1-CB 4.3Å; L263-N271 HydrophobicContact CG-CB 4.04Å; L263-L274 HydrophobicContact CD1-CB 4.16Å; L263-A275 HydrophobicContact CD2-CB 3.89Å; L263-V279 HydrophobicContact CD1-CG2 4.14Å; L263-Y281 HydrophobicContact CB-CD1 3.75Å; L263-Y281 HydrophobicContact CB-CD2 4.26Å; L263-Y281 HydrophobicContact CB-CE1 4.2Å; L263-Y281 HydrophobicContact CB-CG 3.78Å; L263-Y281 HydrophobicContact CD1-CD2 4.23Å; L263-Y281 HydrophobicContact CD1-CG 4.24Å; L263-L495 HydrophobicContact CD1-CD2 3.78Å
264	N	87.9	Confident	95.3	Very high	70 Å²	70	37.3 Å²	37.3	37%	0.374	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-94	9.6	173.6	-153.9	8.8	0	0	0	113.8	F261 S262 Y281 P283	F261-N264 WeakPolarHBondContact O-CB 3.35Å; F261-N264 PolarHBondContact O-N 2.73Å; S262-N264 PolarHBondContact O-N 2.88Å; N264-Y281 HydrophobicContact CB-CE1 3.55Å; N264-P283 HydrophobicContact CB-CB 4.46Å; N264-P283 VanDerWaalsContact CG-CB 3.43Å; N264-P283 WeakPolarHBondContact OD1-CB 3.48Å
265	G	88.8	Confident	95.3	Very high	63 Å²	63	40.5 Å²	40.5	65%	0.649	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	17.6	-172.8	0	0	0	0	0	114.6	S262	S262-G265 PolarHBondContact O-N 3.37Å
266	Y	95.7	Very high	95.3	Very high	40 Å²	40	48.9 Å²	48.9	16%	0.157	27%	0.266	C	S	.	.			trans	-57.6	130.3	167.1	-178.1	-124.9	0	0	0	109.8	E259 N260 F261 R268 T270 V428 D432	E259-Y266 VanDerWaalsContact O-CD2 3.25Å; E259-Y266 WeakPolarHBondContact O-CD2 3.15Å; N260-Y266 VanDerWaalsContact C-CD1 3.49Å; N260-Y266 HydrophobicContact CB-CD1 4.32Å; N260-Y266 HydrophobicContact CB-CE1 4.03Å; N260-Y266 PolarHBondContact ND2-OH 3.43Å; N260-Y266 WeakPolarHBondContact O-CD1 3.17Å; F261-Y266 VanDerWaalsContact O-CB 3.32Å; F261-Y266 WeakPolarHBondContact O-CB 3.5Å; Y266-R268 HydrophobicContact CD1-CB 4.03Å; Y266-R268 WeakPolarHBondContact CD1-O 3.16Å; Y266-R268 HydrophobicContact CE1-CB 3.66Å; Y266-R268 HydrophobicContact CE1-CG 4.23Å; Y266-R268 PolarHBondContact O-N 3.46Å; Y266-R268 VanDerWaalsContact O-N 3.08Å; Y266-T270 HydrophobicContact CD1-CG2 4.01Å; Y266-T270 HydrophobicContact CE1-CG2 3.86Å; Y266-V428 WeakPolarHBondContact OH-CG1 3.4Å; Y266-D432 PolarHBondContact OH-OD1 3.1Å; Y266-D432 PolarHBondContact OH-OD2 3.31Å
267	P	94.4	Very high	95.2	Very high	125 Å²	125	49.6 Å²	49.6	81%	0.812	27%	0.269	S	S	*	.	S	Bend	trans	-62.5	-21.5	-170	-27.8	35.7	0	0	0	115.8
268	R	94.8	Very high	95.1	Very high	67 Å²	67	54.5 Å²	54.5	25%	0.253	30%	0.296	S	S	.	.	S	Bend	trans	-99	134.8	-179.5	-62.4	172.8	175.1	-163.2	-8.9	109.4	S262 Y266 T270 F410 N429 D432	S262-R268 WeakPolarHBondContact CB-O 3.4Å; Y266-R268 HydrophobicContact CD1-CB 4.03Å; Y266-R268 WeakPolarHBondContact CD1-O 3.16Å; Y266-R268 HydrophobicContact CE1-CB 3.66Å; Y266-R268 HydrophobicContact CE1-CG 4.23Å; Y266-R268 PolarHBondContact O-N 3.46Å; Y266-R268 VanDerWaalsContact O-N 3.08Å; R268-T270 VanDerWaalsContact C-N 3.32Å; R268-T270 PolarHBondContact O-N 3.26Å; R268-F410 HydrophobicContact CB-CE1 3.9Å; R268-F410 HydrophobicContact CB-CZ 3.88Å; R268-F410 HydrophobicContact CG-CE1 4.31Å; R268-N429 PolarHBondContact NH1-OD1 3.49Å; R268-N429 PolarHBondContact NH2-OD1 2.8Å; R268-D432 WeakPolarHBondContact CD-OD2 3.48Å; R268-D432 IonicContact CZ-OD2 3.98Å; R268-D432 IonicContact NE-OD2 2.73Å; R268-D432 IonicContact NH1-OD2 3.7Å; R268-D432 PolarHBondContact NH1-OD2 3.16Å
269	E	95.8	Very high	95.1	Very high	114 Å²	114	55.1 Å²	55.1	53%	0.533	30%	0.3	S	S	.	.			trans	-76.2	80.2	-177.9	-169.6	-165	-143.5	0	0	111.5	P272 K409	E269-P272 HydrophobicContact CG-CB 3.92Å; E269-K409 PolarHBondContact O-NZ 2.89Å; E269-K409 IonicContact OE2-NZ 2.89Å; E269-K409 PolarHBondContact OE2-NZ 3.09Å
270	T	97.5	Very high	95.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-84.2	-24	178.7	47.4	0	0	0	0	113.6	N260 S262 Y266 R268 P272 F410 D432 L435 V436	N260-T270 WeakPolarHBondContact O-CB 3.42Å; N260-T270 WeakPolarHBondContact O-CG2 3.02Å; N260-T270 PolarHBondContact O-OG1 3.11Å; S262-T270 PolarHBondContact N-OG1 3.3Å; Y266-T270 HydrophobicContact CD1-CG2 4.01Å; Y266-T270 HydrophobicContact CE1-CG2 3.86Å; R268-T270 VanDerWaalsContact C-N 3.32Å; R268-T270 PolarHBondContact O-N 3.26Å; T270-P272 WeakPolarHBondContact O-CD 3.45Å; T270-F410 HydrophobicContact CG2-CE2 4.09Å; T270-F410 HydrophobicContact CG2-CZ 4.45Å; T270-D432 HydrophobicContact CG2-CB 3.91Å; T270-L435 HydrophobicContact CG2-CB 4.42Å; T270-V436 WeakPolarHBondContact O-CA 3.37Å
271	N	97.7	Very high	95.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.			trans	-124.7	54.6	-177.7	-42.7	100.4	0	0	0	113.8	F261 S262 L263 R273 L274 A275 D439	F261-N271 VanDerWaalsContact CA-OD1 3.27Å; F261-N271 WeakPolarHBondContact CA-OD1 3.19Å; F261-N271 WeakPolarHBondContact CD1-ND2 3.49Å; F261-N271 WeakPolarHBondContact CD1-OD1 3.4Å; F261-N271 WeakPolarHBondContact CE1-ND2 3.28Å; S262-N271 PolarHBondContact N-OD1 3.35Å; S262-N271 WeakPolarHBondContact OG-CA 3.2Å; S262-N271 WeakPolarHBondContact OG-CB 3.5Å; S262-N271 PolarHBondContact OG-N 3.06Å; S262-N271 PolarHBondContact OG-OD1 2.9Å; L263-N271 HydrophobicContact CD1-CB 4.3Å; L263-N271 HydrophobicContact CG-CB 4.04Å; N271-R273 VanDerWaalsContact C-N 3.29Å; N271-R273 PolarHBondContact O-N 2.88Å; N271-L274 HydrophobicContact CB-CB 4.39Å; N271-A275 WeakPolarHBondContact O-CB 3.27Å; N271-A275 PolarHBondContact O-N 3.33Å; N271-D439 VanDerWaalsContact CA-CG 3.46Å; N271-D439 WeakPolarHBondContact CA-OD1 3.29Å; N271-D439 HydrophobicContact CB-CB 4.41Å; N271-D439 WeakPolarHBondContact CB-OD1 3.46Å
272	P	96.9	Very high	95.2	Very high	24 Å²	24	50.4 Å²	50.4	16%	0.156	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.3	-176.2	26.9	-35.5	0	0	0	114.8	E269 T270 K276 D439	E269-P272 HydrophobicContact CG-CB 3.92Å; T270-P272 WeakPolarHBondContact O-CD 3.45Å; P272-K276 WeakPolarHBondContact O-CE 3.2Å; P272-D439 VanDerWaalsContact CD-OD2 3.28Å; P272-D439 WeakPolarHBondContact CD-OD2 3.35Å
273	R	98	Very high	94.9	Very high	91 Å²	91	49.3 Å²	49.3	34%	0.343	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-49.6	-179.1	-59.4	163.1	-164.7	-97.2	1.3	110.2	N271 A275 K276 D277 D439 D443	N271-R273 VanDerWaalsContact C-N 3.29Å; N271-R273 PolarHBondContact O-N 2.88Å; R273-A275 PolarHBondContact O-N 3.19Å; R273-K276 WeakPolarHBondContact O-CA 3.4Å; R273-K276 WeakPolarHBondContact O-CB 3.43Å; R273-K276 PolarHBondContact O-N 3.37Å; R273-D277 PolarHBondContact O-N 3.36Å; R273-D439 VanDerWaalsContact CB-OD2 3.24Å; R273-D439 WeakPolarHBondContact CB-OD2 3.43Å; R273-D439 VanDerWaalsContact CD-OD2 3.28Å; R273-D439 WeakPolarHBondContact CD-OD2 3.43Å; R273-D439 WeakPolarHBondContact CG-OD2 3.1Å; R273-D439 PolarHBondContact N-OD1 3.33Å; R273-D439 PolarHBondContact N-OD2 3.26Å; R273-D439 IonicContact NE-OD2 3.33Å; R273-D443 HydrophobicContact CB-CB 3.75Å; R273-D443 WeakPolarHBondContact CD-OD2 3.17Å; R273-D443 HydrophobicContact CG-CB 4.48Å; R273-D443 IonicContact NH1-OD2 2.76Å
274	L	97.4	Very high	94.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61.5	-30.8	179.3	-66.6	173.8	0	0	0	112.9	L263 N271 K276 D277 V279 D439 V442 I446 L495	L263-L274 HydrophobicContact CD1-CB 4.16Å; N271-L274 HydrophobicContact CB-CB 4.39Å; L274-K276 PolarHBondContact O-N 3.41Å; L274-K276 VanDerWaalsContact O-N 3.11Å; L274-D277 PolarHBondContact O-N 2.73Å; L274-D277 VanDerWaalsContact O-N 3.13Å; L274-V279 HydrophobicContact CB-CG2 4.34Å; L274-V279 HydrophobicContact CD2-CG1 4.23Å; L274-D439 WeakPolarHBondContact CB-OD1 3.3Å; L274-D439 WeakPolarHBondContact CG-OD1 3.46Å; L274-D439 PolarHBondContact N-OD1 3.41Å; L274-V442 HydrophobicContact CD1-CB 4.15Å; L274-V442 HydrophobicContact CD1-CG1 4.27Å; L274-V442 HydrophobicContact CD2-CB 3.84Å; L274-V442 HydrophobicContact CD2-CG1 3.52Å; L274-V442 HydrophobicContact CG-CB 4.48Å; L274-I446 HydrophobicContact CD2-CD1 3.9Å; L274-L495 HydrophobicContact CD1-CD1 3.78Å
275	A	95.2	Very high	95.4	Very high	67 Å²	67	46.6 Å²	46.6	55%	0.554	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-58.2	-21.6	171.2	0	0	0	0	0	113.6	L263 N271 R273	L263-A275 HydrophobicContact CD2-CB 3.89Å; N271-A275 WeakPolarHBondContact O-CB 3.27Å; N271-A275 PolarHBondContact O-N 3.33Å; R273-A275 PolarHBondContact O-N 3.19Å
276	K	96.4	Very high	95.8	Very high	176 Å²	176	44.6 Å²	44.6	77%	0.765	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-99.5	-15.7	178.8	-58.1	173.2	-173.7	170.9	0	113.3	P272 R273 L274 N278	P272-K276 WeakPolarHBondContact O-CE 3.2Å; R273-K276 WeakPolarHBondContact O-CA 3.4Å; R273-K276 WeakPolarHBondContact O-CB 3.43Å; R273-K276 PolarHBondContact O-N 3.37Å; L274-K276 PolarHBondContact O-N 3.41Å; L274-K276 VanDerWaalsContact O-N 3.11Å; K276-N278 VanDerWaalsContact C-N 3.27Å; K276-N278 PolarHBondContact O-N 2.91Å
277	D	95	Very high	95.9	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.08	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.6	-176.9	-77	-48.2	0	0	0	114.6	R273 L274 V279 I446 K450 W497	R273-D277 PolarHBondContact O-N 3.36Å; L274-D277 PolarHBondContact O-N 2.73Å; L274-D277 VanDerWaalsContact O-N 3.13Å; D277-V279 VanDerWaalsContact C-N 3.28Å; D277-V279 HydrophobicContact CB-CG1 3.9Å; D277-V279 PolarHBondContact O-N 3.13Å; D277-I446 HydrophobicContact CB-CD1 3.92Å; D277-I446 HydrophobicContact CB-CG2 4.49Å; D277-K450 IonicContact OD1-NZ 3.66Å; D277-K450 PolarHBondContact OD1-NZ 3.28Å; D277-W497 VanDerWaalsContact O-CD1 3.26Å; D277-W497 PolarHBondContact O-NE1 2.69Å
278	N	91	Very high	96	Very high	110 Å²	110	37.1 Å²	37.1	59%	0.588	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	40.6	-178.6	-165.6	34.4	0	0	0	112.8	K276 Q510	K276-N278 VanDerWaalsContact C-N 3.27Å; K276-N278 PolarHBondContact O-N 2.91Å; N278-Q510 PolarHBondContact O-NE2 3.16Å
279	V	96.4	Very high	95.9	Very high	15 Å²	15	34.1 Å²	34.1	9%	0.091	18%	0.179	C	C	.	.			trans	-74.7	149.3	175.5	-57.3	0	0	0	0	111.6	L263 L274 D277 I446 L495 W497	L263-V279 HydrophobicContact CD1-CG2 4.14Å; L274-V279 HydrophobicContact CB-CG2 4.34Å; L274-V279 HydrophobicContact CD2-CG1 4.23Å; D277-V279 VanDerWaalsContact C-N 3.28Å; D277-V279 HydrophobicContact CB-CG1 3.9Å; D277-V279 PolarHBondContact O-N 3.13Å; V279-I446 HydrophobicContact CG1-CD1 3.76Å; V279-L495 HydrophobicContact CB-CD2 4.13Å; V279-L495 HydrophobicContact CG2-CD2 3.61Å; V279-W497 HydrophobicContact CG1-CB 4.15Å; V279-W497 HydrophobicContact CG1-CG 4.48Å
280	V	96.5	Very high	95.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.6	167.6	-174.9	0	0	0	0	108.2	F282 L495 L496 L513 A517	V280-F282 HydrophobicContact CB-CE2 4.09Å; V280-F282 HydrophobicContact CB-CZ 4.41Å; V280-F282 HydrophobicContact CG1-CD2 4.37Å; V280-F282 HydrophobicContact CG1-CE1 4.37Å; V280-F282 HydrophobicContact CG1-CE2 3.66Å; V280-F282 HydrophobicContact CG1-CZ 3.64Å; V280-L495 CarbonylContact O-C 3.57Å; V280-L495 WeakPolarHBondContact O-CA 3.5Å; V280-L496 HydrophobicContact CB-CB 4.37Å; V280-L496 PolarHBondContact N-O 2.89Å; V280-L496 PolarHBondContact O-N 3.36Å; V280-L513 HydrophobicContact CG1-CB 4.32Å; V280-L513 HydrophobicContact CG2-CB 4.13Å; V280-A517 HydrophobicContact CG1-CB 3.55Å
281	Y	96.8	Very high	95.6	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.02	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.1	179.2	177.2	-108.9	0	0	0	111.2	A258 F261 L263 N264 P283 P493 M494 L495 A517 Q518	A258-Y281 PolarHBondContact O-OH 2.99Å; F261-Y281 HydrophobicContact CB-CE2 4.23Å; F261-Y281 AromaticContact CD1-CE2 3.97Å; F261-Y281 HydrophobicContact CD1-CE2 3.97Å; F261-Y281 HydrophobicContact CG-CE2 4.32Å; L263-Y281 HydrophobicContact CB-CD1 3.75Å; L263-Y281 HydrophobicContact CB-CD2 4.26Å; L263-Y281 HydrophobicContact CB-CE1 4.2Å; L263-Y281 HydrophobicContact CB-CG 3.78Å; L263-Y281 HydrophobicContact CD1-CD2 4.23Å; L263-Y281 HydrophobicContact CD1-CG 4.24Å; N264-Y281 HydrophobicContact CB-CE1 3.55Å; Y281-P283 HydrophobicContact CD1-CB 4.31Å; Y281-P283 HydrophobicContact CE1-CB 3.74Å; Y281-P283 WeakPolarHBondContact O-CD 3.29Å; Y281-P493 HydrophobicContact CE2-CB 3.95Å; Y281-M494 WeakPolarHBondContact CD2-O 3.47Å; Y281-L495 HydrophobicContact CD2-CD2 3.55Å; Y281-L495 HydrophobicContact CD2-CG 3.93Å; Y281-L495 HydrophobicContact CG-CD2 4.15Å; Y281-A517 WeakPolarHBondContact O-CB 3.38Å; Y281-Q518 PolarHBondContact O-NE2 3.34Å
282	F	96.1	Very high	95.2	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	90.9	-177.7	-61.2	-97.2	0	0	0	109.8	V280 N284 T285 M494 L496 A517 Y522 I548	V280-F282 HydrophobicContact CB-CE2 4.09Å; V280-F282 HydrophobicContact CB-CZ 4.41Å; V280-F282 HydrophobicContact CG1-CD2 4.37Å; V280-F282 HydrophobicContact CG1-CE1 4.37Å; V280-F282 HydrophobicContact CG1-CE2 3.66Å; V280-F282 HydrophobicContact CG1-CZ 3.64Å; F282-N284 VanDerWaalsContact C-N 3.32Å; F282-N284 PolarHBondContact O-N 3.19Å; F282-T285 WeakPolarHBondContact CB-OG1 3.26Å; F282-T285 PolarHBondContact O-OG1 2.84Å; F282-M494 HydrophobicContact CB-CB 4.05Å; F282-M494 HydrophobicContact CB-CE 3.56Å; F282-M494 HydrophobicContact CB-CG 4.47Å; F282-M494 HydrophobicContact CD1-CE 3.67Å; F282-M494 HydrophobicContact CD2-CB 4.46Å; F282-M494 HydrophobicContact CD2-CE 3.74Å; F282-M494 HydrophobicContact CD2-CG 4.11Å; F282-M494 HydrophobicContact CE1-CE 4.29Å; F282-M494 HydrophobicContact CE2-CE 4.34Å; F282-M494 HydrophobicContact CG-CE 3.37Å; F282-M494 HydrophobicContact CG-CG 4.5Å; F282-M494 PolarHBondContact N-O 3.48Å; F282-L496 HydrophobicContact CE2-CB 3.75Å; F282-L496 HydrophobicContact CZ-CB 4.44Å; F282-A517 HydrophobicContact CD1-CB 3.43Å; F282-A517 VanDerWaalsContact CD1-CB 3.43Å; F282-A517 HydrophobicContact CD2-CB 4.42Å; F282-A517 HydrophobicContact CE1-CB 3.5Å; F282-A517 HydrophobicContact CE2-CB 4.47Å; F282-A517 HydrophobicContact CG-CB 3.91Å; F282-A517 HydrophobicContact CZ-CB 4.04Å; F282-Y522 AromaticContact CD1-CD2 3.57Å; F282-Y522 HydrophobicContact CD1-CD2 3.57Å; F282-Y522 AromaticContact CD1-CE2 3.48Å; F282-Y522 HydrophobicContact CD1-CE2 3.48Å; F282-Y522 VanDerWaalsContact CD1-CE2 3.48Å; F282-Y522 HydrophobicContact CD1-CG 4.21Å; F282-Y522 HydrophobicContact CE1-CD2 4.3Å; F282-Y522 AromaticContact CE1-CE2 3.85Å; F282-Y522 HydrophobicContact CE1-CE2 3.85Å; F282-Y522 AromaticContact CE1-CZ 3.98Å; F282-Y522 HydrophobicContact CG-CD2 4.48Å; F282-I548 HydrophobicContact CE1-CG2 3.55Å; F282-I548 HydrophobicContact CZ-CG2 3.51Å
283	P	90.7	Very high	94.9	Very high	6 Å²	6	29 Å²	29	4%	0.039	16%	0.156	C	C	.	.	S	Bend	trans	-65.5	-30.2	-172.7	25.1	-36.9	0	0	0	114.6	N264 Y281 A517	N264-P283 HydrophobicContact CB-CB 4.46Å; N264-P283 VanDerWaalsContact CG-CB 3.43Å; N264-P283 WeakPolarHBondContact OD1-CB 3.48Å; Y281-P283 HydrophobicContact CD1-CB 4.31Å; Y281-P283 HydrophobicContact CE1-CB 3.74Å; Y281-P283 WeakPolarHBondContact O-CD 3.29Å; P283-A517 WeakPolarHBondContact CD-O 3.29Å
284	N	94.1	Very high	94.5	Very high	58 Å²	58	25.9 Å²	25.9	31%	0.31	15%	0.147	S	C	.	.	S	Bend	trans	-105.6	69.8	-175.6	-62.3	-42.9	0	0	0	110.3	F282 Y522	F282-N284 VanDerWaalsContact C-N 3.32Å; F282-N284 PolarHBondContact O-N 3.19Å; N284-Y522 PolarHBondContact O-N 2.9Å
285	T	97.8	Very high	94.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.9	179.1	-50.2	0	0	0	0	110.7	F282 L463 Q491 V492 M494 Y522	F282-T285 WeakPolarHBondContact CB-OG1 3.26Å; F282-T285 PolarHBondContact O-OG1 2.84Å; T285-L463 HydrophobicContact CG2-CD1 4.07Å; T285-Q491 WeakPolarHBondContact O-CA 3.4Å; T285-Q491 PolarHBondContact O-OE1 3.17Å; T285-V492 WeakPolarHBondContact CB-O 3.39Å; T285-V492 HydrophobicContact CG2-CG2 4.13Å; T285-V492 WeakPolarHBondContact O-CG2 3.31Å; T285-V492 PolarHBondContact O-N 2.86Å; T285-M494 HydrophobicContact CG2-CB 3.94Å; T285-M494 HydrophobicContact CG2-CE 4.17Å; T285-M494 HydrophobicContact CG2-SD 4.16Å; T285-Y522 WeakPolarHBondContact CA-O 3.21Å
286	A	98.1	Very high	94.4	Very high	21 Å²	21	22.6 Å²	22.6	17%	0.174	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.6	178.5	0	0	0	0	0	112.7	K490 Y522 S523 Q524	A286-K490 CarbonylContact C-O 3.57Å; A286-K490 WeakPolarHBondContact CA-O 3.48Å; A286-Y522 PolarHBondContact N-O 3.19Å; A286-S523 CarbonylContact O-C 3.45Å; A286-S523 WeakPolarHBondContact O-CA 3.3Å; A286-S523 WeakPolarHBondContact O-CB 3.35Å; A286-Q524 PolarHBondContact O-N 2.81Å
287	S	97.9	Very high	94.3	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	9%	0.086	C	C	.	.			trans	-80.1	154.5	170.9	63	0	0	0	0	112.3	G289 D465 Y482 K490	S287-G289 VanDerWaalsContact CB-O 3.31Å; S287-G289 WeakPolarHBondContact CB-O 3.39Å; S287-G289 PolarHBondContact OG-O 3.3Å; S287-D465 VanDerWaalsContact CB-O 3.31Å; S287-D465 WeakPolarHBondContact CB-O 3.27Å; S287-Y482 VanDerWaalsContact O-CE2 3.22Å; S287-Y482 WeakPolarHBondContact O-CE2 3.31Å; S287-Y482 PolarHBondContact O-OH 3.37Å; S287-K490 PolarHBondContact N-O 2.99Å; S287-K490 PolarHBondContact OG-O 3.33Å
288	C	95.1	Very high	94.3	Very high	7 Å²	7	14 Å²	14	5%	0.047	8%	0.083	C	C	.	.	S	Bend	trans	-66	-41.3	170.9	-81	0	0	0	0	112	C298 R305	C288-C298 HydrophobicContact CB-CB 3.34Å; C288-C298 WeakPolarHBondContact CB-SG 3.28Å; C288-C298 WeakPolarHBondContact SG-CB 3.27Å; C288-C298 CovalentContact SG-SG 2.04Å; C288-C298 PolarHBondContact SG-SG 2.88Å; C288-R305 HydrophobicContact CB-CG 4.4Å; C288-R305 VanDerWaalsContact O-CD 3.31Å; C288-R305 WeakPolarHBondContact O-CD 3.48Å; C288-R305 VanDerWaalsContact O-CG 3.3Å; C288-R305 WeakPolarHBondContact O-CG 3.23Å
289	G	93.6	Very high	94.6	Very high	4 Å²	4	8.9 Å²	8.9	4%	0.041	6%	0.056	C	C	.	.			trans	-138.2	-173.7	-176.9	0	0	0	0	0	112.5	S287 S295	S287-G289 VanDerWaalsContact CB-O 3.31Å; S287-G289 WeakPolarHBondContact CB-O 3.39Å; S287-G289 PolarHBondContact OG-O 3.3Å; G289-S295 VanDerWaalsContact C-OG 3.27Å; G289-S295 WeakPolarHBondContact CA-OG 3.49Å; G289-S295 PolarHBondContact N-OG 3.32Å; G289-S295 VanDerWaalsContact N-OG 3.12Å; G289-S295 PolarHBondContact O-OG 2.67Å
290	T	93.8	Very high	94.6	Very high	9 Å²	9	8.4 Å²	8.4	6%	0.055	5%	0.052	C	C	.	.	S	Bend	trans	-119	13	179	51.5	0	0	0	0	111	H466 H478 G479 L480 Y482 A485 Q489	T290-H466 VanDerWaalsContact C-CD2 3.44Å; T290-H478 WeakPolarHBondContact O-CB 3.31Å; T290-G479 VanDerWaalsContact O-CA 3.29Å; T290-G479 WeakPolarHBondContact O-CA 3.3Å; T290-G479 PolarHBondContact O-N 2.91Å; T290-L480 WeakPolarHBondContact CB-O 3.35Å; T290-L480 PolarHBondContact OG1-O 3.24Å; T290-Y482 HydrophobicContact CG2-CD2 4.09Å; T290-A485 HydrophobicContact CG2-CB 3.49Å; T290-A485 VanDerWaalsContact CG2-CB 3.49Å; T290-Q489 HydrophobicContact CG2-CB 4.13Å
291	A	92.6	Very high	94.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.008	6%	0.056	C	C	.	.	S	Bend	trans	-147.6	141.3	179.8	0	0	0	0	0	109	N117 A293 V294 S295 H466	N117-A291 WeakPolarHBondContact ND2-CB 3.33Å; A291-A293 PolarHBondContact O-N 2.88Å; A291-V294 PolarHBondContact O-N 3.13Å; A291-S295 PolarHBondContact O-N 3.46Å; A291-H466 VanDerWaalsContact C-NE2 3.31Å; A291-H466 WeakPolarHBondContact CA-CD2 3.43Å; A291-H466 WeakPolarHBondContact CA-NE2 3.05Å; A291-H466 PolarHBondContact N-CD2 3Å
292	T	90.8	Very high	94.4	Very high	12 Å²	12	10.5 Å²	10.5	7%	0.074	7%	0.065	C	C	.	.	H	α-helix	trans	-51.5	-40.8	179.8	-35.9	0	0	0	0	112.1	E254 V294 S295 V296 K340 D465 H466	E254-T292 PolarHBondContact OE1-OG1 3.36Å; E254-T292 VanDerWaalsContact OE1-OG1 3.13Å; E254-T292 PolarHBondContact OE2-OG1 3.09Å; E254-T292 VanDerWaalsContact OE2-OG1 3.12Å; T292-V294 PolarHBondContact O-N 3.12Å; T292-V294 VanDerWaalsContact O-N 3.1Å; T292-S295 PolarHBondContact O-N 3.04Å; T292-V296 HydrophobicContact CG2-CB 4.5Å; T292-V296 HydrophobicContact CG2-CG2 3.58Å; T292-V296 WeakPolarHBondContact O-CB 3.47Å; T292-V296 PolarHBondContact O-N 3.08Å; T292-K340 HydrophobicContact CG2-CG 4.31Å; T292-D465 WeakPolarHBondContact CA-OD2 3.33Å; T292-D465 PolarHBondContact OG1-OD2 2.84Å; T292-D465 VanDerWaalsContact OG1-OD2 3.14Å; T292-H466 PolarHBondContact N-CD2 2.9Å; T292-H466 VanDerWaalsContact N-CD2 3.31Å; T292-H466 PolarHBondContact N-NE2 3.41Å
293	A	88.9	Confident	94.3	Very high	8 Å²	8	11.4 Å²	11.4	7%	0.066	7%	0.069	C	C	.	.	H	α-helix	trans	-59.9	-21.2	178.6	0	0	0	0	0	114.3	A291	A291-A293 PolarHBondContact O-N 2.88Å
294	V	91.4	Very high	94.4	Very high	26 Å²	26	13.6 Å²	13.6	16%	0.158	8%	0.084	C	C	.	.	H	α-helix	trans	-103.4	-46.3	176.2	179.3	0	0	0	0	110.9	A291 T292 C298 Y308	A291-V294 PolarHBondContact O-N 3.13Å; T292-V294 PolarHBondContact O-N 3.12Å; T292-V294 VanDerWaalsContact O-N 3.1Å; V294-C298 WeakPolarHBondContact O-CB 3.47Å; V294-C298 PolarHBondContact O-N 3.23Å; V294-Y308 HydrophobicContact CG1-CE1 4.05Å
295	S	94.9	Very high	94.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.8	-44.4	-172.3	-70.2	0	0	0	0	113.2	G289 A291 T292 C298 M299 D465	G289-S295 VanDerWaalsContact C-OG 3.27Å; G289-S295 WeakPolarHBondContact CA-OG 3.49Å; G289-S295 PolarHBondContact N-OG 3.32Å; G289-S295 VanDerWaalsContact N-OG 3.12Å; G289-S295 PolarHBondContact O-OG 2.67Å; A291-S295 PolarHBondContact O-N 3.46Å; T292-S295 PolarHBondContact O-N 3.04Å; S295-C298 PolarHBondContact O-N 2.73Å; S295-M299 WeakPolarHBondContact O-CG 3.47Å; S295-M299 PolarHBondContact O-N 3.38Å; S295-D465 WeakPolarHBondContact CB-O 3.49Å; S295-D465 PolarHBondContact OG-O 3.28Å
296	V	95	Very high	93.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-52.5	-177	174.2	0	0	0	0	111	V252 T292 C298 M299 F300 W332 A342 D465	V252-V296 HydrophobicContact CG1-CG2 4.29Å; T292-V296 HydrophobicContact CG2-CB 4.5Å; T292-V296 HydrophobicContact CG2-CG2 3.58Å; T292-V296 WeakPolarHBondContact O-CB 3.47Å; T292-V296 PolarHBondContact O-N 3.08Å; V296-C298 PolarHBondContact O-N 3.07Å; V296-M299 HydrophobicContact CG2-CE 4.43Å; V296-M299 WeakPolarHBondContact O-CG 3.34Å; V296-M299 PolarHBondContact O-N 3.49Å; V296-F300 HydrophobicContact CG1-CD2 4.21Å; V296-F300 HydrophobicContact CG1-CE2 4.26Å; V296-F300 VanDerWaalsContact O-CD2 3.3Å; V296-F300 WeakPolarHBondContact O-CD2 3.47Å; V296-F300 PolarHBondContact O-N 2.86Å; V296-W332 HydrophobicContact CG1-CH2 4.13Å; V296-A342 HydrophobicContact CG1-CB 3.89Å; V296-D465 HydrophobicContact CG2-CB 4.16Å
297	P	94.1	Very high	93.4	Very high	8 Å²	8	28 Å²	28	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-31.8	178.2	-21.3	34.2	0	0	0	113	S301 A313 K340	P297-S301 WeakPolarHBondContact O-CB 3.44Å; P297-S301 PolarHBondContact O-N 3.34Å; P297-A313 HydrophobicContact CB-CB 4.3Å; P297-K340 HydrophobicContact CG-CB 4.07Å; P297-K340 WeakPolarHBondContact CG-O 3.23Å
298	C	95.5	Very high	93.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-51.5	177.7	-177.9	0	0	0	0	113.1	C288 V294 S295 V296 F300 S301 Y308	C288-C298 HydrophobicContact CB-CB 3.34Å; C288-C298 WeakPolarHBondContact CB-SG 3.28Å; C288-C298 WeakPolarHBondContact SG-CB 3.27Å; C288-C298 CovalentContact SG-SG 2.04Å; C288-C298 PolarHBondContact SG-SG 2.88Å; V294-C298 WeakPolarHBondContact O-CB 3.47Å; V294-C298 PolarHBondContact O-N 3.23Å; S295-C298 PolarHBondContact O-N 2.73Å; V296-C298 PolarHBondContact O-N 3.07Å; C298-F300 PolarHBondContact O-N 2.97Å; C298-F300 VanDerWaalsContact O-N 3.16Å; C298-S301 WeakPolarHBondContact O-CB 3.34Å; C298-S301 PolarHBondContact O-N 3.5Å; C298-S301 PolarHBondContact O-OG 2.81Å; C298-Y308 HydrophobicContact CB-CD1 4.46Å; C298-Y308 HydrophobicContact CB-CD2 3.69Å; C298-Y308 HydrophobicContact CB-CE1 4.27Å; C298-Y308 HydrophobicContact CB-CE2 3.47Å; C298-Y308 VanDerWaalsContact CB-CE2 3.47Å; C298-Y308 HydrophobicContact CB-CG 4.18Å; C298-Y308 VanDerWaalsContact SG-CD2 3.59Å
299	M	96.1	Very high	92.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-23.1	-175.2	71.7	173	74	0	0	113.6	V252 S295 V296 L463 D465 Q524 L527	V252-M299 HydrophobicContact CG1-CE 4.5Å; V252-M299 HydrophobicContact CG1-SD 4.36Å; S295-M299 WeakPolarHBondContact O-CG 3.47Å; S295-M299 PolarHBondContact O-N 3.38Å; V296-M299 HydrophobicContact CG2-CE 4.43Å; V296-M299 WeakPolarHBondContact O-CG 3.34Å; V296-M299 PolarHBondContact O-N 3.49Å; M299-L463 HydrophobicContact SD-CD2 4.32Å; M299-D465 HydrophobicContact CE-CB 4.03Å; M299-Q524 HydrophobicContact CB-CB 3.81Å; M299-Q524 HydrophobicContact CB-CG 4.02Å; M299-Q524 HydrophobicContact CE-CG 4.28Å; M299-L527 HydrophobicContact CB-CD2 3.96Å; M299-L527 HydrophobicContact CG-CD2 3.85Å; M299-L527 HydrophobicContact SD-CD2 3.84Å
300	F	97.2	Very high	92.1	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.8	175.8	-72.8	-83.7	0	0	0	113.5	L250 V252 V296 C298 G318 V319 L320 W332 A342 V388 F528 L531	L250-F300 HydrophobicContact CD2-CE1 3.56Å; L250-F300 HydrophobicContact CD2-CZ 3.48Å; L250-F300 VanDerWaalsContact CD2-CZ 3.48Å; V252-F300 HydrophobicContact CG2-CE2 4Å; V252-F300 HydrophobicContact CG2-CZ 3.84Å; V296-F300 HydrophobicContact CG1-CD2 4.21Å; V296-F300 HydrophobicContact CG1-CE2 4.26Å; V296-F300 VanDerWaalsContact O-CD2 3.3Å; V296-F300 WeakPolarHBondContact O-CD2 3.47Å; V296-F300 PolarHBondContact O-N 2.86Å; C298-F300 PolarHBondContact O-N 2.97Å; C298-F300 VanDerWaalsContact O-N 3.16Å; F300-G318 CarbonylContact O-C 3.57Å; F300-G318 WeakPolarHBondContact O-CA 3.42Å; F300-V319 HydrophobicContact CB-CG1 4.32Å; F300-V319 HydrophobicContact CD1-CG1 3.64Å; F300-V319 HydrophobicContact CG-CG1 4.43Å; F300-V319 PolarHBondContact O-N 2.75Å; F300-L320 HydrophobicContact CD1-CD1 4Å; F300-L320 HydrophobicContact CD1-CD2 4.36Å; F300-L320 HydrophobicContact CD1-CG 3.81Å; F300-L320 HydrophobicContact CE1-CD1 3.81Å; F300-L320 HydrophobicContact CE1-CD2 4.09Å; F300-L320 HydrophobicContact CE1-CG 3.89Å; F300-W332 HydrophobicContact CD2-CH2 4.49Å; F300-W332 HydrophobicContact CD2-CZ3 4.42Å; F300-W332 HydrophobicContact CE1-CZ3 4.06Å; F300-W332 AromaticContact CE2-CH2 3.71Å; F300-W332 HydrophobicContact CE2-CH2 3.71Å; F300-W332 AromaticContact CE2-CZ3 3.73Å; F300-W332 HydrophobicContact CE2-CZ3 3.73Å; F300-W332 AromaticContact CZ-CH2 3.88Å; F300-W332 HydrophobicContact CZ-CH2 3.88Å; F300-W332 AromaticContact CZ-CZ3 3.52Å; F300-W332 HydrophobicContact CZ-CZ3 3.52Å; F300-A342 HydrophobicContact CB-CB 4.37Å; F300-A342 HydrophobicContact CD2-CB 3.95Å; F300-A342 HydrophobicContact CG-CB 4.23Å; F300-V388 HydrophobicContact CZ-CG1 4.32Å; F300-F528 WeakPolarHBondContact O-CD2 3.46Å; F300-L531 HydrophobicContact CE1-CD1 4.44Å
301	S	95.8	Very high	91.4	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.07	19%	0.189	C	C	.	.	S	Bend	trans	-93.1	162.6	178	77.7	0	0	0	0	112.5	P297 C298 M303 F528	P297-S301 WeakPolarHBondContact O-CB 3.44Å; P297-S301 PolarHBondContact O-N 3.34Å; C298-S301 WeakPolarHBondContact O-CB 3.34Å; C298-S301 PolarHBondContact O-N 3.5Å; C298-S301 PolarHBondContact O-OG 2.81Å; S301-M303 PolarHBondContact O-N 3.49Å; S301-M303 PolarHBondContact OG-N 3.34Å; S301-F528 WeakPolarHBondContact O-CD2 3.41Å
302	D	93.1	Very high	91	Very high	40 Å²	40	42 Å²	42	21%	0.214	20%	0.202	C	C	.	.	S	Bend	trans	-80.2	2	172.9	70.4	-39.1	0	0	0	112.9	I229 Q316 F528 Y541	I229-D302 HydrophobicContact CD1-CB 4.2Å; D302-Q316 PolarHBondContact OD1-NE2 3.49Å; D302-F528 HydrophobicContact CB-CD1 4.49Å; D302-F528 HydrophobicContact CB-CD2 4.34Å; D302-F528 HydrophobicContact CB-CE1 4.03Å; D302-F528 HydrophobicContact CB-CE2 3.87Å; D302-F528 HydrophobicContact CB-CZ 3.7Å; D302-Y541 HydrophobicContact CB-CD1 4.32Å; D302-Y541 WeakPolarHBondContact OD2-CD1 3.22Å
303	M	93.7	Very high	90.8	Very high	20 Å²	20	42 Å²	42	10%	0.099	20%	0.203	C	C	.	.	S	Bend	trans	-94.6	123.6	-175.2	-68.1	177.1	-83.2	0	0	111	S301 Y308 K309 L312 A313	S301-M303 PolarHBondContact O-N 3.49Å; S301-M303 PolarHBondContact OG-N 3.34Å; M303-Y308 HydrophobicContact CB-CD2 4.35Å; M303-Y308 HydrophobicContact CE-CD2 4.4Å; M303-Y308 HydrophobicContact CE-CE2 4.47Å; M303-K309 HydrophobicContact SD-CB 4.35Å; M303-L312 HydrophobicContact CE-CB 4.41Å; M303-L312 HydrophobicContact CE-CD2 4.38Å; M303-L312 HydrophobicContact CE-CG 4.22Å; M303-L312 HydrophobicContact SD-CB 4.46Å; M303-L312 HydrophobicContact SD-CD2 3.85Å; M303-L312 HydrophobicContact SD-CG 4.29Å; M303-A313 HydrophobicContact CE-CB 3.74Å
304	P	92.2	Very high	90.5	Very high	52 Å²	52	45.1 Å²	45.1	34%	0.338	22%	0.216	S	C	.	.			trans	-68.5	151	171.1	29.1	-34.1	0	0	0	110.7	E306 H307 Y308 D525	P304-E306 PolarHBondContact O-N 3.01Å; P304-H307 HydrophobicContact CG-CB 4.4Å; P304-H307 CarbonylContact O-C 3.59Å; P304-H307 PolarHBondContact O-N 3.46Å; P304-Y308 PolarHBondContact O-N 3.2Å; P304-D525 VanDerWaalsContact CA-CG 3.47Å; P304-D525 WeakPolarHBondContact CA-OD2 3.37Å; P304-D525 HydrophobicContact CB-CB 4.39Å; P304-D525 WeakPolarHBondContact CB-OD2 3.39Å
305	R	92.7	Very high	90.1	Very high	101 Å²	101	45.3 Å²	45.3	38%	0.381	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-48.4	-40.6	-177.9	-173.3	-164.1	66.8	69	7.5	113.5	C288 H307 Y308 D525	C288-R305 HydrophobicContact CB-CG 4.4Å; C288-R305 VanDerWaalsContact O-CD 3.31Å; C288-R305 WeakPolarHBondContact O-CD 3.48Å; C288-R305 VanDerWaalsContact O-CG 3.3Å; C288-R305 WeakPolarHBondContact O-CG 3.23Å; R305-H307 PolarHBondContact O-N 3.01Å; R305-Y308 WeakPolarHBondContact O-CB 3.37Å; R305-Y308 PolarHBondContact O-N 3.26Å; R305-D525 VanDerWaalsContact N-CG 3.33Å; R305-D525 PolarHBondContact N-OD1 2.82Å; R305-D525 PolarHBondContact N-OD2 3.19Å; R305-D525 VanDerWaalsContact N-OD2 3.08Å
306	E	89.1	Confident	89.9	Confident	154 Å²	154	46 Å²	46	72%	0.72	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-60.6	-28.7	-178.9	-172.4	174	179.3	0	0	113.1	P304	P304-E306 PolarHBondContact O-N 3.01Å
307	H	88.5	Confident	89.9	Confident	125 Å²	125	46.6 Å²	46.6	58%	0.579	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-117.3	9.8	-179.6	-60.5	-30.8	0	0	0	113.2	P304 R305 K309	P304-H307 HydrophobicContact CG-CB 4.4Å; P304-H307 CarbonylContact O-C 3.59Å; P304-H307 PolarHBondContact O-N 3.46Å; R305-H307 PolarHBondContact O-N 3.01Å; H307-K309 PolarHBondContact O-N 3.39Å
308	Y	90.7	Very high	90	Very high	40 Å²	40	46.7 Å²	46.7	16%	0.157	22%	0.223	C	C	.	.			trans	-61.7	131.3	-178.6	177.8	-105.7	0	0	0	111.7	V294 C298 M303 P304 R305 E310 A313	V294-Y308 HydrophobicContact CG1-CE1 4.05Å; C298-Y308 HydrophobicContact CB-CD1 4.46Å; C298-Y308 HydrophobicContact CB-CD2 3.69Å; C298-Y308 HydrophobicContact CB-CE1 4.27Å; C298-Y308 HydrophobicContact CB-CE2 3.47Å; C298-Y308 VanDerWaalsContact CB-CE2 3.47Å; C298-Y308 HydrophobicContact CB-CG 4.18Å; C298-Y308 VanDerWaalsContact SG-CD2 3.59Å; M303-Y308 HydrophobicContact CB-CD2 4.35Å; M303-Y308 HydrophobicContact CE-CD2 4.4Å; M303-Y308 HydrophobicContact CE-CE2 4.47Å; P304-Y308 PolarHBondContact O-N 3.2Å; R305-Y308 WeakPolarHBondContact O-CB 3.37Å; R305-Y308 PolarHBondContact O-N 3.26Å; Y308-E310 HydrophobicContact CE1-CB 4.01Å; Y308-A313 HydrophobicContact CD2-CB 4.39Å; Y308-A313 HydrophobicContact CE2-CB 3.33Å; Y308-A313 WeakPolarHBondContact OH-CB 3.46Å
309	K	87.6	Confident	90.1	Very high	135 Å²	135	46.6 Å²	46.6	59%	0.587	22%	0.223	S	C	*	.			trans	-121.2	104.4	176	-68.6	176.5	-173.9	172.2	0	108.9	M303 H307 E311 L312 A313	M303-K309 HydrophobicContact SD-CB 4.35Å; H307-K309 PolarHBondContact O-N 3.39Å; K309-E311 PolarHBondContact O-N 3.39Å; K309-L312 HydrophobicContact CB-CB 3.9Å; K309-L312 PolarHBondContact O-N 2.94Å; K309-A313 PolarHBondContact O-N 3.07Å
310	E	81	Confident	90.2	Very high	34 Å²	34	46.5 Å²	46.5	16%	0.159	22%	0.222	C	C	.	.	H	α-helix	trans	-48.7	-44.1	179	-170.4	-178.6	172.2	0	0	112.8	R112 Y308 L312 A313 Q314	R112-E310 IonicContact CZ-OE2 3.95Å; R112-E310 IonicContact NE-OE2 3.41Å; R112-E310 PolarHBondContact NE-OE2 3.15Å; R112-E310 IonicContact NH2-OE2 2.77Å; R112-E310 PolarHBondContact NH2-OE2 3.38Å; Y308-E310 HydrophobicContact CE1-CB 4.01Å; E310-L312 PolarHBondContact O-N 3.42Å; E310-A313 PolarHBondContact O-N 3.25Å; E310-Q314 PolarHBondContact O-N 2.94Å
311	E	78.9	Confident	90.2	Very high	57 Å²	57	46.7 Å²	46.7	27%	0.266	22%	0.224	S	C	.	.	H	α-helix	trans	-64.8	-39.9	179.2	-62.7	175.2	174.1	0	0	113	H218 L221 K309 H315	H218-E311 WeakPolarHBondContact CA-OE1 3.38Å; H218-E311 HydrophobicContact CB-CG 4.49Å; H218-E311 VanDerWaalsContact CB-OE1 3.23Å; H218-E311 WeakPolarHBondContact CB-OE1 3.34Å; H218-E311 IonicContact CD2-OE1 2.63Å; H218-E311 PolarHBondContact CD2-OE1 3.3Å; H218-E311 IonicContact CG-OE1 2.96Å; H218-E311 VanDerWaalsContact CG-OE1 3.23Å; L221-E311 WeakPolarHBondContact CD1-OE1 3.46Å; L221-E311 VanDerWaalsContact CD1-OE2 3.3Å; L221-E311 WeakPolarHBondContact CD1-OE2 3.34Å; K309-E311 PolarHBondContact O-N 3.39Å; E311-H315 PolarHBondContact O-ND1 3.07Å
312	L	84.8	Confident	90.2	Very high	52 Å²	52	46.2 Å²	46.2	27%	0.272	22%	0.22	S	C	.	.	H	α-helix	trans	-74	-40.2	179.7	179.1	60.1	0	0	0	110.4	V227 M303 K309 E310 Q314 H315 Q316	V227-L312 HydrophobicContact CG2-CD1 4.1Å; M303-L312 HydrophobicContact CE-CB 4.41Å; M303-L312 HydrophobicContact CE-CD2 4.38Å; M303-L312 HydrophobicContact CE-CG 4.22Å; M303-L312 HydrophobicContact SD-CB 4.46Å; M303-L312 HydrophobicContact SD-CD2 3.85Å; M303-L312 HydrophobicContact SD-CG 4.29Å; K309-L312 HydrophobicContact CB-CB 3.9Å; K309-L312 PolarHBondContact O-N 2.94Å; E310-L312 PolarHBondContact O-N 3.42Å; L312-Q314 VanDerWaalsContact C-N 3.3Å; L312-Q314 PolarHBondContact O-N 3.17Å; L312-H315 CarbonylContact O-C 3.5Å; L312-H315 WeakPolarHBondContact O-CA 3.44Å; L312-H315 PolarHBondContact O-N 3.08Å; L312-Q316 HydrophobicContact CD1-CB 4.3Å; L312-Q316 HydrophobicContact CG-CB 4.38Å; L312-Q316 VanDerWaalsContact CG-OE1 3.26Å; L312-Q316 WeakPolarHBondContact O-CB 3.04Å; L312-Q316 PolarHBondContact O-N 3.42Å
313	A	86.3	Confident	90.5	Very high	11 Å²	11	44.3 Å²	44.3	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-38.7	-177.7	0	0	0	0	0	112.9	P297 M303 Y308 K309 E310 H315	P297-A313 HydrophobicContact CB-CB 4.3Å; M303-A313 HydrophobicContact CE-CB 3.74Å; Y308-A313 HydrophobicContact CD2-CB 4.39Å; Y308-A313 HydrophobicContact CE2-CB 3.33Å; Y308-A313 WeakPolarHBondContact OH-CB 3.46Å; K309-A313 PolarHBondContact O-N 3.07Å; E310-A313 PolarHBondContact O-N 3.25Å; A313-H315 PolarHBondContact O-N 3.11Å
314	Q	80.9	Confident	90.6	Very high	73 Å²	73	46.7 Å²	46.7	34%	0.341	22%	0.221	S	C	.	.	H	α-helix	trans	-68.4	-22.8	174.2	-68.5	-179	-9.7	0	0	113.2	E310 L312	E310-Q314 PolarHBondContact O-N 2.94Å; L312-Q314 VanDerWaalsContact C-N 3.3Å; L312-Q314 PolarHBondContact O-N 3.17Å
315	H	84.6	Confident	90.8	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.139	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	20.6	-176.8	-59.7	82.1	0	0	0	112.6	A222 L224 L226 V227 E311 L312 A313	A222-H315 VanDerWaalsContact CA-CE1 3.45Å; A222-H315 WeakPolarHBondContact CA-CE1 3.15Å; A222-H315 WeakPolarHBondContact CA-NE2 3.49Å; A222-H315 PolarHBondContact O-NE2 3.26Å; L224-H315 HydrophobicContact CB-CB 4.33Å; L224-H315 PolarHBondContact O-CD2 3.36Å; L226-H315 CarbonylContact C-O 3.59Å; L226-H315 WeakPolarHBondContact CA-O 3.24Å; V227-H315 PolarHBondContact N-O 2.95Å; E311-H315 PolarHBondContact O-ND1 3.07Å; L312-H315 CarbonylContact O-C 3.5Å; L312-H315 WeakPolarHBondContact O-CA 3.44Å; L312-H315 PolarHBondContact O-N 3.08Å; A313-H315 PolarHBondContact O-N 3.11Å
316	Q	91	Very high	90.9	Very high	14 Å²	14	44 Å²	44	7%	0.065	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-127.8	143.2	177.1	-172.5	177.8	-20.6	0	0	108.5	V227 I229 D302 L312 R345	V227-Q316 HydrophobicContact CB-CB 4.37Å; V227-Q316 HydrophobicContact CB-CG 4.19Å; V227-Q316 HydrophobicContact CG1-CG 4.34Å; V227-Q316 WeakPolarHBondContact O-CA 3.39Å; I229-Q316 HydrophobicContact CG1-CG 4.35Å; I229-Q316 HydrophobicContact CG2-CG 4.05Å; D302-Q316 PolarHBondContact OD1-NE2 3.49Å; L312-Q316 HydrophobicContact CD1-CB 4.3Å; L312-Q316 HydrophobicContact CG-CB 4.38Å; L312-Q316 VanDerWaalsContact CG-OE1 3.26Å; L312-Q316 WeakPolarHBondContact O-CB 3.04Å; L312-Q316 PolarHBondContact O-N 3.42Å; Q316-R345 PolarHBondContact O-NH2 3.26Å
317	E	94.6	Very high	91.2	Very high	13 Å²	13	39.2 Å²	39.2	6%	0.061	20%	0.199	C	C	.	.			trans	-62.8	143.4	170.5	-72.8	177.3	157.7	0	0	110.9	L226 V227 R228 I229 D321 R325	L226-E317 HydrophobicContact CD1-CG 4.41Å; L226-E317 HydrophobicContact CD2-CG 4.33Å; L226-E317 HydrophobicContact CG-CG 4.42Å; V227-E317 PolarHBondContact O-N 3.47Å; R228-E317 WeakPolarHBondContact CA-OE2 3.37Å; R228-E317 WeakPolarHBondContact CB-OE2 3.41Å; I229-E317 WeakPolarHBondContact CD1-O 3.33Å; I229-E317 HydrophobicContact CG1-CB 3.98Å; I229-E317 VanDerWaalsContact CG1-O 3.25Å; I229-E317 WeakPolarHBondContact CG1-O 3.43Å; I229-E317 PolarHBondContact N-OE2 3.39Å; E317-D321 WeakPolarHBondContact CA-OD2 3.48Å; E317-D321 HydrophobicContact CB-CB 3.81Å; E317-D321 HydrophobicContact CG-CB 4.06Å; E317-R325 IonicContact OE1-NH2 2.6Å; E317-R325 PolarHBondContact OE1-NH2 3.01Å; E317-R325 IonicContact OE2-CZ 2.69Å; E317-R325 IonicContact OE2-NH1 2.67Å; E317-R325 IonicContact OE2-NH2 3.48Å; E317-R325 PolarHBondContact OE2-NH2 3.33Å
318	G	95.5	Very high	91.5	Very high	10 Å²	10	33.4 Å²	33.4	10%	0.103	17%	0.172	C	C	.	.			trans	-103.9	-175	177.7	0	0	0	0	0	112.3	F300 L320 D321 I322	F300-G318 CarbonylContact O-C 3.57Å; F300-G318 WeakPolarHBondContact O-CA 3.42Å; G318-L320 VanDerWaalsContact C-N 3.25Å; G318-L320 PolarHBondContact O-N 2.87Å; G318-D321 PolarHBondContact N-OD2 3.49Å; G318-D321 WeakPolarHBondContact O-CB 3.13Å; G318-D321 PolarHBondContact O-N 3.32Å; G318-I322 PolarHBondContact O-N 3.45Å
319	V	97.3	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-33.7	179.2	63.1	0	0	0	0	113.2	F300 D321 I322 I323 F528 L531 L532	F300-V319 HydrophobicContact CB-CG1 4.32Å; F300-V319 HydrophobicContact CD1-CG1 3.64Å; F300-V319 HydrophobicContact CG-CG1 4.43Å; F300-V319 PolarHBondContact O-N 2.75Å; V319-D321 PolarHBondContact O-N 3.43Å; V319-I322 PolarHBondContact O-N 2.85Å; V319-I323 HydrophobicContact CG2-CD1 3.79Å; V319-I323 HydrophobicContact CG2-CG1 4.25Å; V319-I323 WeakPolarHBondContact O-CB 3.49Å; V319-I323 VanDerWaalsContact O-CG1 3.27Å; V319-I323 WeakPolarHBondContact O-CG1 3.25Å; V319-I323 PolarHBondContact O-N 3.35Å; V319-F528 HydrophobicContact CB-CD2 3.53Å; V319-F528 HydrophobicContact CB-CE2 3.67Å; V319-F528 HydrophobicContact CB-CG 4.16Å; V319-F528 HydrophobicContact CB-CZ 4.4Å; V319-F528 HydrophobicContact CG1-CD2 4.29Å; V319-F528 HydrophobicContact CG2-CD2 4.3Å; V319-F528 HydrophobicContact CG2-CE2 4.46Å; V319-F528 HydrophobicContact CG2-CG 4.49Å; V319-L531 HydrophobicContact CG1-CD1 3.87Å; V319-L531 HydrophobicContact CG2-CB 3.99Å; V319-L531 HydrophobicContact CG2-CD1 4.49Å; V319-L532 HydrophobicContact CG2-CD2 3.82Å; V319-L532 HydrophobicContact CG2-CG 3.85Å
320	L	98	Very high	92.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-67.4	-36.4	178.8	-62.8	-176.6	0	0	0	112.3	F300 G318 I322 Q324 V330 W332 V346 V386 V388	F300-L320 HydrophobicContact CD1-CD1 4Å; F300-L320 HydrophobicContact CD1-CD2 4.36Å; F300-L320 HydrophobicContact CD1-CG 3.81Å; F300-L320 HydrophobicContact CE1-CD1 3.81Å; F300-L320 HydrophobicContact CE1-CD2 4.09Å; F300-L320 HydrophobicContact CE1-CG 3.89Å; G318-L320 VanDerWaalsContact C-N 3.25Å; G318-L320 PolarHBondContact O-N 2.87Å; L320-I322 VanDerWaalsContact C-N 3.34Å; L320-Q324 WeakPolarHBondContact O-CB 3.42Å; L320-Q324 PolarHBondContact O-N 3.02Å; L320-V330 HydrophobicContact CB-CG1 4.31Å; L320-V330 HydrophobicContact CD1-CG1 4.46Å; L320-V330 HydrophobicContact CD2-CG1 4.13Å; L320-W332 HydrophobicContact CD1-CE3 3.64Å; L320-W332 HydrophobicContact CD1-CZ3 3.82Å; L320-V346 HydrophobicContact CB-CG1 4.02Å; L320-V346 HydrophobicContact CB-CG2 4.5Å; L320-V346 HydrophobicContact CD1-CG2 4.33Å; L320-V386 HydrophobicContact CD2-CG1 4.4Å; L320-V388 HydrophobicContact CD1-CG2 4.05Å; L320-V388 HydrophobicContact CD2-CG2 4.06Å
321	D	97.2	Very high	93.1	Very high	9 Å²	9	27.6 Å²	27.6	5%	0.048	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-43.6	173.6	-62.7	-80	0	0	0	111.1	E317 G318 V319 Q324 R325 R345	E317-D321 WeakPolarHBondContact CA-OD2 3.48Å; E317-D321 HydrophobicContact CB-CB 3.81Å; E317-D321 HydrophobicContact CG-CB 4.06Å; G318-D321 PolarHBondContact N-OD2 3.49Å; G318-D321 WeakPolarHBondContact O-CB 3.13Å; G318-D321 PolarHBondContact O-N 3.32Å; V319-D321 PolarHBondContact O-N 3.43Å; D321-Q324 PolarHBondContact O-N 2.95Å; D321-R325 WeakPolarHBondContact O-CB 3.23Å; D321-R325 PolarHBondContact O-N 2.91Å; D321-R345 VanDerWaalsContact CG-NE 3.33Å; D321-R345 WeakPolarHBondContact OD1-CB 3.31Å; D321-R345 WeakPolarHBondContact OD1-CD 3.24Å; D321-R345 IonicContact OD1-CZ 3.92Å; D321-R345 IonicContact OD1-NE 3.96Å; D321-R345 PolarHBondContact OD1-NE 2.88Å; D321-R345 IonicContact OD1-NH2 3.35Å; D321-R345 IonicContact OD2-CZ 3Å; D321-R345 IonicContact OD2-NE 3.61Å; D321-R345 PolarHBondContact OD2-NE 2.98Å; D321-R345 IonicContact OD2-NH2 2.96Å; D321-R345 PolarHBondContact OD2-NH2 3.26Å
322	I	97.2	Very high	94	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-47.1	178.9	-66.8	174.7	0	0	0	110.7	I229 A233 G318 V319 L320 R325 A326 F528 L532 V537 T539	I229-I322 HydrophobicContact CD1-CD1 3.78Å; I229-I322 HydrophobicContact CG1-CD1 4.01Å; A233-I322 HydrophobicContact CB-CG2 3.63Å; G318-I322 PolarHBondContact O-N 3.45Å; V319-I322 PolarHBondContact O-N 2.85Å; L320-I322 VanDerWaalsContact C-N 3.34Å; I322-R325 PolarHBondContact O-N 3.38Å; I322-A326 PolarHBondContact O-N 2.96Å; I322-F528 HydrophobicContact CD1-CE2 4.25Å; I322-F528 HydrophobicContact CD1-CZ 3.61Å; I322-L532 HydrophobicContact CB-CD2 4.46Å; I322-L532 HydrophobicContact CG2-CD2 3.72Å; I322-V537 HydrophobicContact CG2-CG1 3.96Å; I322-T539 HydrophobicContact CG2-CG2 4.1Å
323	I	97.6	Very high	94.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-46.5	177.4	-72.5	169.6	0	0	0	110.6	V319 R325 A326 I328 V330 V386 L531 L532 T535 V537	V319-I323 HydrophobicContact CG2-CD1 3.79Å; V319-I323 HydrophobicContact CG2-CG1 4.25Å; V319-I323 WeakPolarHBondContact O-CB 3.49Å; V319-I323 VanDerWaalsContact O-CG1 3.27Å; V319-I323 WeakPolarHBondContact O-CG1 3.25Å; V319-I323 PolarHBondContact O-N 3.35Å; I323-R325 VanDerWaalsContact C-N 3.34Å; I323-R325 PolarHBondContact O-N 2.99Å; I323-A326 PolarHBondContact O-N 3.46Å; I323-I328 HydrophobicContact CG2-CB 3.68Å; I323-I328 HydrophobicContact CG2-CD1 4.27Å; I323-I328 HydrophobicContact CG2-CG1 4.49Å; I323-I328 HydrophobicContact CG2-CG2 3.72Å; I323-I328 PolarHBondContact O-N 3.39Å; I323-V330 HydrophobicContact CB-CG2 4.38Å; I323-V330 HydrophobicContact CG2-CG2 3.8Å; I323-V386 HydrophobicContact CD1-CG2 4.47Å; I323-V386 HydrophobicContact CG2-CG2 3.95Å; I323-L531 HydrophobicContact CD1-CB 4.19Å; I323-L532 HydrophobicContact CG1-CD2 4.09Å; I323-T535 HydrophobicContact CD1-CG2 4.16Å; I323-T535 HydrophobicContact CG2-CG2 4.49Å; I323-V537 HydrophobicContact CG1-CG2 4.29Å
324	Q	97.3	Very high	95.1	Very high	69 Å²	69	22.2 Å²	22.2	32%	0.322	12%	0.123	S	C	.	.	H	α-helix	trans	-61.3	-43.1	177	-178.3	171.8	-98.2	0	0	111.8	L320 D321 A326 G327 I328 V330 R345 V346	L320-Q324 WeakPolarHBondContact O-CB 3.42Å; L320-Q324 PolarHBondContact O-N 3.02Å; D321-Q324 PolarHBondContact O-N 2.95Å; Q324-A326 VanDerWaalsContact C-N 3.29Å; Q324-A326 PolarHBondContact O-N 3.47Å; Q324-G327 WeakPolarHBondContact O-CA 3.29Å; Q324-G327 PolarHBondContact O-N 3.41Å; Q324-I328 WeakPolarHBondContact CA-O 3.32Å; Q324-V330 HydrophobicContact CB-CG2 4Å; Q324-R345 PolarHBondContact NE2-O 3.45Å; Q324-R345 VanDerWaalsContact NE2-O 3.11Å; Q324-V346 HydrophobicContact CB-CG1 4.32Å
325	R	96.1	Very high	95.8	Very high	83 Å²	83	18.8 Å²	18.8	31%	0.313	11%	0.107	S	C	.	.	H	α-helix	trans	-62.2	-36.3	177.7	-174.5	179.9	-56	114.5	6.3	112.8	I229 G230 E317 D321 I322 I323 G327	I229-R325 PolarHBondContact O-NH1 3.42Å; G230-R325 PolarHBondContact O-NH1 3.44Å; E317-R325 IonicContact OE1-NH2 2.6Å; E317-R325 PolarHBondContact OE1-NH2 3.01Å; E317-R325 IonicContact OE2-CZ 2.69Å; E317-R325 IonicContact OE2-NH1 2.67Å; E317-R325 IonicContact OE2-NH2 3.48Å; E317-R325 PolarHBondContact OE2-NH2 3.33Å; D321-R325 WeakPolarHBondContact O-CB 3.23Å; D321-R325 PolarHBondContact O-N 2.91Å; I322-R325 PolarHBondContact O-N 3.38Å; I323-R325 VanDerWaalsContact C-N 3.34Å; I323-R325 PolarHBondContact O-N 2.99Å; R325-G327 PolarHBondContact O-N 2.9Å; R325-G327 VanDerWaalsContact O-N 3.08Å
326	A	94.8	Very high	96	Very high	14 Å²	14	17.8 Å²	17.8	12%	0.116	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-2.4	174.1	0	0	0	0	0	113.1	R235 I322 I323 Q324 V537	R235-A326 WeakPolarHBondContact CD-O 3.47Å; R235-A326 HydrophobicContact CG-CB 4.09Å; R235-A326 VanDerWaalsContact CG-O 3.24Å; R235-A326 WeakPolarHBondContact CG-O 3.34Å; I322-A326 PolarHBondContact O-N 2.96Å; I323-A326 PolarHBondContact O-N 3.46Å; Q324-A326 VanDerWaalsContact C-N 3.29Å; Q324-A326 PolarHBondContact O-N 3.47Å; A326-V537 HydrophobicContact CB-CB 4.4Å; A326-V537 HydrophobicContact CB-CG1 3.75Å; A326-V537 HydrophobicContact CB-CG2 3.76Å
327	G	94.2	Very high	95.6	Very high	53 Å²	53	18.8 Å²	18.8	55%	0.546	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	25.6	176.5	0	0	0	0	0	113.8	Q324 R325	Q324-G327 WeakPolarHBondContact O-CA 3.29Å; Q324-G327 PolarHBondContact O-N 3.41Å; R325-G327 PolarHBondContact O-N 2.9Å; R325-G327 VanDerWaalsContact O-N 3.08Å
328	I	96.2	Very high	95.2	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	13%	0.126	C	C	.	.			trans	-99.5	136.8	173.3	-59.7	-178.4	0	0	0	108.3	R235 I323 Q324 D384 V386 T535 V537	R235-I328 HydrophobicContact CG-CD1 4.33Å; R235-I328 HydrophobicContact CG-CG1 4.28Å; I323-I328 HydrophobicContact CG2-CB 3.68Å; I323-I328 HydrophobicContact CG2-CD1 4.27Å; I323-I328 HydrophobicContact CG2-CG1 4.49Å; I323-I328 HydrophobicContact CG2-CG2 3.72Å; I323-I328 PolarHBondContact O-N 3.39Å; Q324-I328 WeakPolarHBondContact CA-O 3.32Å; I328-D384 HydrophobicContact CD1-CB 4.48Å; I328-D384 HydrophobicContact CG1-CB 4.19Å; I328-D384 HydrophobicContact CG2-CB 3.96Å; I328-V386 HydrophobicContact CG2-CG2 4.21Å; I328-T535 HydrophobicContact CD1-CG2 4.43Å; I328-V537 HydrophobicContact CD1-CG2 3.6Å
329	N	97.6	Very high	94.9	Very high	63 Å²	63	19.1 Å²	19.1	34%	0.337	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.4	179.7	-61.3	-82.2	0	0	0	110.1	L381 Q382 D384 G385 V386	N329-L381 HydrophobicContact CB-CD1 3.62Å; N329-Q382 PolarHBondContact ND2-O 2.91Å; N329-D384 PolarHBondContact N-O 3.05Å; N329-D384 PolarHBondContact ND2-O 2.62Å; N329-G385 CarbonylContact O-C 3.48Å; N329-G385 VanDerWaalsContact O-CA 3.26Å; N329-G385 WeakPolarHBondContact O-CA 3.42Å; N329-V386 PolarHBondContact O-N 2.97Å
330	V	97.9	Very high	94.5	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.4	175.7	-178	0	0	0	0	109.1	L320 I323 Q324 V346 P347 V386	L320-V330 HydrophobicContact CB-CG1 4.31Å; L320-V330 HydrophobicContact CD1-CG1 4.46Å; L320-V330 HydrophobicContact CD2-CG1 4.13Å; I323-V330 HydrophobicContact CB-CG2 4.38Å; I323-V330 HydrophobicContact CG2-CG2 3.8Å; Q324-V330 HydrophobicContact CB-CG2 4Å; V330-V346 HydrophobicContact CB-CB 4.22Å; V330-V346 HydrophobicContact CB-CG1 4.25Å; V330-V346 HydrophobicContact CG1-CB 3.89Å; V330-V346 HydrophobicContact CG1-CG1 4.06Å; V330-V346 HydrophobicContact CG1-CG2 3.97Å; V330-P347 WeakPolarHBondContact O-CD 3.23Å; V330-P347 WeakPolarHBondContact O-CG 3.36Å; V330-V386 WeakPolarHBondContact CA-O 3.37Å
331	L	97.8	Very high	94	Very high	20 Å²	20	22.2 Å²	22.2	11%	0.105	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.6	171.8	176.2	66.5	0	0	0	109.6	P347 L374 Y377 V386 I387 V388	L331-P347 CarbonylContact C-O 3.34Å; L331-P347 WeakPolarHBondContact CA-O 3.34Å; L331-L374 HydrophobicContact CD2-CD1 4.3Å; L331-Y377 HydrophobicContact CB-CE1 4.07Å; L331-Y377 HydrophobicContact CB-CE2 4.4Å; L331-Y377 HydrophobicContact CD2-CD1 3.76Å; L331-Y377 HydrophobicContact CD2-CD2 3.93Å; L331-Y377 HydrophobicContact CD2-CE1 3.76Å; L331-Y377 HydrophobicContact CD2-CE2 3.93Å; L331-Y377 HydrophobicContact CD2-CG 3.84Å; L331-V386 PolarHBondContact N-O 2.9Å; L331-I387 CarbonylContact O-C 3.35Å; L331-I387 WeakPolarHBondContact O-CA 3.33Å; L331-V388 PolarHBondContact O-N 3.48Å
332	W	98	Very high	93.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118	171.9	-176.6	-65.7	0	0	0	111	V252 V296 F300 L320 D334 C339 A342 C343 P347 H348 Q349 V388 H390	V252-W332 HydrophobicContact CG2-CH2 4.37Å; V296-W332 HydrophobicContact CG1-CH2 4.13Å; F300-W332 HydrophobicContact CD2-CH2 4.49Å; F300-W332 HydrophobicContact CD2-CZ3 4.42Å; F300-W332 HydrophobicContact CE1-CZ3 4.06Å; F300-W332 AromaticContact CE2-CH2 3.71Å; F300-W332 HydrophobicContact CE2-CH2 3.71Å; F300-W332 AromaticContact CE2-CZ3 3.73Å; F300-W332 HydrophobicContact CE2-CZ3 3.73Å; F300-W332 AromaticContact CZ-CH2 3.88Å; F300-W332 HydrophobicContact CZ-CH2 3.88Å; F300-W332 AromaticContact CZ-CZ3 3.52Å; F300-W332 HydrophobicContact CZ-CZ3 3.52Å; L320-W332 HydrophobicContact CD1-CE3 3.64Å; L320-W332 HydrophobicContact CD1-CZ3 3.82Å; W332-D334 PolarHBondContact NE1-OD1 2.84Å; W332-C339 HydrophobicContact CD2-CB 4.11Å; W332-C339 VanDerWaalsContact CE2-CB 3.43Å; W332-C339 HydrophobicContact CH2-CB 4.04Å; W332-C339 HydrophobicContact CZ2-CB 3.42Å; W332-C339 VanDerWaalsContact CZ2-CB 3.42Å; W332-A342 HydrophobicContact CH2-CB 4.17Å; W332-A342 HydrophobicContact CZ3-CB 4.12Å; W332-C343 HydrophobicContact CB-CB 3.86Å; W332-C343 HydrophobicContact CD2-CB 3.55Å; W332-C343 HydrophobicContact CE3-CB 3.69Å; W332-C343 HydrophobicContact CG-CB 3.61Å; W332-C343 HydrophobicContact CZ3-CB 4.42Å; W332-P347 PolarHBondContact N-O 3.13Å; W332-H348 HydrophobicContact CB-CB 3.8Å; W332-H348 HydrophobicContact CG-CB 4.37Å; W332-H348 CarbonylContact O-C 3.44Å; W332-H348 WeakPolarHBondContact O-CA 3.44Å; W332-Q349 PolarHBondContact O-N 2.99Å; W332-V388 CarbonylContact C-O 3.6Å; W332-V388 WeakPolarHBondContact CA-O 3.3Å; W332-V388 HydrophobicContact CB-CB 4.42Å; W332-V388 HydrophobicContact CD2-CB 3.95Å; W332-V388 HydrophobicContact CD2-CG1 3.84Å; W332-V388 HydrophobicContact CE3-CB 3.65Å; W332-V388 HydrophobicContact CE3-CG1 3.52Å; W332-V388 HydrophobicContact CE3-CG2 3.95Å; W332-V388 HydrophobicContact CG-CB 4.32Å; W332-V388 HydrophobicContact CH2-CG1 4.02Å; W332-V388 HydrophobicContact CZ2-CG1 4.31Å; W332-V388 HydrophobicContact CZ3-CB 4.23Å; W332-V388 HydrophobicContact CZ3-CG1 3.63Å; W332-V388 HydrophobicContact CZ3-CG2 4.41Å; W332-H390 HydrophobicContact CZ2-CB 3.72Å; W332-H390 AromaticContact CZ2-CG 3.8Å; W332-H390 AromaticContact CZ2-ND1 3.85Å
333	N	97.7	Very high	93.6	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.1	170	-73.1	-1.4	0	0	0	109.5	V351 L370 V388 L389 H390	N333-V351 HydrophobicContact CB-CG1 4.08Å; N333-L370 HydrophobicContact CB-CD2 3.84Å; N333-L370 PolarHBondContact ND2-O 2.99Å; N333-L370 VanDerWaalsContact ND2-O 3.14Å; N333-L370 VanDerWaalsContact O-CD2 3.31Å; N333-L370 WeakPolarHBondContact O-CD2 3.35Å; N333-V388 PolarHBondContact N-O 3.34Å; N333-L389 HydrophobicContact CB-CD2 3.95Å; N333-H390 PolarHBondContact O-N 3.41Å
334	D	95.6	Very high	93.4	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.032	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.7	-171.6	-164.2	89.6	0	0	0	112.8	W332 D336 G337 G338 C339 Q349 N350 V351 H390	W332-D334 PolarHBondContact NE1-OD1 2.84Å; D334-D336 PolarHBondContact OD2-N 2.97Å; D334-G337 PolarHBondContact OD2-N 3.45Å; D334-G338 WeakPolarHBondContact OD2-CA 3.41Å; D334-G338 PolarHBondContact OD2-N 3.19Å; D334-C339 PolarHBondContact OD1-N 3.31Å; D334-Q349 PolarHBondContact N-O 3.43Å; D334-N350 PolarHBondContact O-OD1 3.41Å; D334-V351 WeakPolarHBondContact O-CG2 3.49Å; D334-V351 PolarHBondContact O-N 3.07Å; D334-H390 IonicContact OD1-CE1 2.68Å; D334-H390 IonicContact OD1-CG 3.75Å; D334-H390 IonicContact OD1-ND1 3.32Å; D334-H390 PolarHBondContact OD1-ND1 3.11Å
335	N	94.9	Very high	93.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	17%	0.168	C	C	.	.			trans	-112.2	9	174.1	-165.2	41.3	0	0	0	113.4	V351 T352 C365 D367 V369 L370 H390	N335-V351 HydrophobicContact CB-CG2 3.96Å; N335-T352 WeakPolarHBondContact OD1-CG2 3.49Å; N335-C365 PolarHBondContact ND2-O 2.85Å; N335-D367 PolarHBondContact ND2-OD1 3.34Å; N335-V369 HydrophobicContact CB-CG1 4.44Å; N335-V369 WeakPolarHBondContact OD1-CG1 3.45Å; N335-L370 HydrophobicContact CB-CD1 4.17Å; N335-L370 HydrophobicContact CB-CD2 3.85Å; N335-L370 HydrophobicContact CB-CG 3.95Å; N335-H390 WeakPolarHBondContact CB-O 3.42Å; N335-H390 PolarHBondContact N-O 2.8Å
336	D	89.8	Confident	93.2	Very high	9 Å²	9	23.9 Å²	23.9	5%	0.048	16%	0.155	C	C	.	.	S	Bend	trans	-123.5	31.3	-170.9	-167.1	54.4	0	0	0	112.9	D334 G338 H390	D334-D336 PolarHBondContact OD2-N 2.97Å; D336-G338 PolarHBondContact O-N 2.98Å; D336-G338 VanDerWaalsContact O-N 3.15Å; D336-H390 IonicContact OD2-CE1 2.74Å; D336-H390 IonicContact OD2-NE2 3.96Å
337	G	82	Confident	93.3	Very high	35 Å²	35	26.6 Å²	26.6	36%	0.361	17%	0.172	S	C	.	.	S	Bend	trans	70.3	12.8	173.6	0	0	0	0	0	115.3	D334	D334-G337 PolarHBondContact OD2-N 3.45Å
338	G	85.8	Confident	93.4	Very high	24 Å²	24	28.9 Å²	28.9	25%	0.247	17%	0.168	C	C	.	.			trans	131.6	153	170.1	0	0	0	0	0	114.6	D334 D336 K340	D334-G338 WeakPolarHBondContact OD2-CA 3.41Å; D334-G338 PolarHBondContact OD2-N 3.19Å; D336-G338 PolarHBondContact O-N 2.98Å; D336-G338 VanDerWaalsContact O-N 3.15Å; G338-K340 VanDerWaalsContact C-N 3.32Å; G338-K340 PolarHBondContact O-N 3.32Å
339	C	89.6	Confident	93.3	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.041	19%	0.185	C	C	.	.			trans	-86.5	10.7	-174.8	64.4	0	0	0	0	115.7	W332 D334 G341 A342 C343	W332-C339 HydrophobicContact CD2-CB 4.11Å; W332-C339 VanDerWaalsContact CE2-CB 3.43Å; W332-C339 HydrophobicContact CH2-CB 4.04Å; W332-C339 HydrophobicContact CZ2-CB 3.42Å; W332-C339 VanDerWaalsContact CZ2-CB 3.42Å; D334-C339 PolarHBondContact OD1-N 3.31Å; C339-G341 PolarHBondContact O-N 2.81Å; C339-G341 VanDerWaalsContact O-N 3.1Å; C339-A342 WeakPolarHBondContact O-CB 3.34Å; C339-A342 PolarHBondContact O-N 3.05Å; C339-C343 HydrophobicContact CB-CB 3.56Å; C339-C343 WeakPolarHBondContact CB-SG 3.24Å; C339-C343 VanDerWaalsContact SG-CA 3.5Å; C339-C343 WeakPolarHBondContact SG-CB 3.19Å; C339-C343 PolarHBondContact SG-N 2.92Å; C339-C343 CovalentContact SG-SG 2.02Å; C339-C343 PolarHBondContact SG-SG 3.1Å
340	K	88.7	Confident	93.1	Very high	47 Å²	47	32.8 Å²	32.8	20%	0.204	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	35.2	178.5	-42.9	-53.5	180	-155.7	0	114.5	T292 P297 G338	T292-K340 HydrophobicContact CG2-CG 4.31Å; P297-K340 HydrophobicContact CG-CB 4.07Å; P297-K340 WeakPolarHBondContact CG-O 3.23Å; G338-K340 VanDerWaalsContact C-N 3.32Å; G338-K340 PolarHBondContact O-N 3.32Å
341	G	88	Confident	92.8	Very high	18 Å²	18	32.6 Å²	32.6	19%	0.186	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-12.5	179	0	0	0	0	0	115.6	C339 C343	C339-G341 PolarHBondContact O-N 2.81Å; C339-G341 VanDerWaalsContact O-N 3.1Å; G341-C343 VanDerWaalsContact C-N 3.26Å; G341-C343 PolarHBondContact O-N 3.37Å
342	A	92.5	Very high	92.4	Very high	12 Å²	12	33.1 Å²	33.1	10%	0.099	19%	0.189	C	C	.	.	S	Bend	trans	-68.9	-23.9	-179.3	0	0	0	0	0	113.4	V296 F300 W332 C339	V296-A342 HydrophobicContact CG1-CB 3.89Å; F300-A342 HydrophobicContact CB-CB 4.37Å; F300-A342 HydrophobicContact CD2-CB 3.95Å; F300-A342 HydrophobicContact CG-CB 4.23Å; W332-A342 HydrophobicContact CH2-CB 4.17Å; W332-A342 HydrophobicContact CZ3-CB 4.12Å; C339-A342 WeakPolarHBondContact O-CB 3.34Å; C339-A342 PolarHBondContact O-N 3.05Å
343	C	94	Very high	92	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.027	22%	0.22	C	C	.	.	S	Bend	trans	-112.9	-2.1	-176.3	79.6	0	0	0	0	114.9	W332 C339 G341 R345 V346 H348	W332-C343 HydrophobicContact CB-CB 3.86Å; W332-C343 HydrophobicContact CD2-CB 3.55Å; W332-C343 HydrophobicContact CE3-CB 3.69Å; W332-C343 HydrophobicContact CG-CB 3.61Å; W332-C343 HydrophobicContact CZ3-CB 4.42Å; C339-C343 HydrophobicContact CB-CB 3.56Å; C339-C343 WeakPolarHBondContact CB-SG 3.24Å; C339-C343 VanDerWaalsContact SG-CA 3.5Å; C339-C343 WeakPolarHBondContact SG-CB 3.19Å; C339-C343 PolarHBondContact SG-N 2.92Å; C339-C343 CovalentContact SG-SG 2.02Å; C339-C343 PolarHBondContact SG-SG 3.1Å; G341-C343 VanDerWaalsContact C-N 3.26Å; G341-C343 PolarHBondContact O-N 3.37Å; C343-R345 PolarHBondContact O-N 2.96Å; C343-V346 HydrophobicContact CB-CG2 4.09Å; C343-V346 WeakPolarHBondContact O-CG2 3.2Å; C343-V346 PolarHBondContact O-N 2.98Å; C343-H348 HydrophobicContact CB-CB 4.07Å; C343-H348 PolarHBondContact O-ND1 3.48Å; C343-H348 VanDerWaalsContact O-ND1 3.07Å
344	D	92.1	Very high	91.6	Very high	103 Å²	103	39.6 Å²	39.6	55%	0.551	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23	-169.8	-72.8	4.2	0	0	0	114.4
345	R	94.2	Very high	91.2	Very high	70 Å²	70	44.5 Å²	44.5	26%	0.264	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	3	-174.1	-64.6	175.7	-60.3	-89.9	-1	113.7	Q316 D321 Q324 C343	Q316-R345 PolarHBondContact O-NH2 3.26Å; D321-R345 VanDerWaalsContact CG-NE 3.33Å; D321-R345 WeakPolarHBondContact OD1-CB 3.31Å; D321-R345 WeakPolarHBondContact OD1-CD 3.24Å; D321-R345 IonicContact OD1-CZ 3.92Å; D321-R345 IonicContact OD1-NE 3.96Å; D321-R345 PolarHBondContact OD1-NE 2.88Å; D321-R345 IonicContact OD1-NH2 3.35Å; D321-R345 IonicContact OD2-CZ 3Å; D321-R345 IonicContact OD2-NE 3.61Å; D321-R345 PolarHBondContact OD2-NE 2.98Å; D321-R345 IonicContact OD2-NH2 2.96Å; D321-R345 PolarHBondContact OD2-NH2 3.26Å; Q324-R345 PolarHBondContact NE2-O 3.45Å; Q324-R345 VanDerWaalsContact NE2-O 3.11Å; C343-R345 PolarHBondContact O-N 2.96Å
346	V	96.1	Very high	90.9	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.042	27%	0.269	C	S	.	.	S	Bend	trans	-119	156.9	173	-62.4	0	0	0	0	110.1	L320 Q324 V330 C343 H348	L320-V346 HydrophobicContact CB-CG1 4.02Å; L320-V346 HydrophobicContact CB-CG2 4.5Å; L320-V346 HydrophobicContact CD1-CG2 4.33Å; Q324-V346 HydrophobicContact CB-CG1 4.32Å; V330-V346 HydrophobicContact CB-CB 4.22Å; V330-V346 HydrophobicContact CB-CG1 4.25Å; V330-V346 HydrophobicContact CG1-CB 3.89Å; V330-V346 HydrophobicContact CG1-CG1 4.06Å; V330-V346 HydrophobicContact CG1-CG2 3.97Å; C343-V346 HydrophobicContact CB-CG2 4.09Å; C343-V346 WeakPolarHBondContact O-CG2 3.2Å; C343-V346 PolarHBondContact O-N 2.98Å; V346-H348 PolarHBondContact O-N 3.02Å; V346-H348 VanDerWaalsContact O-N 3.14Å; V346-H348 PolarHBondContact O-ND1 3.25Å
347	P	97	Very high	90.8	Very high	71 Å²	71	51 Å²	51	46%	0.461	30%	0.301	S	S	.	.			trans	-52.8	121.6	173.3	-26.5	33.3	0	0	0	110.8	V330 L331 W332	V330-P347 WeakPolarHBondContact O-CD 3.23Å; V330-P347 WeakPolarHBondContact O-CG 3.36Å; L331-P347 CarbonylContact C-O 3.34Å; L331-P347 WeakPolarHBondContact CA-O 3.34Å; W332-P347 PolarHBondContact N-O 3.13Å
348	H	96.1	Very high	90.9	Very high	102 Å²	102	56.9 Å²	56.9	47%	0.472	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153	-179.8	62.5	-91.6	0	0	0	111.4	W332 C343 V346	W332-H348 HydrophobicContact CB-CB 3.8Å; W332-H348 HydrophobicContact CG-CB 4.37Å; W332-H348 CarbonylContact O-C 3.44Å; W332-H348 WeakPolarHBondContact O-CA 3.44Å; C343-H348 HydrophobicContact CB-CB 4.07Å; C343-H348 PolarHBondContact O-ND1 3.48Å; C343-H348 VanDerWaalsContact O-ND1 3.07Å; V346-H348 PolarHBondContact O-N 3.02Å; V346-H348 VanDerWaalsContact O-N 3.14Å; V346-H348 PolarHBondContact O-ND1 3.25Å
349	Q	94.1	Very high	91	Very high	79 Å²	79	58.2 Å²	58.2	37%	0.369	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129.7	178.2	180	176.4	12.3	0	0	110	W332 D334 V351	W332-Q349 PolarHBondContact O-N 2.99Å; D334-Q349 PolarHBondContact N-O 3.43Å; Q349-V351 HydrophobicContact CG-CG1 4.28Å; Q349-V351 PolarHBondContact O-N 2.85Å
350	N	92.7	Very high	91	Very high	69 Å²	69	58.9 Å²	58.9	37%	0.369	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	109.4	165.7	-177.1	-11.1	0	0	0	109.1	D334 T352	D334-N350 PolarHBondContact O-OD1 3.41Å; N350-T352 PolarHBondContact OD1-N 3.5Å; N350-T352 VanDerWaalsContact OD1-N 3.09Å; N350-T352 PolarHBondContact OD1-OG1 3.27Å
351	V	92.7	Very high	90.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-81.5	-19.9	-175.9	-65.5	0	0	0	0	112.8	N333 D334 N335 Q349 A353 L354 V369 L370	N333-V351 HydrophobicContact CB-CG1 4.08Å; D334-V351 WeakPolarHBondContact O-CG2 3.49Å; D334-V351 PolarHBondContact O-N 3.07Å; N335-V351 HydrophobicContact CB-CG2 3.96Å; Q349-V351 HydrophobicContact CG-CG1 4.28Å; Q349-V351 PolarHBondContact O-N 2.85Å; V351-A353 PolarHBondContact O-N 3.29Å; V351-L354 HydrophobicContact CB-CD1 4.26Å; V351-L354 HydrophobicContact CG1-CD1 4.41Å; V351-L354 VanDerWaalsContact O-CB 3.27Å; V351-L354 WeakPolarHBondContact O-CB 3.21Å; V351-L354 WeakPolarHBondContact O-CG 3.41Å; V351-L354 PolarHBondContact O-N 3.26Å; V351-L354 VanDerWaalsContact O-N 3.11Å; V351-V369 HydrophobicContact CB-CG1 4.36Å; V351-V369 HydrophobicContact CB-CG2 4.28Å; V351-V369 HydrophobicContact CG2-CG1 3.73Å; V351-L370 HydrophobicContact CG2-CD2 3.74Å; V351-L370 HydrophobicContact CG2-CG 4.29Å
352	T	88.9	Confident	90	Very high	30 Å²	30	65.4 Å²	65.4	18%	0.184	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-63.5	-30.7	173.5	61.9	0	0	0	0	112	N335 N350 L354 N355 C365	N335-T352 WeakPolarHBondContact OD1-CG2 3.49Å; N350-T352 PolarHBondContact OD1-N 3.5Å; N350-T352 VanDerWaalsContact OD1-N 3.09Å; N350-T352 PolarHBondContact OD1-OG1 3.27Å; T352-L354 PolarHBondContact O-N 3.34Å; T352-L354 VanDerWaalsContact O-N 3.14Å; T352-N355 PolarHBondContact O-N 3.13Å; T352-N355 VanDerWaalsContact O-N 3.08Å; T352-C365 HydrophobicContact CG2-CB 4.48Å
353	A	88.5	Confident	89.4	Confident	77 Å²	77	67 Å²	67	64%	0.636	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-63.5	-17.5	176.8	0	0	0	0	0	113.7	V351 N355	V351-A353 PolarHBondContact O-N 3.29Å; A353-N355 VanDerWaalsContact C-N 3.26Å; A353-N355 PolarHBondContact O-N 3.3Å
354	L	89.4	Confident	89.1	Confident	62 Å²	62	68.2 Å²	68.2	33%	0.325	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-69.6	-26.1	175.3	-59.8	176.3	0	0	0	112.3	V351 T352 L356 H372	V351-L354 HydrophobicContact CB-CD1 4.26Å; V351-L354 HydrophobicContact CG1-CD1 4.41Å; V351-L354 VanDerWaalsContact O-CB 3.27Å; V351-L354 WeakPolarHBondContact O-CB 3.21Å; V351-L354 WeakPolarHBondContact O-CG 3.41Å; V351-L354 PolarHBondContact O-N 3.26Å; V351-L354 VanDerWaalsContact O-N 3.11Å; T352-L354 PolarHBondContact O-N 3.34Å; T352-L354 VanDerWaalsContact O-N 3.14Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 HydrophobicContact CB-CD2 4.06Å; L354-L356 HydrophobicContact CB-CG 4.09Å; L354-L356 PolarHBondContact O-N 2.98Å; L354-H372 HydrophobicContact CD1-CB 4.49Å
355	N	87.7	Confident	89.1	Confident	109 Å²	109	63.7 Å²	63.7	58%	0.583	36%	0.36	S	S	*	.			trans	45.4	52.8	179	-169.3	41.1	0	0	0	112.9	T352 A353	T352-N355 PolarHBondContact O-N 3.13Å; T352-N355 VanDerWaalsContact O-N 3.08Å; A353-N355 VanDerWaalsContact C-N 3.26Å; A353-N355 PolarHBondContact O-N 3.3Å
356	L	89.8	Confident	89.2	Confident	35 Å²	35	61.9 Å²	61.9	18%	0.183	35%	0.354	C	S	.	.			trans	-65.3	136.5	-175.4	-62	-175.1	0	0	0	111.2	L354 Q359 C360 V369 H372	L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 HydrophobicContact CB-CD2 4.06Å; L354-L356 HydrophobicContact CB-CG 4.09Å; L354-L356 PolarHBondContact O-N 2.98Å; L356-Q359 HydrophobicContact CB-CB 4.27Å; L356-Q359 PolarHBondContact O-N 2.62Å; L356-C360 PolarHBondContact N-SG 3.37Å; L356-C360 PolarHBondContact O-N 3.13Å; L356-V369 HydrophobicContact CD1-CG2 3.85Å; L356-V369 HydrophobicContact CG-CG2 4.25Å; L356-H372 HydrophobicContact CD1-CB 3.98Å; L356-H372 VanDerWaalsContact CD1-CD2 3.46Å; L356-H372 WeakPolarHBondContact CD1-CD2 3.33Å
357	P	86.5	Confident	89.2	Confident	110 Å²	110	61.6 Å²	61.6	71%	0.714	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	142.2	175.1	-22.4	32.2	0	0	0	111.7	Q359	P357-Q359 PolarHBondContact O-N 3.46Å
358	D	83.9	Confident	89.2	Confident	160 Å²	160	60.3 Å²	60.3	86%	0.856	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-5.3	178.5	-53.8	-44.2	0	0	0	116.4
359	Q	88.4	Confident	89.2	Confident	52 Å²	52	55.4 Å²	55.4	24%	0.243	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-25	174.5	-63.4	-162.5	-4.4	0	0	113.5	L356 P357 C365 Y366 V369	L356-Q359 HydrophobicContact CB-CB 4.27Å; L356-Q359 PolarHBondContact O-N 2.62Å; P357-Q359 PolarHBondContact O-N 3.46Å; Q359-C365 WeakPolarHBondContact O-CA 3.21Å; Q359-Y366 WeakPolarHBondContact O-CD2 3.29Å; Q359-Y366 PolarHBondContact O-N 3.13Å; Q359-V369 VanDerWaalsContact OE1-CA 3.27Å
360	C	89.1	Confident	89.3	Confident	20 Å²	20	51.7 Å²	51.7	14%	0.135	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134	-177	-57.1	0	0	0	0	112.4	L356 E364 C365	L356-C360 PolarHBondContact N-SG 3.37Å; L356-C360 PolarHBondContact O-N 3.13Å; C360-E364 CarbonylContact C-O 3.52Å; C360-E364 VanDerWaalsContact CA-O 3.25Å; C360-E364 WeakPolarHBondContact CA-O 3.33Å; C360-C365 HydrophobicContact CB-CB 4.05Å; C360-C365 WeakPolarHBondContact CB-SG 3.27Å; C360-C365 WeakPolarHBondContact SG-CB 3.3Å; C360-C365 CovalentContact SG-SG 2.04Å; C360-C365 PolarHBondContact SG-SG 3.43Å
361	I	80.4	Confident	89.5	Confident	68 Å²	68	49.5 Å²	49.5	35%	0.349	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.9	179.6	-55.8	175.1	0	0	0	108.6	G363 E364 Y366	I361-G363 PolarHBondContact O-N 3.39Å; I361-G363 VanDerWaalsContact O-N 3.07Å; I361-E364 PolarHBondContact N-O 3.21Å; I361-E364 PolarHBondContact O-N 2.95Å; I361-Y366 HydrophobicContact CD1-CE2 4.26Å; I361-Y366 WeakPolarHBondContact CD1-OH 3.35Å
362	N	76.1	Confident	89.6	Confident	133 Å²	133	54 Å²	54	71%	0.711	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	31.1	173.4	-60.8	-35.3	0	0	0	115.5
363	G	79	Confident	89.8	Confident	47 Å²	47	54.4 Å²	54.4	49%	0.485	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-4.8	179.1	0	0	0	0	0	115.2	I361	I361-G363 PolarHBondContact O-N 3.39Å; I361-G363 VanDerWaalsContact O-N 3.07Å
364	E	87.6	Confident	90.1	Very high	29 Å²	29	50.9 Å²	50.9	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.6	170.9	-59.5	175.6	126	0	0	109.3	A124 C360 I361 I392 R402	A124-E364 HydrophobicContact CB-CG 3.97Å; C360-E364 CarbonylContact C-O 3.52Å; C360-E364 VanDerWaalsContact CA-O 3.25Å; C360-E364 WeakPolarHBondContact CA-O 3.33Å; I361-E364 PolarHBondContact N-O 3.21Å; I361-E364 PolarHBondContact O-N 2.95Å; E364-I392 HydrophobicContact CB-CD1 4.19Å; E364-I392 HydrophobicContact CG-CD1 4.25Å; E364-R402 IonicContact OE1-CZ 3.09Å; E364-R402 IonicContact OE1-NH1 2.73Å; E364-R402 PolarHBondContact OE1-NH1 3.31Å; E364-R402 IonicContact OE1-NH2 3.42Å; E364-R402 PolarHBondContact OE1-NH2 2.99Å; E364-R402 IonicContact OE2-CZ 3.69Å; E364-R402 IonicContact OE2-NH1 3.7Å; E364-R402 IonicContact OE2-NH2 2.79Å; E364-R402 PolarHBondContact OE2-NH2 3.23Å
365	C	93.3	Very high	90.4	Very high	7 Å²	7	53.1 Å²	53.1	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.6	-179.7	-54.9	0	0	0	0	111.3	N335 T352 Q359 C360 V369	N335-C365 PolarHBondContact ND2-O 2.85Å; T352-C365 HydrophobicContact CG2-CB 4.48Å; Q359-C365 WeakPolarHBondContact O-CA 3.21Å; C360-C365 HydrophobicContact CB-CB 4.05Å; C360-C365 WeakPolarHBondContact CB-SG 3.27Å; C360-C365 WeakPolarHBondContact SG-CB 3.3Å; C360-C365 CovalentContact SG-SG 2.04Å; C360-C365 PolarHBondContact SG-SG 3.43Å; C365-V369 HydrophobicContact CB-CB 4.25Å; C365-V369 HydrophobicContact CB-CG1 3.82Å
366	Y	96	Very high	90.7	Very high	33 Å²	33	54.5 Å²	54.5	13%	0.129	30%	0.3	C	S	.	.			trans	-64.1	142.7	168.1	-59.1	-59.3	0	0	0	110.2	Q359 I361 E368 V369 N401 Y403 P404 Y437	Q359-Y366 WeakPolarHBondContact O-CD2 3.29Å; Q359-Y366 PolarHBondContact O-N 3.13Å; I361-Y366 HydrophobicContact CD1-CE2 4.26Å; I361-Y366 WeakPolarHBondContact CD1-OH 3.35Å; Y366-E368 PolarHBondContact O-N 2.99Å; Y366-V369 WeakPolarHBondContact O-CB 3.38Å; Y366-V369 VanDerWaalsContact O-CG1 3.26Å; Y366-V369 WeakPolarHBondContact O-CG1 3.23Å; Y366-V369 PolarHBondContact O-N 2.94Å; Y366-N401 VanDerWaalsContact CE1-O 3.23Å; Y366-N401 WeakPolarHBondContact CE1-O 3.4Å; Y366-Y403 VanDerWaalsContact CE1-C 3.45Å; Y366-P404 HydrophobicContact CD1-CG 4Å; Y366-P404 HydrophobicContact CD2-CG 3.95Å; Y366-P404 HydrophobicContact CE1-CG 4.1Å; Y366-P404 HydrophobicContact CE2-CB 4.46Å; Y366-P404 HydrophobicContact CE2-CG 4.08Å; Y366-P404 HydrophobicContact CG-CG 3.92Å; Y366-Y437 WeakPolarHBondContact CB-OH 3.4Å
367	D	97	Very high	91	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-58.1	-15.5	-175.4	-72.8	-40.7	0	0	0	115.1	N335 V369 L370 T391 I392 G393 Y437 I441	N335-D367 PolarHBondContact ND2-OD1 3.34Å; D367-V369 PolarHBondContact O-N 2.67Å; D367-V369 VanDerWaalsContact O-N 3.12Å; D367-L370 HydrophobicContact CB-CD1 4.16Å; D367-L370 VanDerWaalsContact O-CB 3.28Å; D367-L370 WeakPolarHBondContact O-CB 3.27Å; D367-L370 WeakPolarHBondContact O-CG 3.5Å; D367-L370 PolarHBondContact O-N 2.76Å; D367-T391 HydrophobicContact CB-CG2 4.47Å; D367-T391 VanDerWaalsContact OD1-CA 3.23Å; D367-T391 WeakPolarHBondContact OD1-CA 3.47Å; D367-T391 WeakPolarHBondContact OD1-CB 3.33Å; D367-I392 PolarHBondContact OD1-N 3.25Å; D367-G393 PolarHBondContact OD2-N 2.95Å; D367-G393 VanDerWaalsContact OD2-N 3.11Å; D367-Y437 HydrophobicContact CB-CE1 4.17Å; D367-I441 HydrophobicContact CB-CD1 3.83Å; D367-I441 HydrophobicContact CB-CG1 3.83Å; D367-I441 HydrophobicContact CB-CG2 4.42Å
368	E	96.1	Very high	91.5	Very high	43 Å²	43	50.9 Å²	50.9	20%	0.201	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-58.6	-22	171.6	-175.8	154.1	-144	0	0	113.5	Y366 L370 F371 Y437 Y440 I441 K444	Y366-E368 PolarHBondContact O-N 2.99Å; E368-L370 PolarHBondContact O-N 2.87Å; E368-F371 PolarHBondContact O-N 2.85Å; E368-Y437 VanDerWaalsContact CB-OH 3.28Å; E368-Y437 WeakPolarHBondContact CB-OH 3.43Å; E368-Y437 PolarHBondContact N-OH 2.73Å; E368-Y440 PolarHBondContact OE1-OH 2.87Å; E368-I441 HydrophobicContact CB-CD1 4.31Å; E368-K444 IonicContact OE1-NZ 3.15Å; E368-K444 PolarHBondContact OE1-NZ 2.79Å
369	V	95.3	Very high	92.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-61.2	-26.8	174.3	73.8	0	0	0	0	112.8	N335 V351 L356 Q359 C365 Y366 D367 F371 H372	N335-V369 HydrophobicContact CB-CG1 4.44Å; N335-V369 WeakPolarHBondContact OD1-CG1 3.45Å; V351-V369 HydrophobicContact CB-CG1 4.36Å; V351-V369 HydrophobicContact CB-CG2 4.28Å; V351-V369 HydrophobicContact CG2-CG1 3.73Å; L356-V369 HydrophobicContact CD1-CG2 3.85Å; L356-V369 HydrophobicContact CG-CG2 4.25Å; Q359-V369 VanDerWaalsContact OE1-CA 3.27Å; C365-V369 HydrophobicContact CB-CB 4.25Å; C365-V369 HydrophobicContact CB-CG1 3.82Å; Y366-V369 WeakPolarHBondContact O-CB 3.38Å; Y366-V369 VanDerWaalsContact O-CG1 3.26Å; Y366-V369 WeakPolarHBondContact O-CG1 3.23Å; Y366-V369 PolarHBondContact O-N 2.94Å; D367-V369 PolarHBondContact O-N 2.67Å; D367-V369 VanDerWaalsContact O-N 3.12Å; V369-F371 PolarHBondContact O-N 3.19Å; V369-F371 VanDerWaalsContact O-N 3.11Å; V369-H372 VanDerWaalsContact O-CB 3.28Å; V369-H372 WeakPolarHBondContact O-CB 3.43Å; V369-H372 PolarHBondContact O-N 3.09Å
370	L	96.9	Very high	92.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-61.5	-21.6	-179.8	-72.2	162.9	0	0	0	113.4	N333 N335 V351 D367 E368 L389 T391	N333-L370 HydrophobicContact CB-CD2 3.84Å; N333-L370 PolarHBondContact ND2-O 2.99Å; N333-L370 VanDerWaalsContact ND2-O 3.14Å; N333-L370 VanDerWaalsContact O-CD2 3.31Å; N333-L370 WeakPolarHBondContact O-CD2 3.35Å; N335-L370 HydrophobicContact CB-CD1 4.17Å; N335-L370 HydrophobicContact CB-CD2 3.85Å; N335-L370 HydrophobicContact CB-CG 3.95Å; V351-L370 HydrophobicContact CG2-CD2 3.74Å; V351-L370 HydrophobicContact CG2-CG 4.29Å; D367-L370 HydrophobicContact CB-CD1 4.16Å; D367-L370 VanDerWaalsContact O-CB 3.28Å; D367-L370 WeakPolarHBondContact O-CB 3.27Å; D367-L370 WeakPolarHBondContact O-CG 3.5Å; D367-L370 PolarHBondContact O-N 2.76Å; E368-L370 PolarHBondContact O-N 2.87Å; L370-L389 HydrophobicContact CB-CD2 4.36Å; L370-L389 HydrophobicContact CD1-CB 4.29Å; L370-T391 HydrophobicContact CD1-CG2 3.82Å
371	F	96.4	Very high	92.7	Very high	23 Å²	23	49.4 Å²	49.4	10%	0.101	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-88.1	-7.7	178.8	-63	-85.6	0	0	0	113.5	E368 V369 G373 L374 L389 I441 K444 A445 L448	E368-F371 PolarHBondContact O-N 2.85Å; V369-F371 PolarHBondContact O-N 3.19Å; V369-F371 VanDerWaalsContact O-N 3.11Å; F371-G373 PolarHBondContact O-N 3.41Å; F371-L374 HydrophobicContact CD1-CD2 4.03Å; F371-L374 WeakPolarHBondContact O-CB 3.48Å; F371-L374 PolarHBondContact O-N 2.63Å; F371-L374 VanDerWaalsContact O-N 3.08Å; F371-L389 HydrophobicContact CE1-CD1 4.27Å; F371-L389 HydrophobicContact CZ-CD1 4.32Å; F371-I441 HydrophobicContact CE2-CD1 4.17Å; F371-I441 HydrophobicContact CE2-CG2 4.1Å; F371-I441 HydrophobicContact CZ-CG2 4.36Å; F371-K444 HydrophobicContact CD1-CG 4.48Å; F371-K444 HydrophobicContact CD2-CD 3.99Å; F371-K444 HydrophobicContact CE1-CB 4.49Å; F371-K444 HydrophobicContact CE1-CD 4.49Å; F371-K444 HydrophobicContact CE1-CG 4.14Å; F371-K444 HydrophobicContact CE2-CB 4.42Å; F371-K444 HydrophobicContact CE2-CD 3.93Å; F371-K444 HydrophobicContact CE2-CG 4.29Å; F371-K444 HydrophobicContact CG-CD 4.29Å; F371-K444 HydrophobicContact CZ-CB 4.03Å; F371-K444 HydrophobicContact CZ-CD 4.2Å; F371-K444 HydrophobicContact CZ-CG 4.04Å; F371-A445 HydrophobicContact CE1-CB 3.95Å; F371-A445 HydrophobicContact CZ-CB 3.99Å; F371-L448 HydrophobicContact CD1-CD2 4.1Å; F371-L448 HydrophobicContact CE1-CD2 4.38Å
372	H	94.2	Very high	93.2	Very high	94 Å²	94	54.4 Å²	54.4	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	119.1	-178.8	179.3	-81.8	0	0	0	111.1	L354 L356 V369 L374	L354-H372 HydrophobicContact CD1-CB 4.49Å; L356-H372 HydrophobicContact CD1-CB 3.98Å; L356-H372 VanDerWaalsContact CD1-CD2 3.46Å; L356-H372 WeakPolarHBondContact CD1-CD2 3.33Å; V369-H372 VanDerWaalsContact O-CB 3.28Å; V369-H372 WeakPolarHBondContact O-CB 3.43Å; V369-H372 PolarHBondContact O-N 3.09Å; H372-L374 PolarHBondContact O-N 3.3Å
373	G	93.9	Very high	93.9	Very high	40 Å²	40	49.4 Å²	49.4	41%	0.412	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-1.7	-177.1	0	0	0	0	0	114.7	F371 E376 Y377	F371-G373 PolarHBondContact O-N 3.41Å; G373-E376 PolarHBondContact O-N 2.99Å; G373-Y377 PolarHBondContact O-N 2.99Å; G373-Y377 VanDerWaalsContact O-N 3.07Å
374	L	95.6	Very high	94.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-38.7	-174.9	-169.3	60.5	0	0	0	112.5	L331 F371 H372 Y377 I378 I387 L389 L448	L331-L374 HydrophobicContact CD2-CD1 4.3Å; F371-L374 HydrophobicContact CD1-CD2 4.03Å; F371-L374 WeakPolarHBondContact O-CB 3.48Å; F371-L374 PolarHBondContact O-N 2.63Å; F371-L374 VanDerWaalsContact O-N 3.08Å; H372-L374 PolarHBondContact O-N 3.3Å; L374-Y377 WeakPolarHBondContact O-CB 3.06Å; L374-Y377 PolarHBondContact O-N 3.47Å; L374-I378 HydrophobicContact CG-CD1 4.18Å; L374-I378 VanDerWaalsContact O-CG1 3.32Å; L374-I378 WeakPolarHBondContact O-CG1 3.07Å; L374-I378 PolarHBondContact O-N 2.68Å; L374-I387 HydrophobicContact CD1-CD1 4Å; L374-I387 HydrophobicContact CD1-CG2 3.83Å; L374-L389 HydrophobicContact CD2-CD1 4.29Å; L374-L389 HydrophobicContact CD2-CD2 4.06Å; L374-L448 HydrophobicContact CD2-CD2 3.8Å; L374-L448 HydrophobicContact CG-CD2 4.18Å
375	E	94.7	Very high	95.1	Very high	109 Å²	109	46 Å²	46	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-39.6	177.2	-172.5	-179.9	173.4	0	0	112	I378 N379 L448	E375-I378 PolarHBondContact O-N 3.43Å; E375-N379 WeakPolarHBondContact O-CB 3.49Å; E375-N379 PolarHBondContact O-N 3.08Å; E375-N379 PolarHBondContact O-ND2 3.39Å; E375-L448 HydrophobicContact CB-CD1 4.36Å; E375-L448 HydrophobicContact CG-CD1 4.38Å
376	E	95.1	Very high	95.3	Very high	138 Å²	138	45.6 Å²	45.6	65%	0.645	23%	0.234	S	C	*	.	H	α-helix	trans	-65.5	-40.7	175	-176	177.3	-179.3	0	0	111.2	G373 N379 N380	G373-E376 PolarHBondContact O-N 2.99Å; E376-N379 PolarHBondContact O-N 3.26Å; E376-N380 PolarHBondContact O-N 3.01Å; E376-N380 VanDerWaalsContact O-N 3.15Å; E376-N380 PolarHBondContact O-ND2 3.14Å
377	Y	96.4	Very high	95.5	Very high	68 Å²	68	44 Å²	44	27%	0.267	23%	0.228	S	C	.	.	H	α-helix	trans	-59.7	-49.4	174.1	176.6	-93.5	0	0	0	111.7	L331 G373 L374 N379 N380 L381 I387	L331-Y377 HydrophobicContact CB-CE1 4.07Å; L331-Y377 HydrophobicContact CB-CE2 4.4Å; L331-Y377 HydrophobicContact CD2-CD1 3.76Å; L331-Y377 HydrophobicContact CD2-CD2 3.93Å; L331-Y377 HydrophobicContact CD2-CE1 3.76Å; L331-Y377 HydrophobicContact CD2-CE2 3.93Å; L331-Y377 HydrophobicContact CD2-CG 3.84Å; G373-Y377 PolarHBondContact O-N 2.99Å; G373-Y377 VanDerWaalsContact O-N 3.07Å; L374-Y377 WeakPolarHBondContact O-CB 3.06Å; L374-Y377 PolarHBondContact O-N 3.47Å; Y377-N379 VanDerWaalsContact C-N 3.32Å; Y377-N379 PolarHBondContact O-N 3.08Å; Y377-N380 CarbonylContact O-C 3.59Å; Y377-N380 PolarHBondContact O-N 2.84Å; Y377-L381 HydrophobicContact CE1-CD1 4.01Å; Y377-L381 PolarHBondContact O-N 3.25Å; Y377-I387 HydrophobicContact CD1-CD1 4.11Å; Y377-I387 HydrophobicContact CD1-CG1 4.45Å; Y377-I387 HydrophobicContact CE1-CD1 4.1Å; Y377-I387 HydrophobicContact CE1-CG1 4.04Å
378	I	96.7	Very high	95.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-41.2	179.5	-67.3	166.2	0	0	0	110.9	L247 L374 E375 N380 L381 I387 L448 H452 F456	L247-I378 HydrophobicContact CD2-CD1 4.32Å; L247-I378 HydrophobicContact CD2-CG1 4.22Å; L247-I378 HydrophobicContact CD2-CG2 3.75Å; L374-I378 HydrophobicContact CG-CD1 4.18Å; L374-I378 VanDerWaalsContact O-CG1 3.32Å; L374-I378 WeakPolarHBondContact O-CG1 3.07Å; L374-I378 PolarHBondContact O-N 2.68Å; E375-I378 PolarHBondContact O-N 3.43Å; I378-N380 VanDerWaalsContact C-N 3.26Å; I378-N380 PolarHBondContact O-N 2.96Å; I378-L381 VanDerWaalsContact O-CB 3.26Å; I378-L381 WeakPolarHBondContact O-CB 3.38Å; I378-L381 PolarHBondContact O-N 3.49Å; I378-I387 HydrophobicContact CD1-CD1 4.07Å; I378-I387 HydrophobicContact CG1-CD1 3.7Å; I378-L448 HydrophobicContact CD1-CD1 4.42Å; I378-L448 HydrophobicContact CD1-CD2 3.75Å; I378-L448 HydrophobicContact CD1-CG 4.02Å; I378-H452 HydrophobicContact CG2-CB 4.35Å; I378-H452 WeakPolarHBondContact CG2-CD2 3.44Å; I378-F456 HydrophobicContact CG2-CD2 4.42Å; I378-F456 HydrophobicContact CG2-CE2 3.94Å
379	N	95.3	Very high	95.6	Very high	68 Å²	68	42 Å²	42	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-65.2	-29.1	179	-84.2	-53.9	0	0	0	113.8	E375 E376 Y377 K455	E375-N379 WeakPolarHBondContact O-CB 3.49Å; E375-N379 PolarHBondContact O-N 3.08Å; E375-N379 PolarHBondContact O-ND2 3.39Å; E376-N379 PolarHBondContact O-N 3.26Å; Y377-N379 VanDerWaalsContact C-N 3.32Å; Y377-N379 PolarHBondContact O-N 3.08Å; N379-K455 PolarHBondContact OD1-NZ 2.86Å
380	N	95.8	Very high	95.8	Very high	113 Å²	113	42 Å²	42	60%	0.604	22%	0.218	S	C	*	.	H	α-helix	trans	-93.4	-2.7	177.7	-69.3	-43.2	0	0	0	113.5	E376 Y377 I378 Q382	E376-N380 PolarHBondContact O-N 3.01Å; E376-N380 VanDerWaalsContact O-N 3.15Å; E376-N380 PolarHBondContact O-ND2 3.14Å; Y377-N380 CarbonylContact O-C 3.59Å; Y377-N380 PolarHBondContact O-N 2.84Å; I378-N380 VanDerWaalsContact C-N 3.26Å; I378-N380 PolarHBondContact O-N 2.96Å; N380-Q382 PolarHBondContact O-N 2.7Å
381	L	94.6	Very high	95.8	Very high	21 Å²	21	42.1 Å²	42.1	11%	0.11	22%	0.219	C	C	.	.			trans	-67.2	124	-176.9	-172.1	68.4	0	0	0	111.2	L247 N329 Y377 I378 F456	L247-L381 HydrophobicContact CD1-CD2 3.79Å; N329-L381 HydrophobicContact CB-CD1 3.62Å; Y377-L381 HydrophobicContact CE1-CD1 4.01Å; Y377-L381 PolarHBondContact O-N 3.25Å; I378-L381 VanDerWaalsContact O-CB 3.26Å; I378-L381 WeakPolarHBondContact O-CB 3.38Å; I378-L381 PolarHBondContact O-N 3.49Å; L381-F456 HydrophobicContact CB-CZ 4.13Å; L381-F456 HydrophobicContact CD2-CE1 3.98Å; L381-F456 HydrophobicContact CD2-CZ 4.08Å; L381-F456 HydrophobicContact CG-CZ 4.46Å
382	Q	90.2	Very high	95.7	Very high	173 Å²	173	41.6 Å²	41.6	81%	0.808	22%	0.217	S	C	*	.			trans	-104.9	115.4	175.2	-62.9	-174.2	5.7	0	0	110.2	N329 N380	N329-Q382 PolarHBondContact ND2-O 2.91Å; N380-Q382 PolarHBondContact O-N 2.7Å
383	G	92.2	Very high	95.8	Very high	27 Å²	27	37.2 Å²	37.2	28%	0.278	20%	0.198	S	C	.	.	S	Bend	trans	92.4	-160.3	-178.7	0	0	0	0	0	112.8	K245	K245-G383 WeakPolarHBondContact CB-O 3.28Å
384	D	95	Very high	95.9	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.011	18%	0.178	C	C	.	.			trans	-76.8	154	178.3	-65.4	1.7	0	0	0	110.1	R235 K245 N246 I328 N329	R235-D384 IonicContact CZ-OD2 2.86Å; R235-D384 IonicContact NE-OD2 3.49Å; R235-D384 IonicContact NH2-OD1 3.78Å; R235-D384 PolarHBondContact NH2-OD1 3.24Å; R235-D384 IonicContact NH2-OD2 3.81Å; R235-D384 PolarHBondContact NH2-OD2 3.09Å; K245-D384 WeakPolarHBondContact CA-OD1 3.41Å; K245-D384 VanDerWaalsContact CB-OD1 3.27Å; K245-D384 WeakPolarHBondContact CB-OD1 3.1Å; N246-D384 HydrophobicContact CB-CB 4.33Å; N246-D384 PolarHBondContact N-OD1 3.34Å; N246-D384 CarbonylContact O-C 3.54Å; N246-D384 WeakPolarHBondContact O-CA 3.35Å; N246-D384 WeakPolarHBondContact O-CB 3.48Å; I328-D384 HydrophobicContact CD1-CB 4.48Å; I328-D384 HydrophobicContact CG1-CB 4.19Å; I328-D384 HydrophobicContact CG2-CB 3.96Å; N329-D384 PolarHBondContact N-O 3.05Å; N329-D384 PolarHBondContact ND2-O 2.62Å
385	G	96.5	Very high	95.7	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.4	177.8	0	0	0	0	0	114.8	N246 L247 T248 N329	N246-G385 PolarHBondContact O-N 2.91Å; L247-G385 WeakPolarHBondContact CA-O 3.37Å; T248-G385 PolarHBondContact N-O 2.6Å; N329-G385 CarbonylContact O-C 3.48Å; N329-G385 VanDerWaalsContact O-CA 3.26Å; N329-G385 WeakPolarHBondContact O-CA 3.42Å
386	V	98.4	Very high	95.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.8	167.8	179.5	0	0	0	0	108.4	T248 L320 I323 I328 N329 V330 L331 V388 T535	T248-V386 CarbonylContact O-C 3.56Å; T248-V386 WeakPolarHBondContact O-CA 3.47Å; L320-V386 HydrophobicContact CD2-CG1 4.4Å; I323-V386 HydrophobicContact CD1-CG2 4.47Å; I323-V386 HydrophobicContact CG2-CG2 3.95Å; I328-V386 HydrophobicContact CG2-CG2 4.21Å; N329-V386 PolarHBondContact O-N 2.97Å; V330-V386 WeakPolarHBondContact CA-O 3.37Å; L331-V386 PolarHBondContact N-O 2.9Å; V386-V388 HydrophobicContact CG1-CG2 4.41Å; V386-T535 HydrophobicContact CG2-CG2 3.39Å
387	I	98.4	Very high	95.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.5	176.6	-65.2	164	0	0	0	107.3	L247 T248 I249 L250 L331 L374 Y377 I378 L389	L247-I387 HydrophobicContact CD1-CD1 3.88Å; L247-I387 HydrophobicContact CD1-CG1 4.4Å; T248-I387 PolarHBondContact O-N 3.47Å; I249-I387 CarbonylContact C-O 3.38Å; I249-I387 VanDerWaalsContact CA-O 3.29Å; I249-I387 WeakPolarHBondContact CA-O 3.35Å; I249-I387 HydrophobicContact CG1-CB 4.18Å; L250-I387 PolarHBondContact N-O 3.46Å; L331-I387 CarbonylContact O-C 3.35Å; L331-I387 WeakPolarHBondContact O-CA 3.33Å; L374-I387 HydrophobicContact CD1-CD1 4Å; L374-I387 HydrophobicContact CD1-CG2 3.83Å; Y377-I387 HydrophobicContact CD1-CD1 4.11Å; Y377-I387 HydrophobicContact CD1-CG1 4.45Å; Y377-I387 HydrophobicContact CE1-CD1 4.1Å; Y377-I387 HydrophobicContact CE1-CG1 4.04Å; I378-I387 HydrophobicContact CD1-CD1 4.07Å; I378-I387 HydrophobicContact CG1-CD1 3.7Å; I387-L389 HydrophobicContact CG2-CD2 3.7Å; I387-L389 HydrophobicContact CG2-CG 4.22Å
388	V	98.5	Very high	95.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.2	173.4	-171	0	0	0	0	109.2	L250 V252 F300 L320 L331 W332 N333 V386	L250-V388 HydrophobicContact CB-CG2 4.35Å; L250-V388 HydrophobicContact CD2-CG1 4.27Å; L250-V388 HydrophobicContact CD2-CG2 4.24Å; L250-V388 HydrophobicContact CG-CG1 4.34Å; L250-V388 CarbonylContact O-C 3.53Å; L250-V388 VanDerWaalsContact O-CA 3.24Å; L250-V388 WeakPolarHBondContact O-CA 3.41Å; V252-V388 HydrophobicContact CG2-CG1 3.77Å; F300-V388 HydrophobicContact CZ-CG1 4.32Å; L320-V388 HydrophobicContact CD1-CG2 4.05Å; L320-V388 HydrophobicContact CD2-CG2 4.06Å; L331-V388 PolarHBondContact O-N 3.48Å; W332-V388 CarbonylContact C-O 3.6Å; W332-V388 WeakPolarHBondContact CA-O 3.3Å; W332-V388 HydrophobicContact CB-CB 4.42Å; W332-V388 HydrophobicContact CD2-CB 3.95Å; W332-V388 HydrophobicContact CD2-CG1 3.84Å; W332-V388 HydrophobicContact CE3-CB 3.65Å; W332-V388 HydrophobicContact CE3-CG1 3.52Å; W332-V388 HydrophobicContact CE3-CG2 3.95Å; W332-V388 HydrophobicContact CG-CB 4.32Å; W332-V388 HydrophobicContact CH2-CG1 4.02Å; W332-V388 HydrophobicContact CZ2-CG1 4.31Å; W332-V388 HydrophobicContact CZ3-CB 4.23Å; W332-V388 HydrophobicContact CZ3-CG1 3.63Å; W332-V388 HydrophobicContact CZ3-CG2 4.41Å; N333-V388 PolarHBondContact N-O 3.34Å; V386-V388 HydrophobicContact CG1-CG2 4.41Å
389	L	98.4	Very high	95	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.1	174.3	-54	-177.3	0	0	0	108.1	I249 L250 I251 V252 N333 L370 F371 L374 I387	I249-L389 HydrophobicContact CG2-CD1 3.95Å; I249-L389 HydrophobicContact CG2-CG 4.12Å; L250-L389 PolarHBondContact O-N 2.95Å; I251-L389 CarbonylContact C-O 3.52Å; I251-L389 VanDerWaalsContact CA-O 3.32Å; I251-L389 WeakPolarHBondContact CA-O 3.35Å; I251-L389 HydrophobicContact CG1-CB 4.31Å; I251-L389 HydrophobicContact CG1-CD1 4.36Å; V252-L389 PolarHBondContact N-O 2.74Å; N333-L389 HydrophobicContact CB-CD2 3.95Å; L370-L389 HydrophobicContact CB-CD2 4.36Å; L370-L389 HydrophobicContact CD1-CB 4.29Å; F371-L389 HydrophobicContact CE1-CD1 4.27Å; F371-L389 HydrophobicContact CZ-CD1 4.32Å; L374-L389 HydrophobicContact CD2-CD1 4.29Å; L374-L389 HydrophobicContact CD2-CD2 4.06Å; I387-L389 HydrophobicContact CG2-CD2 3.7Å; I387-L389 HydrophobicContact CG2-CG 4.22Å
390	H	97.9	Very high	95	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.7	179.7	-172.6	-150.9	0	0	0	109.7	V252 W332 N333 D334 N335 D336	V252-H390 HydrophobicContact CB-CB 4.5Å; W332-H390 HydrophobicContact CZ2-CB 3.72Å; W332-H390 AromaticContact CZ2-CG 3.8Å; W332-H390 AromaticContact CZ2-ND1 3.85Å; N333-H390 PolarHBondContact O-N 3.41Å; D334-H390 IonicContact OD1-CE1 2.68Å; D334-H390 IonicContact OD1-CG 3.75Å; D334-H390 IonicContact OD1-ND1 3.32Å; D334-H390 PolarHBondContact OD1-ND1 3.11Å; N335-H390 WeakPolarHBondContact CB-O 3.42Å; N335-H390 PolarHBondContact N-O 2.8Å; D336-H390 IonicContact OD2-CE1 2.74Å; D336-H390 IonicContact OD2-NE2 3.96Å
391	T	97.3	Very high	94.8	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	10%	0.096	C	C	.	.			trans	-89.9	149.4	-172	64.3	0	0	0	0	111.8	I251 V252 G253 E254 D367 L370 I441	I251-T391 HydrophobicContact CG2-CG2 3.69Å; V252-T391 PolarHBondContact O-N 3.5Å; V252-T391 PolarHBondContact O-OG1 3.44Å; V252-T391 VanDerWaalsContact O-OG1 3.14Å; G253-T391 WeakPolarHBondContact CA-OG1 3.31Å; E254-T391 WeakPolarHBondContact CB-O 3.47Å; E254-T391 PolarHBondContact N-OG1 2.81Å; D367-T391 HydrophobicContact CB-CG2 4.47Å; D367-T391 VanDerWaalsContact OD1-CA 3.23Å; D367-T391 WeakPolarHBondContact OD1-CA 3.47Å; D367-T391 WeakPolarHBondContact OD1-CB 3.33Å; L370-T391 HydrophobicContact CD1-CG2 3.82Å; T391-I441 HydrophobicContact CG2-CG2 4.49Å
392	I	94.7	Very high	94.8	Very high	13 Å²	13	17.5 Å²	17.5	7%	0.067	9%	0.092	C	C	.	.			trans	-73.4	-19.7	163.2	-159.2	167.3	0	0	0	111.5	E364 D367 S394 H395	E364-I392 HydrophobicContact CB-CD1 4.19Å; E364-I392 HydrophobicContact CG-CD1 4.25Å; D367-I392 PolarHBondContact OD1-N 3.25Å; I392-S394 PolarHBondContact O-N 3.41Å; I392-H395 HydrophobicContact CG1-CB 4.34Å; I392-H395 VanDerWaalsContact O-CB 3.25Å; I392-H395 WeakPolarHBondContact O-CB 3.42Å; I392-H395 PolarHBondContact O-N 3.3Å
393	G	95.4	Very high	95.1	Very high	2 Å²	2	9.5 Å²	9.5	2%	0.021	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-128.3	164.6	0	0	0	0	0	113.6	D367 R402	D367-G393 PolarHBondContact OD2-N 2.95Å; D367-G393 VanDerWaalsContact OD2-N 3.11Å; G393-R402 VanDerWaalsContact O-CB 3.32Å; G393-R402 WeakPolarHBondContact O-CB 3.39Å; G393-R402 WeakPolarHBondContact O-CG 3.44Å
394	S	96.4	Very high	95.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	20.8	-175.5	-63	0	0	0	0	113.5	E254 T255 I392 G396 Y399 T434 L435	E254-S394 PolarHBondContact O-N 3.03Å; T255-S394 WeakPolarHBondContact OG1-CA 3.27Å; T255-S394 PolarHBondContact OG1-O 3.1Å; T255-S394 VanDerWaalsContact OG1-O 3.12Å; I392-S394 PolarHBondContact O-N 3.41Å; S394-G396 PolarHBondContact O-N 3.32Å; S394-Y399 WeakPolarHBondContact O-CD1 3.49Å; S394-Y399 VanDerWaalsContact O-CE1 3.25Å; S394-Y399 WeakPolarHBondContact O-CE1 3.43Å; S394-T434 VanDerWaalsContact CB-OG1 3.3Å; S394-T434 WeakPolarHBondContact CB-OG1 3.43Å; S394-T434 PolarHBondContact OG-OG1 2.68Å; S394-L435 WeakPolarHBondContact OG-CD2 3.38Å
395	H	92.4	Very high	95.2	Very high	28 Å²	28	13 Å²	13	13%	0.13	7%	0.073	C	C	.	.			trans	-61.4	128.6	-167.9	-168	-71.7	0	0	0	112.8	E254 T255 I392 H478	E254-H395 HydrophobicContact CG-CB 3.88Å; E254-H395 IonicContact OE1-CD2 3.83Å; E254-H395 PolarHBondContact OE1-CD2 2.8Å; T255-H395 WeakPolarHBondContact OG1-CA 3.37Å; T255-H395 PolarHBondContact OG1-N 2.9Å; I392-H395 HydrophobicContact CG1-CB 4.34Å; I392-H395 VanDerWaalsContact O-CB 3.25Å; I392-H395 WeakPolarHBondContact O-CB 3.42Å; I392-H395 PolarHBondContact O-N 3.3Å; H395-H478 AromaticContact NE2-CE1 3.8Å
396	G	90.2	Very high	95.1	Very high	5 Å²	5	19.6 Å²	19.6	5%	0.052	10%	0.103	C	C	.	.	S	Bend	trans	-86.5	176.6	-180	0	0	0	0	0	114.7	S394 T398	S394-G396 PolarHBondContact O-N 3.32Å; G396-T398 VanDerWaalsContact C-N 3.34Å
397	P	90.7	Very high	95	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.019	11%	0.106	C	C	.	.	S	Bend	cis	-81	-7.7	-7.2	34.3	-37.2	0	0	0	113.4	L129 Y399 N417 I419 L477	L129-P397 HydrophobicContact CD2-CG 3.98Å; P397-Y399 VanDerWaalsContact O-CD2 3.32Å; P397-Y399 WeakPolarHBondContact O-CD2 3.38Å; P397-Y399 PolarHBondContact O-N 3.49Å; P397-Y399 VanDerWaalsContact O-N 3.1Å; P397-N417 HydrophobicContact CB-CB 4.46Å; P397-N417 HydrophobicContact CG-CB 4.02Å; P397-I419 HydrophobicContact CB-CD1 4.13Å; P397-I419 HydrophobicContact CB-CG1 4.46Å; P397-I419 HydrophobicContact CB-CG2 4.07Å; P397-I419 VanDerWaalsContact O-CG2 3.29Å; P397-I419 WeakPolarHBondContact O-CG2 3.37Å; P397-L477 HydrophobicContact CB-CD2 4.12Å
398	T	92.1	Very high	94.9	Very high	4 Å²	4	25 Å²	25	3%	0.025	12%	0.123	C	C	.	.			trans	-88.2	50.4	-174.8	52.5	0	0	0	0	112.4	A128 G396 Y400 N401 R402 N417	A128-T398 HydrophobicContact CB-CG2 3.95Å; G396-T398 VanDerWaalsContact C-N 3.34Å; T398-Y400 HydrophobicContact CG2-CE1 4.1Å; T398-Y400 PolarHBondContact O-N 2.86Å; T398-N401 WeakPolarHBondContact O-CB 3.31Å; T398-N401 PolarHBondContact O-N 2.7Å; T398-R402 PolarHBondContact OG1-NH2 2.95Å; T398-N417 HydrophobicContact CG2-CB 3.86Å
399	Y	94.8	Very high	94.8	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-52.1	-35.1	-178.5	-52.5	-71.4	0	0	0	113.3	S394 P397 N401 R402 Y403 I419 L427 Y431 E468 L470	S394-Y399 WeakPolarHBondContact O-CD1 3.49Å; S394-Y399 VanDerWaalsContact O-CE1 3.25Å; S394-Y399 WeakPolarHBondContact O-CE1 3.43Å; P397-Y399 VanDerWaalsContact O-CD2 3.32Å; P397-Y399 WeakPolarHBondContact O-CD2 3.38Å; P397-Y399 PolarHBondContact O-N 3.49Å; P397-Y399 VanDerWaalsContact O-N 3.1Å; Y399-N401 PolarHBondContact O-N 2.92Å; Y399-R402 WeakPolarHBondContact O-CB 3.16Å; Y399-R402 PolarHBondContact O-N 3.5Å; Y399-Y403 WeakPolarHBondContact O-CD1 3.49Å; Y399-Y403 VanDerWaalsContact O-CE1 3.29Å; Y399-Y403 WeakPolarHBondContact O-CE1 3.42Å; Y399-I419 HydrophobicContact CD2-CG2 4.27Å; Y399-I419 HydrophobicContact CE2-CD1 4.02Å; Y399-I419 HydrophobicContact CE2-CG2 4.06Å; Y399-L427 HydrophobicContact CD2-CD1 3.74Å; Y399-L427 HydrophobicContact CE2-CD1 3.6Å; Y399-Y431 HydrophobicContact CD1-CD2 4.02Å; Y399-Y431 AromaticContact CE1-CD2 3.94Å; Y399-Y431 HydrophobicContact CE1-CD2 3.94Å; Y399-Y431 HydrophobicContact CE1-CE2 4.45Å; Y399-E468 HydrophobicContact CE1-CG 4.14Å; Y399-E468 WeakPolarHBondContact OH-CG 3.44Å; Y399-E468 PolarHBondContact OH-OE1 2.9Å; Y399-L470 HydrophobicContact CE1-CD2 4.5Å; Y399-L470 HydrophobicContact CE2-CD2 4.39Å
400	Y	94.2	Very high	94.7	Very high	52 Å²	52	30.9 Å²	30.9	20%	0.204	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-66.4	-16	179.7	63.8	-89	0	0	0	114	T398 D415	T398-Y400 HydrophobicContact CG2-CE1 4.1Å; T398-Y400 PolarHBondContact O-N 2.86Å; Y400-D415 HydrophobicContact CD2-CB 4.48Å; Y400-D415 HydrophobicContact CG-CB 4.31Å
401	N	93.2	Very high	94.7	Very high	48 Å²	48	35.3 Å²	35.3	26%	0.257	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-91.4	-7.8	172.4	-72.7	-15.1	0	0	0	112.7	Y366 T398 Y399 Y403	Y366-N401 VanDerWaalsContact CE1-O 3.23Å; Y366-N401 WeakPolarHBondContact CE1-O 3.4Å; T398-N401 WeakPolarHBondContact O-CB 3.31Å; T398-N401 PolarHBondContact O-N 2.7Å; Y399-N401 PolarHBondContact O-N 2.92Å; N401-Y403 VanDerWaalsContact C-N 3.31Å
402	R	94.8	Very high	94.7	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.019	20%	0.197	C	C	.	.	S	Bend	trans	-82	-9.4	-177	-57.2	-55.7	97.7	146	7.9	113.6	E364 G393 T398 Y399 T434 Y437	E364-R402 IonicContact OE1-CZ 3.09Å; E364-R402 IonicContact OE1-NH1 2.73Å; E364-R402 PolarHBondContact OE1-NH1 3.31Å; E364-R402 IonicContact OE1-NH2 3.42Å; E364-R402 PolarHBondContact OE1-NH2 2.99Å; E364-R402 IonicContact OE2-CZ 3.69Å; E364-R402 IonicContact OE2-NH1 3.7Å; E364-R402 IonicContact OE2-NH2 2.79Å; E364-R402 PolarHBondContact OE2-NH2 3.23Å; G393-R402 VanDerWaalsContact O-CB 3.32Å; G393-R402 WeakPolarHBondContact O-CB 3.39Å; G393-R402 WeakPolarHBondContact O-CG 3.44Å; T398-R402 PolarHBondContact OG1-NH2 2.95Å; Y399-R402 WeakPolarHBondContact O-CB 3.16Å; Y399-R402 PolarHBondContact O-N 3.5Å; R402-T434 HydrophobicContact CB-CG2 3.95Å; R402-T434 HydrophobicContact CG-CG2 4.38Å; R402-Y437 WeakPolarHBondContact O-CD1 3.4Å
403	Y	95.8	Very high	94.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.016	20%	0.2	C	C	.	.	S	Bend	trans	-136.3	141	179.9	57.2	-93.2	0	0	0	111.8	Y366 Y399 N401 F407 R408 T430 N433 T434	Y366-Y403 VanDerWaalsContact CE1-C 3.45Å; Y399-Y403 WeakPolarHBondContact O-CD1 3.49Å; Y399-Y403 VanDerWaalsContact O-CE1 3.29Å; Y399-Y403 WeakPolarHBondContact O-CE1 3.42Å; N401-Y403 VanDerWaalsContact C-N 3.31Å; Y403-F407 HydrophobicContact CD2-CB 4.41Å; Y403-R408 HydrophobicContact CE2-CB 3.92Å; Y403-R408 HydrophobicContact CE2-CG 4.14Å; Y403-T430 HydrophobicContact CE1-CG2 4.03Å; Y403-T430 VanDerWaalsContact CE1-O 3.27Å; Y403-T430 WeakPolarHBondContact CE1-O 3.48Å; Y403-T430 WeakPolarHBondContact OH-CG2 3.48Å; Y403-N433 HydrophobicContact CD1-CB 3.83Å; Y403-N433 HydrophobicContact CD2-CB 4.08Å; Y403-N433 HydrophobicContact CE1-CB 3.47Å; Y403-N433 VanDerWaalsContact CE1-CB 3.47Å; Y403-N433 HydrophobicContact CE2-CB 3.75Å; Y403-N433 HydrophobicContact CG-CB 4.12Å; Y403-N433 VanDerWaalsContact CZ-CB 3.42Å; Y403-N433 PolarHBondContact OH-ND2 3.01Å; Y403-T434 HydrophobicContact CD1-CG2 3.79Å; Y403-T434 HydrophobicContact CE1-CG2 4Å
404	P	94.9	Very high	94.8	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.052	20%	0.2	C	C	.	.			trans	-63.3	156.9	172.5	-24.3	33.5	0	0	0	112.9	Y366 Q406 F407 Y437	Y366-P404 HydrophobicContact CD1-CG 4Å; Y366-P404 HydrophobicContact CD2-CG 3.95Å; Y366-P404 HydrophobicContact CE1-CG 4.1Å; Y366-P404 HydrophobicContact CE2-CB 4.46Å; Y366-P404 HydrophobicContact CE2-CG 4.08Å; Y366-P404 HydrophobicContact CG-CG 3.92Å; P404-Q406 VanDerWaalsContact CB-CD 3.42Å; P404-Q406 VanDerWaalsContact CB-NE2 3.31Å; P404-Q406 PolarHBondContact O-N 2.69Å; P404-F407 HydrophobicContact CB-CD2 4.03Å; P404-F407 HydrophobicContact CB-CE2 4.46Å; P404-F407 HydrophobicContact CG-CD2 4.04Å; P404-F407 HydrophobicContact CG-CE2 4.24Å; P404-F407 PolarHBondContact O-N 2.64Å; P404-Y437 HydrophobicContact CG-CE2 4.01Å
405	P	93.6	Very high	94.6	Very high	96 Å²	96	42.5 Å²	42.5	62%	0.623	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-52.9	-32.3	-176.1	-28.9	35.7	0	0	0	115.6	F407 R408	P405-F407 PolarHBondContact O-N 3.03Å; P405-R408 VanDerWaalsContact O-CB 3.25Å; P405-R408 WeakPolarHBondContact O-CB 3.48Å; P405-R408 PolarHBondContact O-N 2.74Å
406	Q	94.9	Very high	94.6	Very high	140 Å²	140	43 Å²	43	65%	0.654	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-68.1	-17.5	179	66.4	-85.2	19.1	0	0	114.3	P404	P404-Q406 VanDerWaalsContact CB-CD 3.42Å; P404-Q406 VanDerWaalsContact CB-NE2 3.31Å; P404-Q406 PolarHBondContact O-N 2.69Å
407	F	96.6	Very high	94.5	Very high	14 Å²	14	44 Å²	44	6%	0.061	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-94.3	3.7	176.7	-64.8	-83.9	0	0	0	112.9	Y403 P404 P405 K409 N433 V436 Y437 Y440	Y403-F407 HydrophobicContact CD2-CB 4.41Å; P404-F407 HydrophobicContact CB-CD2 4.03Å; P404-F407 HydrophobicContact CB-CE2 4.46Å; P404-F407 HydrophobicContact CG-CD2 4.04Å; P404-F407 HydrophobicContact CG-CE2 4.24Å; P404-F407 PolarHBondContact O-N 2.64Å; P405-F407 PolarHBondContact O-N 3.03Å; F407-K409 PolarHBondContact O-N 3.07Å; F407-N433 PolarHBondContact O-OD1 3.47Å; F407-V436 HydrophobicContact CD1-CG1 4.25Å; F407-Y437 AromaticContact CD1-CD2 3.96Å; F407-Y437 HydrophobicContact CD1-CD2 3.96Å; F407-Y437 AromaticContact CD2-CD2 3.45Å; F407-Y437 HydrophobicContact CD2-CD2 3.45Å; F407-Y437 VanDerWaalsContact CD2-CD2 3.45Å; F407-Y437 AromaticContact CD2-CE2 3.88Å; F407-Y437 HydrophobicContact CD2-CE2 3.88Å; F407-Y437 HydrophobicContact CD2-CG 4.4Å; F407-Y437 AromaticContact CE1-CD2 3.96Å; F407-Y437 HydrophobicContact CE1-CD2 3.96Å; F407-Y437 AromaticContact CE2-CD2 3.44Å; F407-Y437 HydrophobicContact CE2-CD2 3.44Å; F407-Y437 VanDerWaalsContact CE2-CD2 3.44Å; F407-Y437 AromaticContact CE2-CE2 3.5Å; F407-Y437 HydrophobicContact CE2-CE2 3.5Å; F407-Y437 AromaticContact CG-CD2 3.73Å; F407-Y437 HydrophobicContact CG-CD2 3.73Å; F407-Y437 HydrophobicContact CG-CG 4.42Å; F407-Y437 AromaticContact CZ-CD2 3.71Å; F407-Y437 HydrophobicContact CZ-CD2 3.71Å; F407-Y437 AromaticContact CZ-CE2 3.91Å; F407-Y437 HydrophobicContact CZ-CE2 3.91Å; F407-Y440 AromaticContact CE1-CD1 3.99Å; F407-Y440 HydrophobicContact CE1-CD1 3.99Å; F407-Y440 HydrophobicContact CE1-CD2 4.2Å; F407-Y440 AromaticContact CE1-CG 3.63Å; F407-Y440 HydrophobicContact CE1-CG 3.63Å; F407-Y440 HydrophobicContact CE2-CD1 4.29Å; F407-Y440 AromaticContact CZ-CD1 3.47Å; F407-Y440 HydrophobicContact CZ-CD1 3.47Å; F407-Y440 VanDerWaalsContact CZ-CD1 3.47Å; F407-Y440 HydrophobicContact CZ-CD2 4.04Å; F407-Y440 AromaticContact CZ-CE1 3.9Å; F407-Y440 HydrophobicContact CZ-CE1 3.9Å; F407-Y440 HydrophobicContact CZ-CE2 4.41Å; F407-Y440 AromaticContact CZ-CG 3.53Å; F407-Y440 HydrophobicContact CZ-CG 3.53Å
408	R	96.5	Very high	94.3	Very high	98 Å²	98	45.7 Å²	45.7	37%	0.37	24%	0.236	S	C	.	.			trans	-74.9	70	175	-166.5	-178.6	-71.8	-148.9	-8.8	111.6	Y403 P405 T411 T413 D415	Y403-R408 HydrophobicContact CE2-CB 3.92Å; Y403-R408 HydrophobicContact CE2-CG 4.14Å; P405-R408 VanDerWaalsContact O-CB 3.25Å; P405-R408 WeakPolarHBondContact O-CB 3.48Å; P405-R408 PolarHBondContact O-N 2.74Å; R408-T411 HydrophobicContact CG-CG2 4.27Å; R408-T413 HydrophobicContact CG-CG2 3.92Å; R408-D415 IonicContact CZ-OD1 3.99Å; R408-D415 IonicContact CZ-OD2 3.3Å; R408-D415 VanDerWaalsContact CZ-OD2 3.3Å; R408-D415 IonicContact NH1-OD1 3.93Å; R408-D415 IonicContact NH1-OD2 2.8Å; R408-D415 PolarHBondContact NH1-OD2 3.01Å; R408-D415 IonicContact NH2-OD1 3.68Å; R408-D415 IonicContact NH2-OD2 3Å; R408-D415 PolarHBondContact NH2-OD2 3.17Å
409	K	96.1	Very high	94.2	Very high	93 Å²	93	45.6 Å²	45.6	40%	0.404	24%	0.235	S	C	.	.			trans	-78.2	-45.7	-177.1	-173.8	178.9	179.1	-176.5	0	112.8	E269 F407 N433 V436	E269-K409 PolarHBondContact O-NZ 2.89Å; E269-K409 IonicContact OE2-NZ 2.89Å; E269-K409 PolarHBondContact OE2-NZ 3.09Å; F407-K409 PolarHBondContact O-N 3.07Å; K409-N433 PolarHBondContact N-OD1 2.98Å; K409-V436 HydrophobicContact CD-CG2 4.38Å
410	F	97.4	Very high	93.8	Very high	32 Å²	32	47.7 Å²	47.7	14%	0.14	25%	0.245	C	C	.	.	S	Bend	trans	-94	129.1	-178.6	-55.1	-72	0	0	0	110.6	R268 T270 T413 N429 D432 N433 V436	R268-F410 HydrophobicContact CB-CE1 3.9Å; R268-F410 HydrophobicContact CB-CZ 3.88Å; R268-F410 HydrophobicContact CG-CE1 4.31Å; T270-F410 HydrophobicContact CG2-CE2 4.09Å; T270-F410 HydrophobicContact CG2-CZ 4.45Å; F410-T413 WeakPolarHBondContact O-CG2 3.09Å; F410-N429 HydrophobicContact CB-CB 3.88Å; F410-D432 HydrophobicContact CD2-CB 3.53Å; F410-D432 HydrophobicContact CE2-CB 3.81Å; F410-D432 HydrophobicContact CG-CB 4.33Å; F410-N433 WeakPolarHBondContact CD2-OD1 3.27Å; F410-N433 PolarHBondContact N-OD1 2.94Å; F410-N433 PolarHBondContact O-ND2 3.19Å; F410-V436 HydrophobicContact CD2-CG2 4.45Å; F410-V436 HydrophobicContact CE2-CG2 3.75Å
411	T	96.4	Very high	93.5	Very high	92 Å²	92	49.3 Å²	49.3	56%	0.564	26%	0.261	S	S	*	.	S	Bend	trans	-141.1	154.9	-177.9	59.6	0	0	0	0	110.1	R408 N429	R408-T411 HydrophobicContact CG-CG2 4.27Å; T411-N429 VanDerWaalsContact C-ND2 3.26Å; T411-N429 PolarHBondContact O-ND2 3.07Å
412	P	97.3	Very high	93.5	Very high	70 Å²	70	48.1 Å²	48.1	46%	0.455	26%	0.256	S	S	.	.	S	Bend	cis	-70.5	151.9	-0.7	30	-35.6	0	0	0	113	Q426 N429	P412-Q426 HydrophobicContact CB-CG 4.09Å; P412-Q426 HydrophobicContact CG-CG 3.8Å; P412-Q426 WeakPolarHBondContact O-CA 3.34Å; P412-N429 VanDerWaalsContact O-CB 3.31Å; P412-N429 WeakPolarHBondContact O-CB 3.39Å; P412-N429 PolarHBondContact O-ND2 2.05Å
413	T	96.4	Very high	93.5	Very high	21 Å²	21	51.4 Å²	51.4	13%	0.129	28%	0.277	C	S	.	.			trans	-100.3	154.5	178.4	54.1	0	0	0	0	112.1	R408 F410 D415 T430	R408-T413 HydrophobicContact CG-CG2 3.92Å; F410-T413 WeakPolarHBondContact O-CG2 3.09Å; T413-D415 WeakPolarHBondContact CB-OD1 3.46Å; T413-D415 PolarHBondContact OG1-OD1 3.39Å; T413-T430 WeakPolarHBondContact CA-OG1 3.44Å; T413-T430 WeakPolarHBondContact CB-OG1 3.31Å
414	C	95.7	Very high	93.4	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.02	30%	0.303	C	S	.	.			trans	-87	94.8	163.4	-175.9	0	0	0	0	110.1	T416 C422 Q426 T430	C414-T416 PolarHBondContact O-N 2.85Å; C414-C422 HydrophobicContact CB-CB 3.66Å; C414-C422 WeakPolarHBondContact CB-SG 3.46Å; C414-C422 WeakPolarHBondContact SG-CB 3.21Å; C414-C422 CovalentContact SG-SG 2.03Å; C414-C422 PolarHBondContact SG-SG 3.49Å; C414-Q426 HydrophobicContact CB-CB 4.11Å; C414-Q426 PolarHBondContact N-O 3.45Å; C414-T430 WeakPolarHBondContact CA-OG1 3.24Å; C414-T430 PolarHBondContact N-OG1 2.95Å; C414-T430 PolarHBondContact O-OG1 3.24Å
415	D	93.7	Very high	93.5	Very high	76 Å²	76	62.6 Å²	62.6	41%	0.406	33%	0.326	S	S	.	.			trans	-98.4	50.9	-179.3	-67.9	6.7	0	0	0	110.7	Y400 R408 T413	Y400-D415 HydrophobicContact CD2-CB 4.48Å; Y400-D415 HydrophobicContact CG-CB 4.31Å; R408-D415 IonicContact CZ-OD1 3.99Å; R408-D415 IonicContact CZ-OD2 3.3Å; R408-D415 VanDerWaalsContact CZ-OD2 3.3Å; R408-D415 IonicContact NH1-OD1 3.93Å; R408-D415 IonicContact NH1-OD2 2.8Å; R408-D415 PolarHBondContact NH1-OD2 3.01Å; R408-D415 IonicContact NH2-OD1 3.68Å; R408-D415 IonicContact NH2-OD2 3Å; R408-D415 PolarHBondContact NH2-OD2 3.17Å; T413-D415 WeakPolarHBondContact CB-OD1 3.46Å; T413-D415 PolarHBondContact OG1-OD1 3.39Å
416	T	91.3	Very high	93.7	Very high	39 Å²	39	60.6 Å²	60.6	24%	0.239	31%	0.308	C	S	.	.	S	Bend	trans	-147.9	150.4	178.2	179.4	0	0	0	0	110.4	C414 E418 I419 C422	C414-T416 PolarHBondContact O-N 2.85Å; T416-E418 VanDerWaalsContact C-N 3.3Å; T416-E418 PolarHBondContact OG1-N 2.92Å; T416-E418 VanDerWaalsContact OG1-N 3.12Å; T416-I419 WeakPolarHBondContact O-CG2 3.41Å; T416-C422 VanDerWaalsContact CG2-SG 3.54Å
417	N	88.4	Confident	93.7	Very high	25 Å²	25	54 Å²	54	13%	0.134	28%	0.278	C	S	.	.	S	Bend	trans	-79.8	-11.4	170.5	59.9	-11.2	0	0	0	113.1	A128 M130 P397 T398 I419	A128-N417 WeakPolarHBondContact O-CB 3.15Å; A128-N417 PolarHBondContact O-ND2 3.22Å; M130-N417 PolarHBondContact O-ND2 3.38Å; P397-N417 HydrophobicContact CB-CB 4.46Å; P397-N417 HydrophobicContact CG-CB 4.02Å; T398-N417 HydrophobicContact CG2-CB 3.86Å; N417-I419 PolarHBondContact O-N 3.43Å
418	E	87.3	Confident	93.8	Very high	39 Å²	39	54 Å²	54	18%	0.182	28%	0.279	C	S	.	.			trans	-81.3	55.8	168.5	-67.5	-179.1	173.3	0	0	111	T131 Q133 T416 Q420 T421	T131-E418 WeakPolarHBondContact CB-OE1 3.33Å; T131-E418 HydrophobicContact CG2-CG 3.59Å; Q133-E418 WeakPolarHBondContact CB-OE1 3.21Å; Q133-E418 PolarHBondContact N-OE1 3.29Å; T416-E418 VanDerWaalsContact C-N 3.3Å; T416-E418 PolarHBondContact OG1-N 2.92Å; T416-E418 VanDerWaalsContact OG1-N 3.12Å; E418-Q420 PolarHBondContact O-N 3.27Å; E418-Q420 PolarHBondContact O-OE1 2.92Å; E418-T421 HydrophobicContact CB-CG2 4.07Å; E418-T421 WeakPolarHBondContact O-CB 3.27Å; E418-T421 PolarHBondContact O-N 3.31Å; E418-T421 PolarHBondContact O-OG1 2.87Å
419	I	89.7	Confident	93.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-56.7	-25.9	-171.1	59.6	175	0	0	0	114.5	P397 Y399 T416 N417 T421 C422 L427 Y476 L477	P397-I419 HydrophobicContact CB-CD1 4.13Å; P397-I419 HydrophobicContact CB-CG1 4.46Å; P397-I419 HydrophobicContact CB-CG2 4.07Å; P397-I419 VanDerWaalsContact O-CG2 3.29Å; P397-I419 WeakPolarHBondContact O-CG2 3.37Å; Y399-I419 HydrophobicContact CD2-CG2 4.27Å; Y399-I419 HydrophobicContact CE2-CD1 4.02Å; Y399-I419 HydrophobicContact CE2-CG2 4.06Å; T416-I419 WeakPolarHBondContact O-CG2 3.41Å; N417-I419 PolarHBondContact O-N 3.43Å; I419-T421 PolarHBondContact O-N 2.79Å; I419-C422 WeakPolarHBondContact O-CB 3.25Å; I419-C422 PolarHBondContact O-N 3.28Å; I419-L427 HydrophobicContact CB-CD1 4Å; I419-L427 HydrophobicContact CB-CD2 4.34Å; I419-L427 HydrophobicContact CG2-CD1 4.07Å; I419-Y476 HydrophobicContact CD1-CD1 3.88Å; I419-Y476 HydrophobicContact CD1-CG 4.41Å; I419-Y476 HydrophobicContact CG1-CD1 4.08Å; I419-L477 HydrophobicContact CD1-CD2 3.97Å; I419-L477 HydrophobicContact CD1-CG 4.47Å
420	Q	85.5	Confident	94	Very high	45 Å²	45	45.1 Å²	45.1	21%	0.21	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-66.4	-18.9	175.7	74.7	-74.4	1.2	0	0	113.7	T105 E418 Y476	T105-Q420 HydrophobicContact CG2-CG 4.4Å; E418-Q420 PolarHBondContact O-N 3.27Å; E418-Q420 PolarHBondContact O-OE1 2.92Å; Q420-Y476 HydrophobicContact CB-CE2 4.24Å
421	T	88.5	Confident	94	Very high	87 Å²	87	43.6 Å²	43.6	53%	0.534	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-85.4	-16.9	177.6	67	0	0	0	0	112.6	E418 I419	E418-T421 HydrophobicContact CB-CG2 4.07Å; E418-T421 WeakPolarHBondContact O-CB 3.27Å; E418-T421 PolarHBondContact O-N 3.31Å; E418-T421 PolarHBondContact O-OG1 2.87Å; I419-T421 PolarHBondContact O-N 2.79Å
422	C	93	Very high	94.1	Very high	22 Å²	22	39.2 Å²	39.2	15%	0.149	21%	0.209	C	C	.	.	S	Bend	trans	-77.2	153.4	177.6	-66	0	0	0	0	111.3	C414 T416 I419 Q426	C414-C422 HydrophobicContact CB-CB 3.66Å; C414-C422 WeakPolarHBondContact CB-SG 3.46Å; C414-C422 WeakPolarHBondContact SG-CB 3.21Å; C414-C422 CovalentContact SG-SG 2.03Å; C414-C422 PolarHBondContact SG-SG 3.49Å; T416-C422 VanDerWaalsContact CG2-SG 3.54Å; I419-C422 WeakPolarHBondContact O-CB 3.25Å; I419-C422 PolarHBondContact O-N 3.28Å; C422-Q426 HydrophobicContact CB-CB 4.29Å
423	T	94.7	Very high	94.1	Very high	75 Å²	75	35.9 Å²	35.9	46%	0.46	19%	0.188	S	C	.	.			trans	-65.9	151.4	166.6	62.6	0	0	0	0	110	E425 Q426 L427	T423-E425 PolarHBondContact O-N 2.91Å; T423-Q426 PolarHBondContact O-N 2.66Å; T423-Q426 VanDerWaalsContact O-N 3.09Å; T423-Q426 WeakPolarHBondContact OG1-CB 3.21Å; T423-Q426 VanDerWaalsContact OG1-CG 3.23Å; T423-Q426 WeakPolarHBondContact OG1-CG 3.4Å; T423-Q426 PolarHBondContact OG1-N 3.07Å; T423-Q426 PolarHBondContact OG1-OE1 3.49Å; T423-L427 PolarHBondContact O-N 2.83Å; T423-L427 VanDerWaalsContact O-N 3.08Å
424	K	94.4	Very high	94.2	Very high	131 Å²	131	34.9 Å²	34.9	57%	0.57	18%	0.182	S	C	*	.	H	α-helix	trans	-53.5	-40	175.8	-174.1	174.8	-177.9	177.2	0	111.5	L427 V428	K424-L427 PolarHBondContact O-N 2.88Å; K424-V428 HydrophobicContact CG-CG2 4.18Å; K424-V428 WeakPolarHBondContact O-CB 3.34Å; K424-V428 WeakPolarHBondContact O-CG2 3.42Å; K424-V428 PolarHBondContact O-N 3.13Å
425	E	95.6	Very high	94.3	Very high	115 Å²	115	34.8 Å²	34.8	54%	0.537	18%	0.181	S	C	.	.	H	α-helix	trans	-61.9	-47.3	177.3	-174.9	-179.6	175.7	0	0	112.4	T423 L427 V428 N429	T423-E425 PolarHBondContact O-N 2.91Å; E425-L427 VanDerWaalsContact C-N 3.32Å; E425-L427 PolarHBondContact O-N 3.11Å; E425-V428 PolarHBondContact O-N 3.01Å; E425-N429 VanDerWaalsContact O-CB 3.31Å; E425-N429 WeakPolarHBondContact O-CB 3.44Å; E425-N429 PolarHBondContact O-N 3.37Å; E425-N429 PolarHBondContact O-ND2 3.37Å; E425-N429 PolarHBondContact O-OD1 3.08Å
426	Q	97.6	Very high	94.5	Very high	54 Å²	54	31.6 Å²	31.6	25%	0.252	16%	0.164	S	C	.	.	H	α-helix	trans	-60.6	-41.8	177.9	-76.9	168.6	-58.8	0	0	112.6	P412 C414 C422 T423 N429 T430	P412-Q426 HydrophobicContact CB-CG 4.09Å; P412-Q426 HydrophobicContact CG-CG 3.8Å; P412-Q426 WeakPolarHBondContact O-CA 3.34Å; C414-Q426 HydrophobicContact CB-CB 4.11Å; C414-Q426 PolarHBondContact N-O 3.45Å; C422-Q426 HydrophobicContact CB-CB 4.29Å; T423-Q426 PolarHBondContact O-N 2.66Å; T423-Q426 VanDerWaalsContact O-N 3.09Å; T423-Q426 WeakPolarHBondContact OG1-CB 3.21Å; T423-Q426 VanDerWaalsContact OG1-CG 3.23Å; T423-Q426 WeakPolarHBondContact OG1-CG 3.4Å; T423-Q426 PolarHBondContact OG1-N 3.07Å; T423-Q426 PolarHBondContact OG1-OE1 3.49Å; Q426-N429 PolarHBondContact O-N 2.84Å; Q426-T430 PolarHBondContact O-N 3.3Å; Q426-T430 PolarHBondContact O-OG1 2.93Å; Q426-T430 VanDerWaalsContact O-OG1 3.09Å
427	L	96.7	Very high	94.9	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-68	-46.8	179.8	-178.5	56.2	0	0	0	111.5	Y399 I419 T423 K424 E425 N429 T430 Y431 L470 Y476	Y399-L427 HydrophobicContact CD2-CD1 3.74Å; Y399-L427 HydrophobicContact CE2-CD1 3.6Å; I419-L427 HydrophobicContact CB-CD1 4Å; I419-L427 HydrophobicContact CB-CD2 4.34Å; I419-L427 HydrophobicContact CG2-CD1 4.07Å; T423-L427 PolarHBondContact O-N 2.83Å; T423-L427 VanDerWaalsContact O-N 3.08Å; K424-L427 PolarHBondContact O-N 2.88Å; E425-L427 VanDerWaalsContact C-N 3.32Å; E425-L427 PolarHBondContact O-N 3.11Å; L427-N429 VanDerWaalsContact C-N 3.31Å; L427-N429 PolarHBondContact O-N 3.22Å; L427-T430 PolarHBondContact O-N 3.2Å; L427-Y431 WeakPolarHBondContact O-CB 3.47Å; L427-Y431 PolarHBondContact O-N 3.06Å; L427-L470 HydrophobicContact CD2-CB 4.11Å; L427-L470 WeakPolarHBondContact CD2-O 3.11Å; L427-L470 HydrophobicContact CG-CB 4.3Å; L427-L470 HydrophobicContact CG-CD2 4.28Å; L427-Y476 HydrophobicContact CD2-CD1 4.14Å; L427-Y476 HydrophobicContact CD2-CE1 3.92Å
428	V	97.4	Very high	95.4	Very high	14 Å²	14	28.8 Å²	28.8	9%	0.085	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-38	176	177.2	0	0	0	0	110.9	Y266 K424 E425 Y431 D432 L470	Y266-V428 WeakPolarHBondContact OH-CG1 3.4Å; K424-V428 HydrophobicContact CG-CG2 4.18Å; K424-V428 WeakPolarHBondContact O-CB 3.34Å; K424-V428 WeakPolarHBondContact O-CG2 3.42Å; K424-V428 PolarHBondContact O-N 3.13Å; E425-V428 PolarHBondContact O-N 3.01Å; V428-Y431 PolarHBondContact O-N 3.14Å; V428-D432 VanDerWaalsContact O-CB 3.25Å; V428-D432 WeakPolarHBondContact O-CB 3.38Å; V428-D432 PolarHBondContact O-N 3.24Å; V428-L470 HydrophobicContact CG2-CD1 4.09Å
429	N	98.1	Very high	95.9	Very high	3 Å²	3	27 Å²	27	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-45.9	174.1	-71.1	-11.4	0	0	0	112.2	R268 F410 T411 P412 E425 Q426 L427 N433	R268-N429 PolarHBondContact NH1-OD1 3.49Å; R268-N429 PolarHBondContact NH2-OD1 2.8Å; F410-N429 HydrophobicContact CB-CB 3.88Å; T411-N429 VanDerWaalsContact C-ND2 3.26Å; T411-N429 PolarHBondContact O-ND2 3.07Å; P412-N429 VanDerWaalsContact O-CB 3.31Å; P412-N429 WeakPolarHBondContact O-CB 3.39Å; P412-N429 PolarHBondContact O-ND2 2.05Å; E425-N429 VanDerWaalsContact O-CB 3.31Å; E425-N429 WeakPolarHBondContact O-CB 3.44Å; E425-N429 PolarHBondContact O-N 3.37Å; E425-N429 PolarHBondContact O-ND2 3.37Å; E425-N429 PolarHBondContact O-OD1 3.08Å; Q426-N429 PolarHBondContact O-N 2.84Å; L427-N429 VanDerWaalsContact C-N 3.31Å; L427-N429 PolarHBondContact O-N 3.22Å; N429-N433 VanDerWaalsContact O-CG 3.23Å; N429-N433 PolarHBondContact O-N 3.29Å; N429-N433 VanDerWaalsContact O-N 3.14Å; N429-N433 PolarHBondContact O-ND2 3.47Å; N429-N433 VanDerWaalsContact O-ND2 3.09Å
430	T	98.1	Very high	96.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-47	176	-57.5	0	0	0	0	110.9	Y403 T413 C414 Q426 L427 N433 T434	Y403-T430 HydrophobicContact CE1-CG2 4.03Å; Y403-T430 VanDerWaalsContact CE1-O 3.27Å; Y403-T430 WeakPolarHBondContact CE1-O 3.48Å; Y403-T430 WeakPolarHBondContact OH-CG2 3.48Å; T413-T430 WeakPolarHBondContact CA-OG1 3.44Å; T413-T430 WeakPolarHBondContact CB-OG1 3.31Å; C414-T430 WeakPolarHBondContact CA-OG1 3.24Å; C414-T430 PolarHBondContact N-OG1 2.95Å; C414-T430 PolarHBondContact O-OG1 3.24Å; Q426-T430 PolarHBondContact O-N 3.3Å; Q426-T430 PolarHBondContact O-OG1 2.93Å; Q426-T430 VanDerWaalsContact O-OG1 3.09Å; L427-T430 PolarHBondContact O-N 3.2Å; T430-N433 WeakPolarHBondContact O-CB 3.45Å; T430-N433 PolarHBondContact O-N 2.88Å; T430-T434 PolarHBondContact O-N 3.02Å
431	Y	98.1	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-46	178.1	-177.6	-94.9	0	0	0	111.9	T255 S256 R257 N260 Y399 L427 V428 N433 T434 L435 E468 L470	T255-Y431 PolarHBondContact O-OH 3.36Å; S256-Y431 WeakPolarHBondContact CA-OH 3.43Å; R257-Y431 HydrophobicContact CG-CE1 4Å; R257-Y431 WeakPolarHBondContact CG-OH 3.36Å; R257-Y431 PolarHBondContact N-OH 2.79Å; N260-Y431 HydrophobicContact CB-CE1 4.15Å; Y399-Y431 HydrophobicContact CD1-CD2 4.02Å; Y399-Y431 AromaticContact CE1-CD2 3.94Å; Y399-Y431 HydrophobicContact CE1-CD2 3.94Å; Y399-Y431 HydrophobicContact CE1-CE2 4.45Å; L427-Y431 WeakPolarHBondContact O-CB 3.47Å; L427-Y431 PolarHBondContact O-N 3.06Å; V428-Y431 PolarHBondContact O-N 3.14Å; Y431-N433 PolarHBondContact O-N 2.94Å; Y431-T434 WeakPolarHBondContact O-CA 3.18Å; Y431-T434 VanDerWaalsContact O-CB 3.3Å; Y431-T434 WeakPolarHBondContact O-CB 3.27Å; Y431-T434 PolarHBondContact O-N 3.21Å; Y431-T434 PolarHBondContact O-OG1 3.41Å; Y431-L435 HydrophobicContact CD1-CD1 4.31Å; Y431-L435 HydrophobicContact CD1-CG 4.46Å; Y431-L435 HydrophobicContact CE1-CD1 3.82Å; Y431-L435 HydrophobicContact CE1-CD2 4.38Å; Y431-L435 HydrophobicContact CE1-CG 4.1Å; Y431-L435 PolarHBondContact O-N 3.42Å; Y431-E468 HydrophobicContact CE2-CB 3.9Å; Y431-E468 HydrophobicContact CE2-CG 4.1Å; Y431-L470 HydrophobicContact CD1-CD1 3.68Å; Y431-L470 HydrophobicContact CD2-CD1 4.21Å; Y431-L470 HydrophobicContact CD2-CD2 3.79Å; Y431-L470 HydrophobicContact CE1-CD1 4.33Å; Y431-L470 HydrophobicContact CE2-CD2 4.41Å; Y431-L470 HydrophobicContact CG-CD1 3.6Å; Y431-L470 HydrophobicContact CG-CD2 3.96Å; Y431-L470 HydrophobicContact CG-CG 4.37Å
432	D	98.2	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-32.1	177.7	-73.6	-14.8	0	0	0	112.2	N260 Y266 R268 T270 F410 V428 T434 L435 V436	N260-D432 PolarHBondContact ND2-OD1 3.18Å; Y266-D432 PolarHBondContact OH-OD1 3.1Å; Y266-D432 PolarHBondContact OH-OD2 3.31Å; R268-D432 WeakPolarHBondContact CD-OD2 3.48Å; R268-D432 IonicContact CZ-OD2 3.98Å; R268-D432 IonicContact NE-OD2 2.73Å; R268-D432 IonicContact NH1-OD2 3.7Å; R268-D432 PolarHBondContact NH1-OD2 3.16Å; T270-D432 HydrophobicContact CG2-CB 3.91Å; F410-D432 HydrophobicContact CD2-CB 3.53Å; F410-D432 HydrophobicContact CE2-CB 3.81Å; F410-D432 HydrophobicContact CG-CB 4.33Å; V428-D432 VanDerWaalsContact O-CB 3.25Å; V428-D432 WeakPolarHBondContact O-CB 3.38Å; V428-D432 PolarHBondContact O-N 3.24Å; D432-T434 VanDerWaalsContact C-N 3.32Å; D432-L435 PolarHBondContact O-N 3.38Å; D432-V436 WeakPolarHBondContact O-CG2 3.43Å; D432-V436 PolarHBondContact O-N 3.38Å
433	N	98.5	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.2	-31.4	173.4	-69.6	-34.1	0	0	0	112.7	Y403 F407 K409 F410 N429 T430 Y431 L435 V436 Y437	Y403-N433 HydrophobicContact CD1-CB 3.83Å; Y403-N433 HydrophobicContact CD2-CB 4.08Å; Y403-N433 HydrophobicContact CE1-CB 3.47Å; Y403-N433 VanDerWaalsContact CE1-CB 3.47Å; Y403-N433 HydrophobicContact CE2-CB 3.75Å; Y403-N433 HydrophobicContact CG-CB 4.12Å; Y403-N433 VanDerWaalsContact CZ-CB 3.42Å; Y403-N433 PolarHBondContact OH-ND2 3.01Å; F407-N433 PolarHBondContact O-OD1 3.47Å; K409-N433 PolarHBondContact N-OD1 2.98Å; F410-N433 WeakPolarHBondContact CD2-OD1 3.27Å; F410-N433 PolarHBondContact N-OD1 2.94Å; F410-N433 PolarHBondContact O-ND2 3.19Å; N429-N433 VanDerWaalsContact O-CG 3.23Å; N429-N433 PolarHBondContact O-N 3.29Å; N429-N433 VanDerWaalsContact O-N 3.14Å; N429-N433 PolarHBondContact O-ND2 3.47Å; N429-N433 VanDerWaalsContact O-ND2 3.09Å; T430-N433 WeakPolarHBondContact O-CB 3.45Å; T430-N433 PolarHBondContact O-N 2.88Å; Y431-N433 PolarHBondContact O-N 2.94Å; N433-L435 VanDerWaalsContact C-N 3.3Å; N433-V436 PolarHBondContact O-N 3.1Å; N433-Y437 PolarHBondContact O-N 2.72Å; N433-Y437 VanDerWaalsContact O-N 3.16Å
434	T	98.1	Very high	97.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-41	171	76.6	0	0	0	0	110.3	S394 R402 Y403 T430 Y431 D432 V436 Y437 V438	S394-T434 VanDerWaalsContact CB-OG1 3.3Å; S394-T434 WeakPolarHBondContact CB-OG1 3.43Å; S394-T434 PolarHBondContact OG-OG1 2.68Å; R402-T434 HydrophobicContact CB-CG2 3.95Å; R402-T434 HydrophobicContact CG-CG2 4.38Å; Y403-T434 HydrophobicContact CD1-CG2 3.79Å; Y403-T434 HydrophobicContact CE1-CG2 4Å; T430-T434 PolarHBondContact O-N 3.02Å; Y431-T434 WeakPolarHBondContact O-CA 3.18Å; Y431-T434 VanDerWaalsContact O-CB 3.3Å; Y431-T434 WeakPolarHBondContact O-CB 3.27Å; Y431-T434 PolarHBondContact O-N 3.21Å; Y431-T434 PolarHBondContact O-OG1 3.41Å; D432-T434 VanDerWaalsContact C-N 3.32Å; T434-V436 PolarHBondContact O-N 3.02Å; T434-Y437 CarbonylContact O-C 3.6Å; T434-Y437 WeakPolarHBondContact O-CA 3.5Å; T434-Y437 WeakPolarHBondContact O-CB 3.35Å; T434-Y437 PolarHBondContact O-N 3.07Å; T434-V438 WeakPolarHBondContact O-CG2 3.42Å; T434-V438 PolarHBondContact O-N 3.46Å
435	L	98.1	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-69.5	-33.3	178.8	-60.3	-173.3	0	0	0	112.9	N260 F261 T270 S394 Y431 D432 N433 Y437 V438 D439	N260-L435 HydrophobicContact CB-CD1 3.42Å; N260-L435 VanDerWaalsContact CB-CD1 3.42Å; N260-L435 WeakPolarHBondContact O-CD1 3.47Å; F261-L435 HydrophobicContact CD2-CD1 4.09Å; F261-L435 HydrophobicContact CE2-CD1 4.05Å; F261-L435 HydrophobicContact CE2-CD2 3.76Å; F261-L435 HydrophobicContact CE2-CG 4.43Å; F261-L435 HydrophobicContact CZ-CD2 4.42Å; T270-L435 HydrophobicContact CG2-CB 4.42Å; S394-L435 WeakPolarHBondContact OG-CD2 3.38Å; Y431-L435 HydrophobicContact CD1-CD1 4.31Å; Y431-L435 HydrophobicContact CD1-CG 4.46Å; Y431-L435 HydrophobicContact CE1-CD1 3.82Å; Y431-L435 HydrophobicContact CE1-CD2 4.38Å; Y431-L435 HydrophobicContact CE1-CG 4.1Å; Y431-L435 PolarHBondContact O-N 3.42Å; D432-L435 PolarHBondContact O-N 3.38Å; N433-L435 VanDerWaalsContact C-N 3.3Å; L435-Y437 PolarHBondContact O-N 2.68Å; L435-V438 PolarHBondContact O-N 2.73Å; L435-D439 WeakPolarHBondContact O-CB 3.49Å; L435-D439 PolarHBondContact O-N 3.48Å
436	V	98.4	Very high	98.1	Very high	9 Å²	9	10.5 Å²	10.5	6%	0.055	5%	0.049	C	C	.	.	H	α-helix	trans	-63.4	-30.7	170.1	175.3	0	0	0	0	111.3	T270 F407 K409 F410 D432 N433 T434 Y440	T270-V436 WeakPolarHBondContact O-CA 3.37Å; F407-V436 HydrophobicContact CD1-CG1 4.25Å; K409-V436 HydrophobicContact CD-CG2 4.38Å; F410-V436 HydrophobicContact CD2-CG2 4.45Å; F410-V436 HydrophobicContact CE2-CG2 3.75Å; D432-V436 WeakPolarHBondContact O-CG2 3.43Å; D432-V436 PolarHBondContact O-N 3.38Å; N433-V436 PolarHBondContact O-N 3.1Å; T434-V436 PolarHBondContact O-N 3.02Å; V436-Y440 PolarHBondContact O-N 3.08Å
437	Y	98.4	Very high	98.2	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-77.8	-41.3	173.4	-170.3	-125.6	0	0	0	112.1	Y366 D367 E368 R402 P404 F407 N433 T434 L435 D439 Y440 I441	Y366-Y437 WeakPolarHBondContact CB-OH 3.4Å; D367-Y437 HydrophobicContact CB-CE1 4.17Å; E368-Y437 VanDerWaalsContact CB-OH 3.28Å; E368-Y437 WeakPolarHBondContact CB-OH 3.43Å; E368-Y437 PolarHBondContact N-OH 2.73Å; R402-Y437 WeakPolarHBondContact O-CD1 3.4Å; P404-Y437 HydrophobicContact CG-CE2 4.01Å; F407-Y437 AromaticContact CD1-CD2 3.96Å; F407-Y437 HydrophobicContact CD1-CD2 3.96Å; F407-Y437 AromaticContact CD2-CD2 3.45Å; F407-Y437 HydrophobicContact CD2-CD2 3.45Å; F407-Y437 VanDerWaalsContact CD2-CD2 3.45Å; F407-Y437 AromaticContact CD2-CE2 3.88Å; F407-Y437 HydrophobicContact CD2-CE2 3.88Å; F407-Y437 HydrophobicContact CD2-CG 4.4Å; F407-Y437 AromaticContact CE1-CD2 3.96Å; F407-Y437 HydrophobicContact CE1-CD2 3.96Å; F407-Y437 AromaticContact CE2-CD2 3.44Å; F407-Y437 HydrophobicContact CE2-CD2 3.44Å; F407-Y437 VanDerWaalsContact CE2-CD2 3.44Å; F407-Y437 AromaticContact CE2-CE2 3.5Å; F407-Y437 HydrophobicContact CE2-CE2 3.5Å; F407-Y437 AromaticContact CG-CD2 3.73Å; F407-Y437 HydrophobicContact CG-CD2 3.73Å; F407-Y437 HydrophobicContact CG-CG 4.42Å; F407-Y437 AromaticContact CZ-CD2 3.71Å; F407-Y437 HydrophobicContact CZ-CD2 3.71Å; F407-Y437 AromaticContact CZ-CE2 3.91Å; F407-Y437 HydrophobicContact CZ-CE2 3.91Å; N433-Y437 PolarHBondContact O-N 2.72Å; N433-Y437 VanDerWaalsContact O-N 3.16Å; T434-Y437 CarbonylContact O-C 3.6Å; T434-Y437 WeakPolarHBondContact O-CA 3.5Å; T434-Y437 WeakPolarHBondContact O-CB 3.35Å; T434-Y437 PolarHBondContact O-N 3.07Å; L435-Y437 PolarHBondContact O-N 2.68Å; Y437-D439 VanDerWaalsContact C-N 3.29Å; Y437-D439 PolarHBondContact O-N 3.49Å; Y437-Y440 AromaticContact CD2-CD1 3.91Å; Y437-Y440 HydrophobicContact CD2-CD1 3.91Å; Y437-Y440 AromaticContact CE2-CD1 3.63Å; Y437-Y440 HydrophobicContact CE2-CD1 3.63Å; Y437-Y440 HydrophobicContact CE2-CE1 4.05Å; Y437-Y440 WeakPolarHBondContact O-CA 3.46Å; Y437-Y440 WeakPolarHBondContact O-CB 3.42Å; Y437-Y440 PolarHBondContact O-N 3.39Å; Y437-I441 HydrophobicContact CD1-CG1 4.43Å; Y437-I441 HydrophobicContact CE1-CD1 4.23Å; Y437-I441 HydrophobicContact CE1-CG1 4.2Å; Y437-I441 HydrophobicContact CE2-CD1 4.2Å; Y437-I441 HydrophobicContact CE2-CG1 4.45Å; Y437-I441 WeakPolarHBondContact O-CG1 3.34Å; Y437-I441 PolarHBondContact O-N 2.56Å
438	V	98.2	Very high	98.2	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.03	5%	0.054	C	C	.	.	H	α-helix	trans	-56.3	-43.8	171	171.8	0	0	0	0	111	T434 L435 Y440 I441 V442 Y462	T434-V438 WeakPolarHBondContact O-CG2 3.42Å; T434-V438 PolarHBondContact O-N 3.46Å; L435-V438 PolarHBondContact O-N 2.73Å; V438-Y440 VanDerWaalsContact C-N 3.28Å; V438-Y440 PolarHBondContact O-N 3.42Å; V438-I441 PolarHBondContact O-N 2.97Å; V438-I441 VanDerWaalsContact O-N 3.12Å; V438-V442 HydrophobicContact CG1-CG2 4.28Å; V438-V442 WeakPolarHBondContact O-CG2 3.39Å; V438-V442 PolarHBondContact O-N 3.04Å; V438-Y462 HydrophobicContact CG1-CE2 3.69Å; V438-Y462 WeakPolarHBondContact CG1-OH 3.33Å
439	D	98.2	Very high	98.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-53.1	-44.3	172.6	174.2	72.4	0	0	0	112	N271 P272 R273 L274 L435 Y437 D443	N271-D439 VanDerWaalsContact CA-CG 3.46Å; N271-D439 WeakPolarHBondContact CA-OD1 3.29Å; N271-D439 HydrophobicContact CB-CB 4.41Å; N271-D439 WeakPolarHBondContact CB-OD1 3.46Å; P272-D439 VanDerWaalsContact CD-OD2 3.28Å; P272-D439 WeakPolarHBondContact CD-OD2 3.35Å; R273-D439 VanDerWaalsContact CB-OD2 3.24Å; R273-D439 WeakPolarHBondContact CB-OD2 3.43Å; R273-D439 VanDerWaalsContact CD-OD2 3.28Å; R273-D439 WeakPolarHBondContact CD-OD2 3.43Å; R273-D439 WeakPolarHBondContact CG-OD2 3.1Å; R273-D439 PolarHBondContact N-OD1 3.33Å; R273-D439 PolarHBondContact N-OD2 3.26Å; R273-D439 IonicContact NE-OD2 3.33Å; L274-D439 WeakPolarHBondContact CB-OD1 3.3Å; L274-D439 WeakPolarHBondContact CG-OD1 3.46Å; L274-D439 PolarHBondContact N-OD1 3.41Å; L435-D439 WeakPolarHBondContact O-CB 3.49Å; L435-D439 PolarHBondContact O-N 3.48Å; Y437-D439 VanDerWaalsContact C-N 3.29Å; Y437-D439 PolarHBondContact O-N 3.49Å; D439-D443 VanDerWaalsContact O-CB 3.23Å; D439-D443 WeakPolarHBondContact O-CB 3.31Å; D439-D443 PolarHBondContact O-N 3.4Å
440	Y	98.5	Very high	98.2	Very high	47 Å²	47	13.8 Å²	13.8	18%	0.184	7%	0.065	C	C	.	.	H	α-helix	trans	-66.8	-41	175.6	167.5	-104.6	0	0	0	113.4	E368 F407 V436 Y437 V438 K444	E368-Y440 PolarHBondContact OE1-OH 2.87Å; F407-Y440 AromaticContact CE1-CD1 3.99Å; F407-Y440 HydrophobicContact CE1-CD1 3.99Å; F407-Y440 HydrophobicContact CE1-CD2 4.2Å; F407-Y440 AromaticContact CE1-CG 3.63Å; F407-Y440 HydrophobicContact CE1-CG 3.63Å; F407-Y440 HydrophobicContact CE2-CD1 4.29Å; F407-Y440 AromaticContact CZ-CD1 3.47Å; F407-Y440 HydrophobicContact CZ-CD1 3.47Å; F407-Y440 VanDerWaalsContact CZ-CD1 3.47Å; F407-Y440 HydrophobicContact CZ-CD2 4.04Å; F407-Y440 AromaticContact CZ-CE1 3.9Å; F407-Y440 HydrophobicContact CZ-CE1 3.9Å; F407-Y440 HydrophobicContact CZ-CE2 4.41Å; F407-Y440 AromaticContact CZ-CG 3.53Å; F407-Y440 HydrophobicContact CZ-CG 3.53Å; V436-Y440 PolarHBondContact O-N 3.08Å; Y437-Y440 AromaticContact CD2-CD1 3.91Å; Y437-Y440 HydrophobicContact CD2-CD1 3.91Å; Y437-Y440 AromaticContact CE2-CD1 3.63Å; Y437-Y440 HydrophobicContact CE2-CD1 3.63Å; Y437-Y440 HydrophobicContact CE2-CE1 4.05Å; Y437-Y440 WeakPolarHBondContact O-CA 3.46Å; Y437-Y440 WeakPolarHBondContact O-CB 3.42Å; Y437-Y440 PolarHBondContact O-N 3.39Å; V438-Y440 VanDerWaalsContact C-N 3.28Å; V438-Y440 PolarHBondContact O-N 3.42Å; Y440-K444 HydrophobicContact CE1-CD 4.39Å; Y440-K444 VanDerWaalsContact O-CB 3.25Å; Y440-K444 WeakPolarHBondContact O-CB 3.37Å; Y440-K444 PolarHBondContact O-N 3.02Å
441	I	98.4	Very high	98.1	Very high	2 Å²	2	20 Å²	20	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-44.4	179.9	-66.2	-62.2	0	0	0	111	D367 E368 F371 T391 Y437 V438 K444 A445	D367-I441 HydrophobicContact CB-CD1 3.83Å; D367-I441 HydrophobicContact CB-CG1 3.83Å; D367-I441 HydrophobicContact CB-CG2 4.42Å; E368-I441 HydrophobicContact CB-CD1 4.31Å; F371-I441 HydrophobicContact CE2-CD1 4.17Å; F371-I441 HydrophobicContact CE2-CG2 4.1Å; F371-I441 HydrophobicContact CZ-CG2 4.36Å; T391-I441 HydrophobicContact CG2-CG2 4.49Å; Y437-I441 HydrophobicContact CD1-CG1 4.43Å; Y437-I441 HydrophobicContact CE1-CD1 4.23Å; Y437-I441 HydrophobicContact CE1-CG1 4.2Å; Y437-I441 HydrophobicContact CE2-CD1 4.2Å; Y437-I441 HydrophobicContact CE2-CG1 4.45Å; Y437-I441 WeakPolarHBondContact O-CG1 3.34Å; Y437-I441 PolarHBondContact O-N 2.56Å; V438-I441 PolarHBondContact O-N 2.97Å; V438-I441 VanDerWaalsContact O-N 3.12Å; I441-K444 PolarHBondContact O-N 3.36Å; I441-A445 PolarHBondContact O-N 3.49Å
442	V	98.5	Very high	98.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-68.2	-43.9	178	-176.6	0	0	0	0	110.9	I251 L274 V438 K444 A445 I446 L460 Y462	I251-V442 HydrophobicContact CD1-CB 4.29Å; I251-V442 HydrophobicContact CD1-CG1 4.37Å; I251-V442 HydrophobicContact CD1-CG2 3.96Å; L274-V442 HydrophobicContact CD1-CB 4.15Å; L274-V442 HydrophobicContact CD1-CG1 4.27Å; L274-V442 HydrophobicContact CD2-CB 3.84Å; L274-V442 HydrophobicContact CD2-CG1 3.52Å; L274-V442 HydrophobicContact CG-CB 4.48Å; V438-V442 HydrophobicContact CG1-CG2 4.28Å; V438-V442 WeakPolarHBondContact O-CG2 3.39Å; V438-V442 PolarHBondContact O-N 3.04Å; V442-K444 VanDerWaalsContact C-N 3.33Å; V442-K444 PolarHBondContact O-N 3.24Å; V442-A445 PolarHBondContact O-N 3.43Å; V442-I446 HydrophobicContact CG1-CD1 4.32Å; V442-I446 WeakPolarHBondContact O-CG1 3.31Å; V442-I446 PolarHBondContact O-N 3.4Å; V442-L460 HydrophobicContact CG1-CD2 3.84Å; V442-Y462 HydrophobicContact CG2-CD2 3.52Å; V442-Y462 HydrophobicContact CG2-CE2 4.07Å; V442-Y462 HydrophobicContact CG2-CG 3.96Å
443	D	98.5	Very high	97.9	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.112	11%	0.109	C	C	.	.	H	α-helix	trans	-56.5	-44.4	172.4	167	54.1	0	0	0	111.7	R273 D439 A445 I446 N447	R273-D443 HydrophobicContact CB-CB 3.75Å; R273-D443 WeakPolarHBondContact CD-OD2 3.17Å; R273-D443 HydrophobicContact CG-CB 4.48Å; R273-D443 IonicContact NH1-OD2 2.76Å; D439-D443 VanDerWaalsContact O-CB 3.23Å; D439-D443 WeakPolarHBondContact O-CB 3.31Å; D439-D443 PolarHBondContact O-N 3.4Å; D443-A445 VanDerWaalsContact C-N 3.34Å; D443-A445 PolarHBondContact O-N 2.71Å; D443-I446 PolarHBondContact O-N 2.8Å; D443-N447 WeakPolarHBondContact O-CB 3.31Å; D443-N447 VanDerWaalsContact O-CG 3.3Å; D443-N447 PolarHBondContact O-N 2.91Å; D443-N447 PolarHBondContact O-ND2 2.86Å; D443-N447 VanDerWaalsContact O-ND2 3.09Å; D443-N447 PolarHBondContact OD1-ND2 3.2Å
444	K	98.4	Very high	97.6	Very high	60 Å²	60	28 Å²	28	26%	0.261	13%	0.134	S	C	.	.	H	α-helix	trans	-61	-41.6	177.1	-171.8	174.8	-175.4	-178	0	112.1	E368 F371 Y440 I441 V442 N447 L448	E368-K444 IonicContact OE1-NZ 3.15Å; E368-K444 PolarHBondContact OE1-NZ 2.79Å; F371-K444 HydrophobicContact CD1-CG 4.48Å; F371-K444 HydrophobicContact CD2-CD 3.99Å; F371-K444 HydrophobicContact CE1-CB 4.49Å; F371-K444 HydrophobicContact CE1-CD 4.49Å; F371-K444 HydrophobicContact CE1-CG 4.14Å; F371-K444 HydrophobicContact CE2-CB 4.42Å; F371-K444 HydrophobicContact CE2-CD 3.93Å; F371-K444 HydrophobicContact CE2-CG 4.29Å; F371-K444 HydrophobicContact CG-CD 4.29Å; F371-K444 HydrophobicContact CZ-CB 4.03Å; F371-K444 HydrophobicContact CZ-CD 4.2Å; F371-K444 HydrophobicContact CZ-CG 4.04Å; Y440-K444 HydrophobicContact CE1-CD 4.39Å; Y440-K444 VanDerWaalsContact O-CB 3.25Å; Y440-K444 WeakPolarHBondContact O-CB 3.37Å; Y440-K444 PolarHBondContact O-N 3.02Å; I441-K444 PolarHBondContact O-N 3.36Å; V442-K444 VanDerWaalsContact C-N 3.33Å; V442-K444 PolarHBondContact O-N 3.24Å; K444-N447 PolarHBondContact O-N 3.26Å; K444-L448 WeakPolarHBondContact O-CB 3.47Å; K444-L448 PolarHBondContact O-N 3.22Å
445	A	98.3	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.4	-39.9	175	0	0	0	0	0	112.6	I249 I251 F371 I441 V442 D443 N447 L448 L449 L460	I249-A445 HydrophobicContact CD1-CB 4.46Å; I249-A445 HydrophobicContact CG2-CB 4.47Å; I251-A445 HydrophobicContact CD1-CB 3.76Å; F371-A445 HydrophobicContact CE1-CB 3.95Å; F371-A445 HydrophobicContact CZ-CB 3.99Å; I441-A445 PolarHBondContact O-N 3.49Å; V442-A445 PolarHBondContact O-N 3.43Å; D443-A445 VanDerWaalsContact C-N 3.34Å; D443-A445 PolarHBondContact O-N 2.71Å; A445-N447 VanDerWaalsContact C-N 3.34Å; A445-N447 PolarHBondContact O-N 2.97Å; A445-L448 PolarHBondContact O-N 3.3Å; A445-L449 WeakPolarHBondContact O-CG 3.34Å; A445-L449 PolarHBondContact O-N 3.18Å; A445-L460 HydrophobicContact CB-CD1 3.52Å
446	I	98.4	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-44.5	173.2	-69.8	174.4	0	0	0	110.4	L274 D277 V279 V442 D443 L449 K450 L460 W497	L274-I446 HydrophobicContact CD2-CD1 3.9Å; D277-I446 HydrophobicContact CB-CD1 3.92Å; D277-I446 HydrophobicContact CB-CG2 4.49Å; V279-I446 HydrophobicContact CG1-CD1 3.76Å; V442-I446 HydrophobicContact CG1-CD1 4.32Å; V442-I446 WeakPolarHBondContact O-CG1 3.31Å; V442-I446 PolarHBondContact O-N 3.4Å; D443-I446 PolarHBondContact O-N 2.8Å; I446-L449 WeakPolarHBondContact O-CB 3.36Å; I446-L449 PolarHBondContact O-N 2.86Å; I446-K450 HydrophobicContact CG2-CD 4.18Å; I446-K450 VanDerWaalsContact CG2-CE 3.4Å; I446-K450 HydrophobicContact CG2-CG 4.41Å; I446-K450 WeakPolarHBondContact O-CG 3.39Å; I446-K450 PolarHBondContact O-N 3.28Å; I446-L460 HydrophobicContact CG1-CD1 3.97Å; I446-L460 HydrophobicContact CG1-CD2 4.44Å; I446-W497 HydrophobicContact CD1-CB 4.15Å; I446-W497 HydrophobicContact CD1-CG 4.03Å; I446-W497 HydrophobicContact CG1-CB 4.41Å; I446-W497 HydrophobicContact CG1-CD2 4.26Å; I446-W497 HydrophobicContact CG1-CG 4.18Å; I446-W497 HydrophobicContact CG2-CD2 4.05Å; I446-W497 HydrophobicContact CG2-CG 4.43Å; I446-W497 HydrophobicContact CG2-CH2 4.43Å; I446-W497 HydrophobicContact CG2-CZ2 3.93Å
447	N	98.2	Very high	97	Very high	54 Å²	54	32.4 Å²	32.4	29%	0.289	15%	0.152	S	C	.	.	H	α-helix	trans	-66.6	-39.9	179.7	-68.3	-36.8	0	0	0	112.1	D443 K444 A445 L449 K450 E451	D443-N447 WeakPolarHBondContact O-CB 3.31Å; D443-N447 VanDerWaalsContact O-CG 3.3Å; D443-N447 PolarHBondContact O-N 2.91Å; D443-N447 PolarHBondContact O-ND2 2.86Å; D443-N447 VanDerWaalsContact O-ND2 3.09Å; D443-N447 PolarHBondContact OD1-ND2 3.2Å; K444-N447 PolarHBondContact O-N 3.26Å; A445-N447 VanDerWaalsContact C-N 3.34Å; A445-N447 PolarHBondContact O-N 2.97Å; N447-L449 VanDerWaalsContact C-N 3.29Å; N447-L449 PolarHBondContact O-N 2.7Å; N447-K450 WeakPolarHBondContact O-CB 3.46Å; N447-K450 PolarHBondContact O-N 2.9Å; N447-K450 VanDerWaalsContact O-N 3.14Å; N447-K450 PolarHBondContact OD1-NZ 3.46Å; N447-E451 WeakPolarHBondContact O-CG 3.25Å; N447-E451 PolarHBondContact O-N 3.5Å
448	L	97.8	Very high	96.9	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.079	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-41.5	171.3	179.7	64.7	0	0	0	111.9	F371 L374 E375 I378 K444 A445 E451 H452	F371-L448 HydrophobicContact CD1-CD2 4.1Å; F371-L448 HydrophobicContact CE1-CD2 4.38Å; L374-L448 HydrophobicContact CD2-CD2 3.8Å; L374-L448 HydrophobicContact CG-CD2 4.18Å; E375-L448 HydrophobicContact CB-CD1 4.36Å; E375-L448 HydrophobicContact CG-CD1 4.38Å; I378-L448 HydrophobicContact CD1-CD1 4.42Å; I378-L448 HydrophobicContact CD1-CD2 3.75Å; I378-L448 HydrophobicContact CD1-CG 4.02Å; K444-L448 WeakPolarHBondContact O-CB 3.47Å; K444-L448 PolarHBondContact O-N 3.22Å; A445-L448 PolarHBondContact O-N 3.3Å; L448-E451 PolarHBondContact O-N 3.32Å; L448-H452 PolarHBondContact O-ND1 3.12Å
449	L	97.9	Very high	96.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-67.4	-38.9	175.1	-73.8	173.3	0	0	0	112.5	L247 I249 A445 I446 N447 E451 H452 Q453 T458 S459 L460 W497	L247-L449 HydrophobicContact CD2-CD2 3.84Å; L247-L449 HydrophobicContact CG-CD2 3.94Å; I249-L449 HydrophobicContact CB-CD1 4.2Å; I249-L449 HydrophobicContact CD1-CD1 4.03Å; I249-L449 HydrophobicContact CD1-CD2 3.75Å; I249-L449 HydrophobicContact CD1-CG 3.69Å; I249-L449 HydrophobicContact CG1-CD1 4.19Å; I249-L449 HydrophobicContact CG1-CD2 3.95Å; I249-L449 HydrophobicContact CG1-CG 4.22Å; A445-L449 WeakPolarHBondContact O-CG 3.34Å; A445-L449 PolarHBondContact O-N 3.18Å; I446-L449 WeakPolarHBondContact O-CB 3.36Å; I446-L449 PolarHBondContact O-N 2.86Å; N447-L449 VanDerWaalsContact C-N 3.29Å; N447-L449 PolarHBondContact O-N 2.7Å; L449-E451 VanDerWaalsContact C-N 3.31Å; L449-E451 PolarHBondContact O-N 2.95Å; L449-H452 PolarHBondContact O-N 3.26Å; L449-Q453 WeakPolarHBondContact O-CG 3.44Å; L449-Q453 PolarHBondContact O-N 3.29Å; L449-T458 HydrophobicContact CB-CG2 4.13Å; L449-T458 HydrophobicContact CD2-CG2 3.77Å; L449-S459 WeakPolarHBondContact CD1-O 3.34Å; L449-L460 HydrophobicContact CD1-CB 3.77Å; L449-L460 HydrophobicContact CD1-CD1 4.18Å; L449-W497 HydrophobicContact CB-CH2 4.28Å; L449-W497 HydrophobicContact CB-CZ3 3.91Å; L449-W497 HydrophobicContact CD1-CE3 4.28Å; L449-W497 HydrophobicContact CD1-CZ3 3.96Å
450	K	97.4	Very high	96.9	Very high	73 Å²	73	32.1 Å²	32.1	32%	0.317	15%	0.151	S	C	.	.	H	α-helix	trans	-61.1	-40.4	175.3	-72.4	171.3	-172.1	154.4	0	111.2	D277 I446 N447 H452 Q453 W497	D277-K450 IonicContact OD1-NZ 3.66Å; D277-K450 PolarHBondContact OD1-NZ 3.28Å; I446-K450 HydrophobicContact CG2-CD 4.18Å; I446-K450 VanDerWaalsContact CG2-CE 3.4Å; I446-K450 HydrophobicContact CG2-CG 4.41Å; I446-K450 WeakPolarHBondContact O-CG 3.39Å; I446-K450 PolarHBondContact O-N 3.28Å; N447-K450 WeakPolarHBondContact O-CB 3.46Å; N447-K450 PolarHBondContact O-N 2.9Å; N447-K450 VanDerWaalsContact O-N 3.14Å; N447-K450 PolarHBondContact OD1-NZ 3.46Å; K450-H452 PolarHBondContact O-N 3.46Å; K450-Q453 PolarHBondContact O-N 2.9Å; K450-W497 HydrophobicContact CG-CH2 4.04Å; K450-W497 HydrophobicContact CG-CZ2 3.9Å
451	E	96.5	Very high	96.9	Very high	129 Å²	129	30.2 Å²	30.2	60%	0.603	14%	0.144	S	C	*	.	H	α-helix	trans	-63.5	-23.5	178.9	-73.2	168.8	-177.8	0	0	113.5	N447 L448 L449	N447-E451 WeakPolarHBondContact O-CG 3.25Å; N447-E451 PolarHBondContact O-N 3.5Å; L448-E451 PolarHBondContact O-N 3.32Å; L449-E451 VanDerWaalsContact C-N 3.31Å; L449-E451 PolarHBondContact O-N 2.95Å
452	H	96.4	Very high	96.9	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.042	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	12	-178	-68.8	82.6	0	0	0	114.1	I378 L448 L449 K450 D454 K455 F456	I378-H452 HydrophobicContact CG2-CB 4.35Å; I378-H452 WeakPolarHBondContact CG2-CD2 3.44Å; L448-H452 PolarHBondContact O-ND1 3.12Å; L449-H452 PolarHBondContact O-N 3.26Å; K450-H452 PolarHBondContact O-N 3.46Å; H452-D454 PolarHBondContact O-N 2.96Å; H452-K455 PolarHBondContact O-N 3.03Å; H452-F456 HydrophobicContact CB-CD2 4.15Å; H452-F456 PolarHBondContact O-N 2.88Å
453	Q	94.5	Very high	96.9	Very high	61 Å²	61	30.1 Å²	30.1	29%	0.285	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.3	179.3	-77.4	-179.8	-10.2	0	0	114.4	R244 L449 K450 K455 F456 T458	R244-Q453 VanDerWaalsContact CZ-O 3.28Å; R244-Q453 PolarHBondContact NE-O 3.45Å; L449-Q453 WeakPolarHBondContact O-CG 3.44Å; L449-Q453 PolarHBondContact O-N 3.29Å; K450-Q453 PolarHBondContact O-N 2.9Å; Q453-K455 VanDerWaalsContact C-N 3.34Å; Q453-F456 WeakPolarHBondContact CA-O 3.47Å; Q453-T458 HydrophobicContact CG-CG2 4.43Å; Q453-T458 WeakPolarHBondContact CG-OG1 3.29Å; Q453-T458 PolarHBondContact NE2-OG1 3.02Å
454	D	91.9	Very high	96.9	Very high	99 Å²	99	29.1 Å²	29.1	53%	0.529	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-38.6	171.8	66.9	-40.7	0	0	0	111.4	R244 H452	R244-D454 PolarHBondContact NE-O 2.63Å; H452-D454 PolarHBondContact O-N 2.96Å
455	K	92.2	Very high	96.8	Very high	93 Å²	93	26.3 Å²	26.3	40%	0.404	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-38	-178.8	-65.2	172.4	-168.7	174.2	0	113.5	R244 N379 H452 Q453	R244-K455 WeakPolarHBondContact CB-O 3.38Å; N379-K455 PolarHBondContact OD1-NZ 2.86Å; H452-K455 PolarHBondContact O-N 3.03Å; Q453-K455 VanDerWaalsContact C-N 3.34Å
456	F	95.6	Very high	96.7	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.039	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152	-169.7	-61.1	-82.6	0	0	0	113.5	K245 L247 I378 L381 H452 Q453 T458	K245-F456 HydrophobicContact CB-CD1 4Å; K245-F456 HydrophobicContact CB-CE1 4.13Å; K245-F456 CarbonylContact O-C 3.55Å; K245-F456 WeakPolarHBondContact O-CA 3.39Å; K245-F456 WeakPolarHBondContact O-CD1 3.4Å; L247-F456 HydrophobicContact CB-CB 3.83Å; L247-F456 HydrophobicContact CB-CD1 3.85Å; L247-F456 HydrophobicContact CB-CG 3.87Å; L247-F456 HydrophobicContact CD2-CD2 4.19Å; L247-F456 HydrophobicContact CD2-CG 4.21Å; I378-F456 HydrophobicContact CG2-CD2 4.42Å; I378-F456 HydrophobicContact CG2-CE2 3.94Å; L381-F456 HydrophobicContact CB-CZ 4.13Å; L381-F456 HydrophobicContact CD2-CE1 3.98Å; L381-F456 HydrophobicContact CD2-CZ 4.08Å; L381-F456 HydrophobicContact CG-CZ 4.46Å; H452-F456 HydrophobicContact CB-CD2 4.15Å; H452-F456 PolarHBondContact O-N 2.88Å; Q453-F456 WeakPolarHBondContact CA-O 3.47Å; F456-T458 HydrophobicContact CB-CG2 3.87Å
457	T	94.2	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.9	164.1	-61.4	0	0	0	0	107.4	K245 N246 L247 D501 Y502 R505 Y506	K245-T457 PolarHBondContact O-N 2.94Å; N246-T457 WeakPolarHBondContact CA-O 3.49Å; L247-T457 PolarHBondContact N-O 2.81Å; T457-D501 WeakPolarHBondContact CB-OD2 3.46Å; T457-D501 WeakPolarHBondContact CG2-OD2 3.34Å; T457-D501 PolarHBondContact OG1-OD2 2.75Å; T457-Y502 HydrophobicContact CG2-CD2 3.86Å; T457-Y502 HydrophobicContact CG2-CG 4.21Å; T457-R505 VanDerWaalsContact OG1-CZ 3.31Å; T457-R505 PolarHBondContact OG1-NH1 3.02Å; T457-R505 PolarHBondContact OG1-NH2 3.24Å; T457-Y506 HydrophobicContact CG2-CE2 3.86Å
458	T	97.4	Very high	96.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.8	-161.7	54.7	0	0	0	0	113.7	L247 L449 Q453 F456 S499	L247-T458 HydrophobicContact CB-CG2 4.34Å; L247-T458 WeakPolarHBondContact O-CA 3.45Å; L449-T458 HydrophobicContact CB-CG2 4.13Å; L449-T458 HydrophobicContact CD2-CG2 3.77Å; Q453-T458 HydrophobicContact CG-CG2 4.43Å; Q453-T458 WeakPolarHBondContact CG-OG1 3.29Å; Q453-T458 PolarHBondContact NE2-OG1 3.02Å; F456-T458 HydrophobicContact CB-CG2 3.87Å; T458-S499 PolarHBondContact N-OG 3.08Å; T458-S499 VanDerWaalsContact O-CB 3.25Å; T458-S499 WeakPolarHBondContact O-CB 3.33Å; T458-S499 PolarHBondContact O-N 3.45Å; T458-S499 PolarHBondContact O-OG 3.35Å
459	S	97.9	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.1	174.9	38.8	0	0	0	0	110.9	L247 T248 I249 L449 W497	L247-S459 PolarHBondContact O-N 3.47Å; L247-S459 VanDerWaalsContact O-N 3.1Å; T248-S459 VanDerWaalsContact CA-O 3.29Å; T248-S459 WeakPolarHBondContact CA-O 3.22Å; T248-S459 PolarHBondContact OG1-OG 3.16Å; I249-S459 PolarHBondContact N-O 2.78Å; L449-S459 WeakPolarHBondContact CD1-O 3.34Å; S459-W497 CarbonylContact C-O 3.5Å; S459-W497 VanDerWaalsContact CA-O 3.31Å; S459-W497 WeakPolarHBondContact CA-O 3.39Å
460	L	98.6	Very high	96.2	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.3	175.4	-179.1	146.7	0	0	0	110.9	I249 I251 V442 A445 I446 L449 L496 W497	I249-L460 HydrophobicContact CB-CD1 4.22Å; I249-L460 HydrophobicContact CB-CG 4.48Å; I249-L460 HydrophobicContact CG2-CD1 4.16Å; I249-L460 CarbonylContact O-C 3.56Å; I249-L460 WeakPolarHBondContact O-CA 3.48Å; I251-L460 HydrophobicContact CD1-CD1 4.02Å; I251-L460 HydrophobicContact CG1-CD1 4.49Å; V442-L460 HydrophobicContact CG1-CD2 3.84Å; A445-L460 HydrophobicContact CB-CD1 3.52Å; I446-L460 HydrophobicContact CG1-CD1 3.97Å; I446-L460 HydrophobicContact CG1-CD2 4.44Å; L449-L460 HydrophobicContact CD1-CB 3.77Å; L449-L460 HydrophobicContact CD1-CD1 4.18Å; L460-L496 WeakPolarHBondContact O-CA 3.48Å; L460-W497 HydrophobicContact CB-CB 4.27Å; L460-W497 HydrophobicContact CB-CE3 4.2Å; L460-W497 PolarHBondContact N-O 3.12Å; L460-W497 PolarHBondContact O-N 3.05Å
461	V	98.5	Very high	95.8	Very high	6 Å²	6	20.4 Å²	20.4	4%	0.036	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.8	169.3	-177.5	0	0	0	0	107.3	I249 L250 I251 L495 L496 L527 L534	I249-V461 PolarHBondContact O-N 3.16Å; L250-V461 CarbonylContact C-O 3.56Å; L250-V461 WeakPolarHBondContact CA-O 3.44Å; L250-V461 HydrophobicContact CD1-CB 3.72Å; L250-V461 HydrophobicContact CD1-CG1 3.7Å; I251-V461 PolarHBondContact N-O 3.11Å; V461-L495 CarbonylContact C-O 3.58Å; V461-L495 WeakPolarHBondContact CA-O 3.38Å; V461-L496 HydrophobicContact CG2-CD1 3.76Å; V461-L527 HydrophobicContact CG1-CD1 4.12Å; V461-L534 HydrophobicContact CG2-CD1 3.47Å; V461-L534 VanDerWaalsContact CG2-CD1 3.47Å
462	Y	98.5	Very high	95.4	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.3	164.3	162.5	-80.9	0	0	0	108.5	I251 S256 F261 V438 V442 P493 M494 L495	I251-Y462 HydrophobicContact CB-CD2 3.84Å; I251-Y462 HydrophobicContact CG2-CD2 3.65Å; I251-Y462 HydrophobicContact CG2-CE2 4.2Å; I251-Y462 WeakPolarHBondContact O-CA 3.16Å; S256-Y462 WeakPolarHBondContact CB-OH 3.35Å; S256-Y462 PolarHBondContact OG-OH 3.22Å; F261-Y462 HydrophobicContact CE1-CE1 4.28Å; F261-Y462 HydrophobicContact CZ-CE1 4.08Å; V438-Y462 HydrophobicContact CG1-CE2 3.69Å; V438-Y462 WeakPolarHBondContact CG1-OH 3.33Å; V442-Y462 HydrophobicContact CG2-CD2 3.52Å; V442-Y462 HydrophobicContact CG2-CE2 4.07Å; V442-Y462 HydrophobicContact CG2-CG 3.96Å; Y462-P493 HydrophobicContact CE1-CB 4.04Å; Y462-P493 HydrophobicContact CE1-CG 3.73Å; Y462-M494 CarbonylContact O-C 3.56Å; Y462-M494 WeakPolarHBondContact O-CA 3.32Å; Y462-L495 HydrophobicContact CD1-CB 4.21Å; Y462-L495 HydrophobicContact CD1-CD1 3.57Å; Y462-L495 HydrophobicContact CD1-CG 4.16Å; Y462-L495 HydrophobicContact CE1-CD1 4.17Å; Y462-L495 HydrophobicContact CG-CD1 4.18Å; Y462-L495 PolarHBondContact N-O 3.06Å; Y462-L495 PolarHBondContact O-N 3.08Å
463	L	98.3	Very high	94.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	125.2	-179.7	178.8	61.8	0	0	0	108.9	I251 V252 G253 T285 M299 V492 M494 Q524 L527	I251-L463 PolarHBondContact O-N 3Å; V252-L463 WeakPolarHBondContact CA-O 3.26Å; G253-L463 PolarHBondContact N-O 2.83Å; T285-L463 HydrophobicContact CG2-CD1 4.07Å; M299-L463 HydrophobicContact SD-CD2 4.32Å; L463-V492 HydrophobicContact CD1-CG2 4.11Å; L463-M494 HydrophobicContact CD1-CB 3.68Å; L463-M494 HydrophobicContact CD1-CG 3.95Å; L463-M494 HydrophobicContact CD1-SD 4.16Å; L463-Q524 HydrophobicContact CD1-CG 4.27Å; L463-Q524 HydrophobicContact CD2-CG 3.77Å; L463-Q524 HydrophobicContact CG-CG 4.22Å; L463-L527 HydrophobicContact CD2-CB 4.13Å; L463-L527 HydrophobicContact CD2-CD1 4.27Å; L463-L527 HydrophobicContact CD2-CD2 3.98Å; L463-L527 HydrophobicContact CD2-CG 4.34Å
464	S	98	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	150	173	-153.5	0	0	0	0	111.5	G253 S256 H466 P493 Q524	G253-S464 CarbonylContact O-C 3.56Å; G253-S464 WeakPolarHBondContact O-CA 3.26Å; G253-S464 PolarHBondContact O-OG 3.25Å; S256-S464 WeakPolarHBondContact CB-OG 3.38Å; S256-S464 PolarHBondContact N-OG 2.87Å; S256-S464 WeakPolarHBondContact O-CB 3.45Å; S256-S464 PolarHBondContact O-OG 3.07Å; S464-H466 PolarHBondContact OG-O 2.86Å; S464-P493 PolarHBondContact N-O 2.66Å; S464-Q524 PolarHBondContact O-NE2 3.06Å
465	D	96.6	Very high	94	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-71.2	-44.8	177.8	76.5	-39.3	0	0	0	113.6	G253 E254 T255 S287 T292 S295 V296 M299 Q524	G253-D465 PolarHBondContact O-N 2.83Å; G253-D465 VanDerWaalsContact O-OD1 3.1Å; E254-D465 VanDerWaalsContact CA-OD1 3.32Å; E254-D465 WeakPolarHBondContact CA-OD1 3.32Å; T255-D465 PolarHBondContact N-OD1 2.97Å; S287-D465 VanDerWaalsContact CB-O 3.31Å; S287-D465 WeakPolarHBondContact CB-O 3.27Å; T292-D465 WeakPolarHBondContact CA-OD2 3.33Å; T292-D465 PolarHBondContact OG1-OD2 2.84Å; T292-D465 VanDerWaalsContact OG1-OD2 3.14Å; S295-D465 WeakPolarHBondContact CB-O 3.49Å; S295-D465 PolarHBondContact OG-O 3.28Å; V296-D465 HydrophobicContact CG2-CB 4.16Å; M299-D465 HydrophobicContact CE-CB 4.03Å; D465-Q524 VanDerWaalsContact C-NE2 3.34Å; D465-Q524 PolarHBondContact O-NE2 2.94Å
466	H	96.9	Very high	93.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.101	C	C	.	.			trans	-158.3	175.1	169.2	53.8	76.9	0	0	0	109.8	E254 T255 S256 T290 A291 T292 S464 H478 V492	E254-H466 IonicContact OE1-CE1 3.58Å; E254-H466 IonicContact OE1-NE2 2.97Å; T255-H466 CarbonylContact C-O 3.53Å; T255-H466 WeakPolarHBondContact CA-O 3.26Å; T255-H466 WeakPolarHBondContact CG2-CE1 3.31Å; S256-H466 PolarHBondContact N-O 2.67Å; T290-H466 VanDerWaalsContact C-CD2 3.44Å; A291-H466 VanDerWaalsContact C-NE2 3.31Å; A291-H466 WeakPolarHBondContact CA-CD2 3.43Å; A291-H466 WeakPolarHBondContact CA-NE2 3.05Å; A291-H466 PolarHBondContact N-CD2 3Å; T292-H466 PolarHBondContact N-CD2 2.9Å; T292-H466 VanDerWaalsContact N-CD2 3.31Å; T292-H466 PolarHBondContact N-NE2 3.41Å; S464-H466 PolarHBondContact OG-O 2.86Å; H466-H478 AromaticContact CE1-CD2 3.2Å; H466-H478 PolarHBondContact CE1-CD2 3.36Å; H466-H478 AromaticContact CE1-CE1 3.84Å; H466-H478 AromaticContact CE1-CG 3.27Å; H466-H478 AromaticContact CE1-ND1 3.69Å; H466-H478 AromaticContact CE1-NE2 3.64Å; H466-H478 AromaticContact ND1-CG 3.78Å; H466-H478 AromaticContact NE2-CD2 3.63Å; H466-V492 VanDerWaalsContact CA-CG1 3.41Å
467	G	96.5	Very high	93.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.			trans	-93.9	-169.7	173.7	0	0	0	0	0	113.1	S488 Q489	G467-S488 CarbonylContact C-O 3.59Å; G467-S488 VanDerWaalsContact CA-O 3.22Å; G467-S488 WeakPolarHBondContact CA-O 3.41Å; G467-Q489 PolarHBondContact N-O 2.91Å
468	E	95.3	Very high	93.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.			trans	-139.1	140.7	-173	-171.2	73.3	161.4	0	0	111.8	R257 Y399 Y431 L470 L477 H478 S488	R257-E468 VanDerWaalsContact CD-O 3.26Å; R257-E468 WeakPolarHBondContact CD-O 3.36Å; R257-E468 PolarHBondContact NH1-O 3.27Å; Y399-E468 HydrophobicContact CE1-CG 4.14Å; Y399-E468 WeakPolarHBondContact OH-CG 3.44Å; Y399-E468 PolarHBondContact OH-OE1 2.9Å; Y431-E468 HydrophobicContact CE2-CB 3.9Å; Y431-E468 HydrophobicContact CE2-CG 4.1Å; E468-L470 HydrophobicContact CG-CD2 4.09Å; E468-L477 VanDerWaalsContact OE1-CA 3.3Å; E468-L477 WeakPolarHBondContact OE1-CA 3.42Å; E468-L477 WeakPolarHBondContact OE1-CD2 3.04Å; E468-H478 IonicContact OE1-ND1 3.79Å; E468-H478 WeakPolarHBondContact OE2-CB 3.49Å; E468-H478 IonicContact OE2-CE1 3.6Å; E468-H478 IonicContact OE2-CG 2.7Å; E468-H478 PolarHBondContact OE2-N 2.74Å; E468-H478 IonicContact OE2-ND1 3.34Å; E468-H478 PolarHBondContact OE2-ND1 3.4Å; E468-S488 PolarHBondContact N-O 2.86Å
469	S	95.4	Very high	93.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.4	170.1	-56	0	0	0	0	111.8	I475 Y476 L477 P486 Q489	S469-I475 VanDerWaalsContact CB-O 3.31Å; S469-I475 WeakPolarHBondContact CB-O 3.38Å; S469-Y476 CarbonylContact O-C 3.58Å; S469-Y476 WeakPolarHBondContact O-CA 3.44Å; S469-L477 VanDerWaalsContact CB-O 3.27Å; S469-L477 WeakPolarHBondContact CB-O 3.44Å; S469-L477 PolarHBondContact N-O 3.37Å; S469-L477 PolarHBondContact O-N 2.92Å; S469-L477 PolarHBondContact OG-O 3.44Å; S469-P486 WeakPolarHBondContact OG-CG 3.29Å; S469-Q489 WeakPolarHBondContact OG-CG 3.4Å; S469-Q489 PolarHBondContact OG-NE2 2.91Å
470	L	94.2	Very high	92.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	30.2	-176.6	-57.6	179.9	0	0	0	111.7	Y399 L427 V428 Y431 E468 E472	Y399-L470 HydrophobicContact CE1-CD2 4.5Å; Y399-L470 HydrophobicContact CE2-CD2 4.39Å; L427-L470 HydrophobicContact CD2-CB 4.11Å; L427-L470 WeakPolarHBondContact CD2-O 3.11Å; L427-L470 HydrophobicContact CG-CB 4.3Å; L427-L470 HydrophobicContact CG-CD2 4.28Å; V428-L470 HydrophobicContact CG2-CD1 4.09Å; Y431-L470 HydrophobicContact CD1-CD1 3.68Å; Y431-L470 HydrophobicContact CD2-CD1 4.21Å; Y431-L470 HydrophobicContact CD2-CD2 3.79Å; Y431-L470 HydrophobicContact CE1-CD1 4.33Å; Y431-L470 HydrophobicContact CE2-CD2 4.41Å; Y431-L470 HydrophobicContact CG-CD1 3.6Å; Y431-L470 HydrophobicContact CG-CD2 3.96Å; Y431-L470 HydrophobicContact CG-CG 4.37Å; E468-L470 HydrophobicContact CG-CD2 4.09Å; L470-E472 PolarHBondContact N-OE2 3.02Å
471	G	89.4	Confident	92.3	Very high	18 Å²	18	20 Å²	20	19%	0.186	12%	0.119	C	C	.	.	S	Bend	trans	101.2	4.3	179.4	0	0	0	0	0	114.7	N473 G474 I475 Y476	G471-N473 PolarHBondContact O-N 3.49Å; G471-G474 PolarHBondContact O-N 3.37Å; G471-I475 CarbonylContact C-O 3.59Å; G471-I475 WeakPolarHBondContact CA-O 3.4Å; G471-I475 PolarHBondContact N-O 3.18Å; G471-Y476 VanDerWaalsContact CA-CE1 3.44Å
472	E	87.9	Confident	92	Very high	30 Å²	30	22.5 Å²	22.5	14%	0.14	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-56.9	128.1	171.3	-59.7	84.9	179.2	0	0	109.9	R257 L470 G474 I475	R257-E472 IonicContact CZ-OE1 3.05Å; R257-E472 IonicContact NH1-OE1 2.78Å; R257-E472 PolarHBondContact NH1-OE1 2.82Å; R257-E472 IonicContact NH1-OE2 3.87Å; R257-E472 IonicContact NH2-OE1 3.81Å; R257-E472 PolarHBondContact NH2-OE1 3.37Å; L470-E472 PolarHBondContact N-OE2 3.02Å; E472-G474 PolarHBondContact O-N 3.3Å; E472-I475 WeakPolarHBondContact O-CB 3.35Å; E472-I475 PolarHBondContact O-N 3.44Å
473	N	82	Confident	91.4	Very high	159 Å²	159	26.9 Å²	26.9	85%	0.85	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	54.4	21.7	-175.2	-57.1	-35.3	0	0	0	115	G471 I475	G471-N473 PolarHBondContact O-N 3.49Å; N473-I475 VanDerWaalsContact C-N 3.31Å
474	G	82.6	Confident	90.9	Very high	49 Å²	49	30.7 Å²	30.7	51%	0.505	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	77.6	14	-177.3	0	0	0	0	0	114.5	G471 E472	G471-G474 PolarHBondContact O-N 3.37Å; E472-G474 PolarHBondContact O-N 3.3Å
475	I	87.5	Confident	90.6	Very high	34 Å²	34	30.9 Å²	30.9	17%	0.174	19%	0.185	C	C	.	.			trans	-98.1	130	177.9	-55.5	171.9	0	0	0	108.2	S469 G471 E472 N473 L480	S469-I475 VanDerWaalsContact CB-O 3.31Å; S469-I475 WeakPolarHBondContact CB-O 3.38Å; G471-I475 CarbonylContact C-O 3.59Å; G471-I475 WeakPolarHBondContact CA-O 3.4Å; G471-I475 PolarHBondContact N-O 3.18Å; E472-I475 WeakPolarHBondContact O-CB 3.35Å; E472-I475 PolarHBondContact O-N 3.44Å; N473-I475 VanDerWaalsContact C-N 3.31Å; I475-L480 HydrophobicContact CD1-CD1 3.86Å; I475-L480 HydrophobicContact CG1-CD1 4.46Å; I475-L480 HydrophobicContact CG2-CD1 3.58Å; I475-L480 HydrophobicContact CG2-CG 4.37Å
476	Y	91.4	Very high	90.5	Very high	45 Å²	45	32.1 Å²	32.1	18%	0.176	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.4	175.6	-65.4	-93.6	0	0	0	109.2	Y106 I419 Q420 L427 S469 G471	Y106-Y476 PolarHBondContact O-N 2.95Å; I419-Y476 HydrophobicContact CD1-CD1 3.88Å; I419-Y476 HydrophobicContact CD1-CG 4.41Å; I419-Y476 HydrophobicContact CG1-CD1 4.08Å; Q420-Y476 HydrophobicContact CB-CE2 4.24Å; L427-Y476 HydrophobicContact CD2-CD1 4.14Å; L427-Y476 HydrophobicContact CD2-CE1 3.92Å; S469-Y476 CarbonylContact O-C 3.58Å; S469-Y476 WeakPolarHBondContact O-CA 3.44Å; G471-Y476 VanDerWaalsContact CA-CE1 3.44Å
477	L	91.8	Very high	90.4	Very high	21 Å²	21	37.2 Å²	37.2	11%	0.11	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.9	-148.1	179.2	-48.4	173.7	0	0	0	112.4	Y106 P397 I419 E468 S469 Q489	Y106-L477 HydrophobicContact CD1-CD1 3.66Å; Y106-L477 HydrophobicContact CD1-CG 4.26Å; Y106-L477 HydrophobicContact CE1-CD1 4.05Å; Y106-L477 HydrophobicContact CG-CD1 4.23Å; P397-L477 HydrophobicContact CB-CD2 4.12Å; I419-L477 HydrophobicContact CD1-CD2 3.97Å; I419-L477 HydrophobicContact CD1-CG 4.47Å; E468-L477 VanDerWaalsContact OE1-CA 3.3Å; E468-L477 WeakPolarHBondContact OE1-CA 3.42Å; E468-L477 WeakPolarHBondContact OE1-CD2 3.04Å; S469-L477 VanDerWaalsContact CB-O 3.27Å; S469-L477 WeakPolarHBondContact CB-O 3.44Å; S469-L477 PolarHBondContact N-O 3.37Å; S469-L477 PolarHBondContact O-N 2.92Å; S469-L477 PolarHBondContact OG-O 3.44Å; L477-Q489 PolarHBondContact O-NE2 3.29Å; L477-Q489 VanDerWaalsContact O-NE2 3.1Å
478	H	91.5	Very high	90.3	Very high	32 Å²	32	37.8 Å²	37.8	15%	0.148	23%	0.225	C	C	.	.	S	Bend	trans	-138.5	-170.6	-177.1	58.5	-92.6	0	0	0	111.4	T255 T290 H395 H466 E468	T255-H478 WeakPolarHBondContact CG2-ND1 3.35Å; T290-H478 WeakPolarHBondContact O-CB 3.31Å; H395-H478 AromaticContact NE2-CE1 3.8Å; H466-H478 AromaticContact CE1-CD2 3.2Å; H466-H478 PolarHBondContact CE1-CD2 3.36Å; H466-H478 AromaticContact CE1-CE1 3.84Å; H466-H478 AromaticContact CE1-CG 3.27Å; H466-H478 AromaticContact CE1-ND1 3.69Å; H466-H478 AromaticContact CE1-NE2 3.64Å; H466-H478 AromaticContact ND1-CG 3.78Å; H466-H478 AromaticContact NE2-CD2 3.63Å; E468-H478 IonicContact OE1-ND1 3.79Å; E468-H478 WeakPolarHBondContact OE2-CB 3.49Å; E468-H478 IonicContact OE2-CE1 3.6Å; E468-H478 IonicContact OE2-CG 2.7Å; E468-H478 PolarHBondContact OE2-N 2.74Å; E468-H478 IonicContact OE2-ND1 3.34Å; E468-H478 PolarHBondContact OE2-ND1 3.4Å
479	G	88.9	Confident	90.3	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	23%	0.225	C	C	.	.			trans	86.6	18.6	178.5	0	0	0	0	0	115.1	T290	T290-G479 VanDerWaalsContact O-CA 3.29Å; T290-G479 WeakPolarHBondContact O-CA 3.3Å; T290-G479 PolarHBondContact O-N 2.91Å
480	L	89.1	Confident	90.4	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.042	23%	0.231	C	C	.	.			trans	-73.3	147.8	171.2	-76.3	179.5	0	0	0	111.3	V109 T290 I475 Y482 I484 A485	V109-L480 HydrophobicContact CG2-CD2 3.91Å; T290-L480 WeakPolarHBondContact CB-O 3.35Å; T290-L480 PolarHBondContact OG1-O 3.24Å; I475-L480 HydrophobicContact CD1-CD1 3.86Å; I475-L480 HydrophobicContact CG1-CD1 4.46Å; I475-L480 HydrophobicContact CG2-CD1 3.58Å; I475-L480 HydrophobicContact CG2-CG 4.37Å; L480-Y482 PolarHBondContact O-N 3.39Å; L480-I484 HydrophobicContact CD2-CD1 4.45Å; L480-A485 HydrophobicContact CB-CB 3.81Å
481	P	88.4	Confident	90.6	Very high	14 Å²	14	42 Å²	42	9%	0.091	24%	0.244	C	C	.	.			trans	-51.3	129.4	170.3	-18.9	24.4	0	0	0	110.7	V109 D111 E198 A483 I484 A485	V109-P481 HydrophobicContact CB-CG 4.23Å; V109-P481 HydrophobicContact CG1-CG 4.17Å; D111-P481 WeakPolarHBondContact OD2-CG 3.46Å; E198-P481 WeakPolarHBondContact OE2-CG 3.4Å; P481-A483 PolarHBondContact O-N 3.18Å; P481-I484 HydrophobicContact CB-CG1 4.19Å; P481-I484 HydrophobicContact CG-CD1 4.32Å; P481-I484 HydrophobicContact CG-CG1 4.26Å; P481-I484 WeakPolarHBondContact O-CG1 3.44Å; P481-I484 PolarHBondContact O-N 3.01Å; P481-A485 PolarHBondContact O-N 3.49Å
482	Y	91.2	Very high	91	Very high	58 Å²	58	41.2 Å²	41.2	23%	0.227	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-34.2	-172.3	-163	-88.6	0	0	0	113.4	S287 T290 L480 I484 K490	S287-Y482 VanDerWaalsContact O-CE2 3.22Å; S287-Y482 WeakPolarHBondContact O-CE2 3.31Å; S287-Y482 PolarHBondContact O-OH 3.37Å; T290-Y482 HydrophobicContact CG2-CD2 4.09Å; L480-Y482 PolarHBondContact O-N 3.39Å; Y482-I484 PolarHBondContact O-N 3.28Å; Y482-K490 HydrophobicContact CD2-CG 4.47Å; Y482-K490 HydrophobicContact CE1-CD 4.37Å; Y482-K490 HydrophobicContact CE2-CG 4.03Å; Y482-K490 WeakPolarHBondContact O-CE 3.33Å; Y482-K490 PolarHBondContact O-NZ 2.86Å
483	A	87.2	Confident	91.4	Very high	92 Å²	92	39.8 Å²	39.8	76%	0.76	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.6	179.2	0	0	0	0	0	114.3	P481	P481-A483 PolarHBondContact O-N 3.18Å
484	I	87.3	Confident	92.2	Very high	81 Å²	81	32.4 Å²	32.4	42%	0.415	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-8	-177.1	64.2	159.4	0	0	0	113.7	V109 E198 L480 P481 Y482	V109-I484 HydrophobicContact CG2-CD1 4.24Å; E198-I484 HydrophobicContact CG-CD1 4.11Å; E198-I484 HydrophobicContact CG-CG2 4.2Å; L480-I484 HydrophobicContact CD2-CD1 4.45Å; P481-I484 HydrophobicContact CB-CG1 4.19Å; P481-I484 HydrophobicContact CG-CD1 4.32Å; P481-I484 HydrophobicContact CG-CG1 4.26Å; P481-I484 WeakPolarHBondContact O-CG1 3.44Å; P481-I484 PolarHBondContact O-N 3.01Å; Y482-I484 PolarHBondContact O-N 3.28Å
485	A	91.8	Very high	92.8	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.033	17%	0.166	C	C	.	.			trans	-63.5	140.3	179.4	0	0	0	0	0	110.9	T290 L480 P481 Q489 K490	T290-A485 HydrophobicContact CG2-CB 3.49Å; T290-A485 VanDerWaalsContact CG2-CB 3.49Å; L480-A485 HydrophobicContact CB-CB 3.81Å; P481-A485 PolarHBondContact O-N 3.49Å; A485-Q489 HydrophobicContact CB-CB 4.35Å; A485-K490 HydrophobicContact CB-CG 4.49Å; A485-K490 WeakPolarHBondContact O-CE 3.34Å; A485-K490 PolarHBondContact O-NZ 3.03Å
486	P	93.9	Very high	93.3	Very high	26 Å²	26	28.9 Å²	28.9	17%	0.169	16%	0.159	C	C	.	.			trans	-69.5	161.7	177.4	30.3	-35.1	0	0	0	111.2	S469 S488 Q489 K490	S469-P486 WeakPolarHBondContact OG-CG 3.29Å; P486-S488 PolarHBondContact O-N 3.25Å; P486-Q489 HydrophobicContact CG-CG 4.13Å; P486-Q489 PolarHBondContact O-N 3.36Å; P486-K490 PolarHBondContact O-N 3.07Å
487	D	94.9	Very high	93.7	Very high	107 Å²	107	27.4 Å²	27.4	57%	0.572	15%	0.153	S	C	*	.	H	α-helix	trans	-59.8	-29.3	177	-68	-26.4	0	0	0	112.2	Q489 K490 Q491	D487-Q489 PolarHBondContact O-N 2.96Å; D487-Q489 VanDerWaalsContact O-N 3.12Å; D487-K490 PolarHBondContact O-N 3.29Å; D487-Q491 HydrophobicContact CB-CG 4.08Å; D487-Q491 WeakPolarHBondContact O-CB 3.5Å; D487-Q491 PolarHBondContact O-N 2.84Å
488	S	95.3	Very high	93.9	Very high	13 Å²	13	26.6 Å²	26.6	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-20.1	173.6	-46.8	0	0	0	0	113.7	R257 E259 G467 E468 P486	R257-S488 VanDerWaalsContact CB-O 3.3Å; R257-S488 WeakPolarHBondContact CB-O 3.36Å; E259-S488 PolarHBondContact OE2-OG 3.42Å; E259-S488 VanDerWaalsContact OE2-OG 3.04Å; G467-S488 CarbonylContact C-O 3.59Å; G467-S488 VanDerWaalsContact CA-O 3.22Å; G467-S488 WeakPolarHBondContact CA-O 3.41Å; E468-S488 PolarHBondContact N-O 2.86Å; P486-S488 PolarHBondContact O-N 3.25Å
489	Q	95.5	Very high	94.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-95.7	-20.1	170.3	-67.4	-175.7	15.8	0	0	113.6	T290 G467 S469 L477 A485 P486 D487	T290-Q489 HydrophobicContact CG2-CB 4.13Å; G467-Q489 PolarHBondContact N-O 2.91Å; S469-Q489 WeakPolarHBondContact OG-CG 3.4Å; S469-Q489 PolarHBondContact OG-NE2 2.91Å; L477-Q489 PolarHBondContact O-NE2 3.29Å; L477-Q489 VanDerWaalsContact O-NE2 3.1Å; A485-Q489 HydrophobicContact CB-CB 4.35Å; P486-Q489 HydrophobicContact CG-CG 4.13Å; P486-Q489 PolarHBondContact O-N 3.36Å; D487-Q489 PolarHBondContact O-N 2.96Å; D487-Q489 VanDerWaalsContact O-N 3.12Å
490	K	97.1	Very high	94.3	Very high	32 Å²	32	31.1 Å²	31.1	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-100.3	-32.1	-173.1	-65.6	169.8	172.7	163.4	0	113.9	A286 S287 Y482 A485 P486 D487	A286-K490 CarbonylContact C-O 3.57Å; A286-K490 WeakPolarHBondContact CA-O 3.48Å; S287-K490 PolarHBondContact N-O 2.99Å; S287-K490 PolarHBondContact OG-O 3.33Å; Y482-K490 HydrophobicContact CD2-CG 4.47Å; Y482-K490 HydrophobicContact CE1-CD 4.37Å; Y482-K490 HydrophobicContact CE2-CG 4.03Å; Y482-K490 WeakPolarHBondContact O-CE 3.33Å; Y482-K490 PolarHBondContact O-NZ 2.86Å; A485-K490 HydrophobicContact CB-CG 4.49Å; A485-K490 WeakPolarHBondContact O-CE 3.34Å; A485-K490 PolarHBondContact O-NZ 3.03Å; P486-K490 PolarHBondContact O-N 3.07Å; D487-K490 PolarHBondContact O-N 3.29Å
491	Q	97.4	Very high	94.4	Very high	57 Å²	57	32.6 Å²	32.6	27%	0.266	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-93.3	111.3	-176.2	-63.6	-61.9	-32.9	0	0	109	A258 T285 D487	A258-Q491 HydrophobicContact CB-CB 4.22Å; A258-Q491 WeakPolarHBondContact CB-O 3.5Å; A258-Q491 PolarHBondContact N-O 2.8Å; T285-Q491 WeakPolarHBondContact O-CA 3.4Å; T285-Q491 PolarHBondContact O-OE1 3.17Å; D487-Q491 HydrophobicContact CB-CG 4.08Å; D487-Q491 WeakPolarHBondContact O-CB 3.5Å; D487-Q491 PolarHBondContact O-N 2.84Å
492	V	97.9	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.			trans	-111	148.5	-174	-69.9	0	0	0	0	111.2	T285 L463 H466	T285-V492 WeakPolarHBondContact CB-O 3.39Å; T285-V492 HydrophobicContact CG2-CG2 4.13Å; T285-V492 WeakPolarHBondContact O-CG2 3.31Å; T285-V492 PolarHBondContact O-N 2.86Å; L463-V492 HydrophobicContact CD1-CG2 4.11Å; H466-V492 VanDerWaalsContact CA-CG1 3.41Å
493	P	97.1	Very high	94.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.			trans	-70.1	133.3	171.2	31	-34.7	0	0	0	110	S256 F261 Y281 Y462 S464	S256-P493 WeakPolarHBondContact O-CD 3.45Å; F261-P493 HydrophobicContact CD1-CB 3.88Å; F261-P493 HydrophobicContact CD2-CB 3.96Å; F261-P493 HydrophobicContact CD2-CG 4.11Å; F261-P493 HydrophobicContact CE1-CB 3.68Å; F261-P493 HydrophobicContact CE1-CG 4.12Å; F261-P493 HydrophobicContact CE2-CB 3.79Å; F261-P493 HydrophobicContact CE2-CG 3.54Å; F261-P493 HydrophobicContact CG-CB 4.02Å; F261-P493 HydrophobicContact CZ-CB 3.65Å; F261-P493 HydrophobicContact CZ-CG 3.54Å; Y281-P493 HydrophobicContact CE2-CB 3.95Å; Y462-P493 HydrophobicContact CE1-CB 4.04Å; Y462-P493 HydrophobicContact CE1-CG 3.73Å; S464-P493 PolarHBondContact N-O 2.66Å
494	M	98	Very high	94.5	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.8	166	-179.8	174.8	69.7	0	0	109.6	Y281 F282 T285 Y462 L463 Y522 I548	Y281-M494 WeakPolarHBondContact CD2-O 3.47Å; F282-M494 HydrophobicContact CB-CB 4.05Å; F282-M494 HydrophobicContact CB-CE 3.56Å; F282-M494 HydrophobicContact CB-CG 4.47Å; F282-M494 HydrophobicContact CD1-CE 3.67Å; F282-M494 HydrophobicContact CD2-CB 4.46Å; F282-M494 HydrophobicContact CD2-CE 3.74Å; F282-M494 HydrophobicContact CD2-CG 4.11Å; F282-M494 HydrophobicContact CE1-CE 4.29Å; F282-M494 HydrophobicContact CE2-CE 4.34Å; F282-M494 HydrophobicContact CG-CE 3.37Å; F282-M494 HydrophobicContact CG-CG 4.5Å; F282-M494 PolarHBondContact N-O 3.48Å; T285-M494 HydrophobicContact CG2-CB 3.94Å; T285-M494 HydrophobicContact CG2-CE 4.17Å; T285-M494 HydrophobicContact CG2-SD 4.16Å; Y462-M494 CarbonylContact O-C 3.56Å; Y462-M494 WeakPolarHBondContact O-CA 3.32Å; L463-M494 HydrophobicContact CD1-CB 3.68Å; L463-M494 HydrophobicContact CD1-CG 3.95Å; L463-M494 HydrophobicContact CD1-SD 4.16Å; M494-Y522 HydrophobicContact CE-CD1 4.46Å; M494-Y522 HydrophobicContact CE-CG 4.02Å; M494-I548 HydrophobicContact CE-CD1 3.46Å; M494-I548 VanDerWaalsContact CE-CD1 3.46Å; M494-I548 HydrophobicContact SD-CD1 3.86Å
495	L	96.8	Very high	94.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.8	-174.5	-74.1	162.1	0	0	0	109	F261 L263 L274 V279 V280 Y281 V461 Y462	F261-L495 HydrophobicContact CE1-CD1 4.21Å; L263-L495 HydrophobicContact CD1-CD2 3.78Å; L274-L495 HydrophobicContact CD1-CD1 3.78Å; V279-L495 HydrophobicContact CB-CD2 4.13Å; V279-L495 HydrophobicContact CG2-CD2 3.61Å; V280-L495 CarbonylContact O-C 3.57Å; V280-L495 WeakPolarHBondContact O-CA 3.5Å; Y281-L495 HydrophobicContact CD2-CD2 3.55Å; Y281-L495 HydrophobicContact CD2-CG 3.93Å; Y281-L495 HydrophobicContact CG-CD2 4.15Å; V461-L495 CarbonylContact C-O 3.58Å; V461-L495 WeakPolarHBondContact CA-O 3.38Å; Y462-L495 HydrophobicContact CD1-CB 4.21Å; Y462-L495 HydrophobicContact CD1-CD1 3.57Å; Y462-L495 HydrophobicContact CD1-CG 4.16Å; Y462-L495 HydrophobicContact CE1-CD1 4.17Å; Y462-L495 HydrophobicContact CG-CD1 4.18Å; Y462-L495 PolarHBondContact N-O 3.06Å; Y462-L495 PolarHBondContact O-N 3.08Å
496	L	97.8	Very high	93.9	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.6	172.9	-179.5	73.6	0	0	0	109.4	V280 F282 L460 V461 L498 L513 L534 L549	V280-L496 HydrophobicContact CB-CB 4.37Å; V280-L496 PolarHBondContact N-O 2.89Å; V280-L496 PolarHBondContact O-N 3.36Å; F282-L496 HydrophobicContact CE2-CB 3.75Å; F282-L496 HydrophobicContact CZ-CB 4.44Å; L460-L496 WeakPolarHBondContact O-CA 3.48Å; V461-L496 HydrophobicContact CG2-CD1 3.76Å; L496-L498 HydrophobicContact CD1-CD2 3.99Å; L496-L498 HydrophobicContact CD2-CD1 4.24Å; L496-L498 HydrophobicContact CD2-CD2 4.33Å; L496-L498 HydrophobicContact CD2-CG 4.2Å; L496-L498 HydrophobicContact CG-CD2 4.12Å; L496-L498 HydrophobicContact CG-CG 4.16Å; L496-L513 HydrophobicContact CD2-CD1 4.05Å; L496-L534 HydrophobicContact CD1-CD1 4.38Å; L496-L549 HydrophobicContact CD2-CD2 3.57Å
497	W	98.1	Very high	93.2	Very high	14 Å²	14	36 Å²	36	5%	0.053	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.9	171.7	178.6	86.2	0	0	0	109.6	D277 V279 I446 L449 K450 S459 L460	D277-W497 VanDerWaalsContact O-CD1 3.26Å; D277-W497 PolarHBondContact O-NE1 2.69Å; V279-W497 HydrophobicContact CG1-CB 4.15Å; V279-W497 HydrophobicContact CG1-CG 4.48Å; I446-W497 HydrophobicContact CD1-CB 4.15Å; I446-W497 HydrophobicContact CD1-CG 4.03Å; I446-W497 HydrophobicContact CG1-CB 4.41Å; I446-W497 HydrophobicContact CG1-CD2 4.26Å; I446-W497 HydrophobicContact CG1-CG 4.18Å; I446-W497 HydrophobicContact CG2-CD2 4.05Å; I446-W497 HydrophobicContact CG2-CG 4.43Å; I446-W497 HydrophobicContact CG2-CH2 4.43Å; I446-W497 HydrophobicContact CG2-CZ2 3.93Å; L449-W497 HydrophobicContact CB-CH2 4.28Å; L449-W497 HydrophobicContact CB-CZ3 3.91Å; L449-W497 HydrophobicContact CD1-CE3 4.28Å; L449-W497 HydrophobicContact CD1-CZ3 3.96Å; K450-W497 HydrophobicContact CG-CH2 4.04Å; K450-W497 HydrophobicContact CG-CZ2 3.9Å; S459-W497 CarbonylContact C-O 3.5Å; S459-W497 VanDerWaalsContact CA-O 3.31Å; S459-W497 WeakPolarHBondContact CA-O 3.39Å; L460-W497 HydrophobicContact CB-CB 4.27Å; L460-W497 HydrophobicContact CB-CE3 4.2Å; L460-W497 PolarHBondContact N-O 3.12Å; L460-W497 PolarHBondContact O-N 3.05Å
498	L	97.1	Very high	92.7	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.3	177.7	-57	179.2	0	0	0	108.3	L496 Y502 Q503 V508 L513 L534 L549	L496-L498 HydrophobicContact CD1-CD2 3.99Å; L496-L498 HydrophobicContact CD2-CD1 4.24Å; L496-L498 HydrophobicContact CD2-CD2 4.33Å; L496-L498 HydrophobicContact CD2-CG 4.2Å; L496-L498 HydrophobicContact CG-CD2 4.12Å; L496-L498 HydrophobicContact CG-CG 4.16Å; L498-Y502 HydrophobicContact CB-CD1 4.27Å; L498-Y502 HydrophobicContact CD1-CD1 4.12Å; L498-Y502 HydrophobicContact CD1-CE1 4.39Å; L498-Y502 HydrophobicContact CD2-CD1 3.91Å; L498-Y502 HydrophobicContact CD2-CE1 4.08Å; L498-Y502 HydrophobicContact CD2-CG 4.35Å; L498-Y502 HydrophobicContact CG-CD1 4.33Å; L498-Q503 HydrophobicContact CB-CG 3.83Å; L498-Q503 HydrophobicContact CD1-CG 4.43Å; L498-Q503 PolarHBondContact O-NE2 2.9Å; L498-V508 HydrophobicContact CD1-CB 4.29Å; L498-V508 HydrophobicContact CD1-CG1 3.78Å; L498-L513 HydrophobicContact CD1-CD1 3.7Å; L498-L534 HydrophobicContact CD2-CD2 3.86Å; L498-L549 HydrophobicContact CD1-CD2 3.97Å
499	S	95.8	Very high	92.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.014	15%	0.15	C	C	.	.			trans	-57.7	152.4	171.3	59.1	0	0	0	0	111.4	T458 D501 Y502 Q503	T458-S499 PolarHBondContact N-OG 3.08Å; T458-S499 VanDerWaalsContact O-CB 3.25Å; T458-S499 WeakPolarHBondContact O-CB 3.33Å; T458-S499 PolarHBondContact O-N 3.45Å; T458-S499 PolarHBondContact O-OG 3.35Å; S499-D501 PolarHBondContact O-N 3.1Å; S499-Y502 WeakPolarHBondContact O-CB 3.38Å; S499-Y502 PolarHBondContact O-N 3.4Å; S499-Y502 WeakPolarHBondContact OG-CB 3.16Å; S499-Y502 PolarHBondContact OG-N 3.43Å; S499-Q503 WeakPolarHBondContact O-CG 3.2Å; S499-Q503 PolarHBondContact O-N 3.24Å
500	E	93.1	Very high	92	Very high	127 Å²	127	33.6 Å²	33.6	59%	0.593	15%	0.154	S	C	*	.	H	α-helix	trans	-55.9	-34.7	175.3	-73.1	-166.6	-165	0	0	112.4	K504	E500-K504 WeakPolarHBondContact O-CB 3.36Å; E500-K504 VanDerWaalsContact O-CG 3.28Å; E500-K504 WeakPolarHBondContact O-CG 3.47Å; E500-K504 PolarHBondContact O-N 3.05Å; E500-K504 IonicContact OE2-NZ 2.8Å; E500-K504 PolarHBondContact OE2-NZ 2.93Å
501	D	91.5	Very high	91.6	Very high	39 Å²	39	38.3 Å²	38.3	21%	0.209	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-44.5	175.8	-176.2	58.4	0	0	0	111.3	R244 T457 S499 K504 R505	R244-D501 IonicContact NH1-OD1 3.77Å; R244-D501 IonicContact NH1-OD2 3.54Å; T457-D501 WeakPolarHBondContact CB-OD2 3.46Å; T457-D501 WeakPolarHBondContact CG2-OD2 3.34Å; T457-D501 PolarHBondContact OG1-OD2 2.75Å; S499-D501 PolarHBondContact O-N 3.1Å; D501-K504 PolarHBondContact O-N 2.91Å; D501-R505 WeakPolarHBondContact O-CB 3.43Å; D501-R505 PolarHBondContact O-N 3.47Å; D501-R505 IonicContact OD1-CZ 2.73Å; D501-R505 IonicContact OD1-NE 2.98Å; D501-R505 IonicContact OD1-NH2 3.2Å; D501-R505 PolarHBondContact OD1-NH2 2.87Å; D501-R505 IonicContact OD2-CZ 3.3Å; D501-R505 IonicContact OD2-NH1 3.62Å; D501-R505 IonicContact OD2-NH2 3.8Å; D501-R505 PolarHBondContact OD2-NH2 3.26Å
502	Y	92.3	Very high	91.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-49.2	175	-168.5	-72.8	0	0	0	111	M239 T457 L498 S499 K504 R505 Y506 V508 L534 L549 R553	M239-Y502 HydrophobicContact CE-CE2 4.38Å; T457-Y502 HydrophobicContact CG2-CD2 3.86Å; T457-Y502 HydrophobicContact CG2-CG 4.21Å; L498-Y502 HydrophobicContact CB-CD1 4.27Å; L498-Y502 HydrophobicContact CD1-CD1 4.12Å; L498-Y502 HydrophobicContact CD1-CE1 4.39Å; L498-Y502 HydrophobicContact CD2-CD1 3.91Å; L498-Y502 HydrophobicContact CD2-CE1 4.08Å; L498-Y502 HydrophobicContact CD2-CG 4.35Å; L498-Y502 HydrophobicContact CG-CD1 4.33Å; S499-Y502 WeakPolarHBondContact O-CB 3.38Å; S499-Y502 PolarHBondContact O-N 3.4Å; S499-Y502 WeakPolarHBondContact OG-CB 3.16Å; S499-Y502 PolarHBondContact OG-N 3.43Å; Y502-K504 PolarHBondContact O-N 3.02Å; Y502-R505 PolarHBondContact O-N 2.87Å; Y502-Y506 AromaticContact CD1-CD2 3.83Å; Y502-Y506 HydrophobicContact CD1-CD2 3.83Å; Y502-Y506 AromaticContact CD2-CD2 3.7Å; Y502-Y506 HydrophobicContact CD2-CD2 3.7Å; Y502-Y506 AromaticContact CD2-CE2 3.75Å; Y502-Y506 HydrophobicContact CD2-CE2 3.75Å; Y502-Y506 AromaticContact CE1-CD2 3.73Å; Y502-Y506 HydrophobicContact CE1-CD2 3.73Å; Y502-Y506 HydrophobicContact CE1-CG 4.45Å; Y502-Y506 AromaticContact CE2-CD2 3.59Å; Y502-Y506 HydrophobicContact CE2-CD2 3.59Å; Y502-Y506 AromaticContact CE2-CE2 3.68Å; Y502-Y506 HydrophobicContact CE2-CE2 3.68Å; Y502-Y506 AromaticContact CG-CD2 3.78Å; Y502-Y506 HydrophobicContact CG-CD2 3.78Å; Y502-Y506 HydrophobicContact CG-CE2 4.23Å; Y502-Y506 AromaticContact CZ-CD2 3.57Å; Y502-Y506 PolarHBondContact O-N 2.92Å; Y502-V508 HydrophobicContact CD1-CG2 4.39Å; Y502-V508 HydrophobicContact CE1-CG2 4.02Å; Y502-L534 HydrophobicContact CE1-CD2 4.41Å; Y502-L534 HydrophobicContact CE2-CD2 4.22Å; Y502-L534 WeakPolarHBondContact OH-CA 3.4Å; Y502-L534 PolarHBondContact OH-O 2.71Å; Y502-L534 VanDerWaalsContact OH-O 3.07Å; Y502-L549 HydrophobicContact CE1-CD1 4.33Å; Y502-R553 PolarHBondContact OH-NH2 3.34Å; Y502-R553 VanDerWaalsContact OH-NH2 3.08Å
503	Q	90.5	Very high	90.8	Very high	37 Å²	37	37.2 Å²	37.2	17%	0.173	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-48.9	-179.6	-65.6	173.4	35.8	0	0	111.7	L498 S499 Q507 V508	L498-Q503 HydrophobicContact CB-CG 3.83Å; L498-Q503 HydrophobicContact CD1-CG 4.43Å; L498-Q503 PolarHBondContact O-NE2 2.9Å; S499-Q503 WeakPolarHBondContact O-CG 3.2Å; S499-Q503 PolarHBondContact O-N 3.24Å; Q503-Q507 CarbonylContact O-C 3.57Å; Q503-Q507 VanDerWaalsContact O-CA 3.23Å; Q503-Q507 WeakPolarHBondContact O-CA 3.49Å; Q503-Q507 PolarHBondContact O-N 3.23Å; Q503-V508 PolarHBondContact O-N 3.34Å
504	K	85.4	Confident	90.6	Very high	145 Å²	145	40.5 Å²	40.5	63%	0.63	19%	0.194	S	C	*	.	H	α-helix	trans	-69	-46.4	-179.1	-70.5	169.5	-167.3	161.6	0	111.6	E500 D501 Y502 Q507	E500-K504 WeakPolarHBondContact O-CB 3.36Å; E500-K504 VanDerWaalsContact O-CG 3.28Å; E500-K504 WeakPolarHBondContact O-CG 3.47Å; E500-K504 PolarHBondContact O-N 3.05Å; E500-K504 IonicContact OE2-NZ 2.8Å; E500-K504 PolarHBondContact OE2-NZ 2.93Å; D501-K504 PolarHBondContact O-N 2.91Å; Y502-K504 PolarHBondContact O-N 3.02Å; K504-Q507 PolarHBondContact O-N 3.43Å
505	R	82.1	Confident	90.2	Very high	62 Å²	62	47.4 Å²	47.4	23%	0.234	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-46.5	-174.7	-173.6	172.9	-60.3	153.5	16.3	112.3	T457 D501 Y502 Q507	T457-R505 VanDerWaalsContact OG1-CZ 3.31Å; T457-R505 PolarHBondContact OG1-NH1 3.02Å; T457-R505 PolarHBondContact OG1-NH2 3.24Å; D501-R505 WeakPolarHBondContact O-CB 3.43Å; D501-R505 PolarHBondContact O-N 3.47Å; D501-R505 IonicContact OD1-CZ 2.73Å; D501-R505 IonicContact OD1-NE 2.98Å; D501-R505 IonicContact OD1-NH2 3.2Å; D501-R505 PolarHBondContact OD1-NH2 2.87Å; D501-R505 IonicContact OD2-CZ 3.3Å; D501-R505 IonicContact OD2-NH1 3.62Å; D501-R505 IonicContact OD2-NH2 3.8Å; D501-R505 PolarHBondContact OD2-NH2 3.26Å; Y502-R505 PolarHBondContact O-N 2.87Å; R505-Q507 VanDerWaalsContact C-N 3.32Å
506	Y	83.4	Confident	89.8	Confident	23 Å²	23	49.6 Å²	49.6	9%	0.09	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	11	-178.3	-53.4	-53.4	0	0	0	112.9	M239 N246 T457 Y502 V508	M239-Y506 HydrophobicContact CB-CE1 4.37Å; M239-Y506 HydrophobicContact CE-CD1 3.85Å; M239-Y506 HydrophobicContact CE-CD2 3.7Å; M239-Y506 HydrophobicContact CE-CE1 3.56Å; M239-Y506 HydrophobicContact CE-CE2 3.35Å; M239-Y506 HydrophobicContact CE-CG 3.93Å; M239-Y506 HydrophobicContact CG-CD1 4.18Å; M239-Y506 HydrophobicContact CG-CE1 3.59Å; M239-Y506 HydrophobicContact SD-CE1 4.29Å; N246-Y506 VanDerWaalsContact CG-OH 3.28Å; N246-Y506 PolarHBondContact ND2-OH 2.93Å; N246-Y506 VanDerWaalsContact ND2-OH 3.09Å; N246-Y506 PolarHBondContact OD1-OH 3.22Å; T457-Y506 HydrophobicContact CG2-CE2 3.86Å; Y502-Y506 AromaticContact CD1-CD2 3.83Å; Y502-Y506 HydrophobicContact CD1-CD2 3.83Å; Y502-Y506 AromaticContact CD2-CD2 3.7Å; Y502-Y506 HydrophobicContact CD2-CD2 3.7Å; Y502-Y506 AromaticContact CD2-CE2 3.75Å; Y502-Y506 HydrophobicContact CD2-CE2 3.75Å; Y502-Y506 AromaticContact CE1-CD2 3.73Å; Y502-Y506 HydrophobicContact CE1-CD2 3.73Å; Y502-Y506 HydrophobicContact CE1-CG 4.45Å; Y502-Y506 AromaticContact CE2-CD2 3.59Å; Y502-Y506 HydrophobicContact CE2-CD2 3.59Å; Y502-Y506 AromaticContact CE2-CE2 3.68Å; Y502-Y506 HydrophobicContact CE2-CE2 3.68Å; Y502-Y506 AromaticContact CG-CD2 3.78Å; Y502-Y506 HydrophobicContact CG-CD2 3.78Å; Y502-Y506 HydrophobicContact CG-CE2 4.23Å; Y502-Y506 AromaticContact CZ-CD2 3.57Å; Y502-Y506 PolarHBondContact O-N 2.92Å; Y506-V508 VanDerWaalsContact C-N 3.27Å; Y506-V508 PolarHBondContact O-N 2.97Å
507	Q	79.8	Confident	89.6	Confident	78 Å²	78	49.2 Å²	49.2	36%	0.364	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	44.3	175.3	-53.6	-174.2	-1.2	0	0	113.5	Q503 K504 R505 R554	Q503-Q507 CarbonylContact O-C 3.57Å; Q503-Q507 VanDerWaalsContact O-CA 3.23Å; Q503-Q507 WeakPolarHBondContact O-CA 3.49Å; Q503-Q507 PolarHBondContact O-N 3.23Å; K504-Q507 PolarHBondContact O-N 3.43Å; R505-Q507 VanDerWaalsContact C-N 3.32Å; Q507-R554 HydrophobicContact CB-CB 4.04Å; Q507-R554 PolarHBondContact O-N 2.94Å; Q507-R554 PolarHBondContact OE1-O 3.34Å
508	V	85.4	Confident	89.2	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.042	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-89.6	119.2	175.6	-176.1	0	0	0	0	108.8	L498 Y502 Q503 Y506 Q510 L513 L549 R553	L498-V508 HydrophobicContact CD1-CB 4.29Å; L498-V508 HydrophobicContact CD1-CG1 3.78Å; Y502-V508 HydrophobicContact CD1-CG2 4.39Å; Y502-V508 HydrophobicContact CE1-CG2 4.02Å; Q503-V508 PolarHBondContact O-N 3.34Å; Y506-V508 VanDerWaalsContact C-N 3.27Å; Y506-V508 PolarHBondContact O-N 2.97Å; V508-Q510 PolarHBondContact O-N 3.41Å; V508-L513 HydrophobicContact CG1-CD1 3.47Å; V508-L513 VanDerWaalsContact CG1-CD1 3.47Å; V508-L513 HydrophobicContact CG1-CG 4.07Å; V508-L549 HydrophobicContact CG1-CD2 4.26Å; V508-R553 HydrophobicContact CG2-CG 3.8Å
509	D	85.3	Confident	88.7	Confident	44 Å²	44	56.4 Å²	56.4	24%	0.235	27%	0.272	C	S	.	.			trans	-81.8	108	179.2	-167.8	103.4	0	0	0	110.8	N511 C512 L513 C552 R554	D509-N511 VanDerWaalsContact C-N 3.3Å; D509-N511 PolarHBondContact O-N 2.88Å; D509-N511 WeakPolarHBondContact OD2-CB 3.43Å; D509-N511 PolarHBondContact OD2-N 2.96Å; D509-C512 HydrophobicContact CB-CB 3.87Å; D509-C512 WeakPolarHBondContact O-CB 3.47Å; D509-C512 PolarHBondContact O-N 3Å; D509-C512 PolarHBondContact OD2-N 3.38Å; D509-L513 PolarHBondContact O-N 2.78Å; D509-C552 PolarHBondContact N-O 2.98Å; D509-R554 IonicContact OD1-CZ 3.42Å; D509-R554 IonicContact OD1-NH2 3.32Å; D509-R554 PolarHBondContact OD1-NH2 2.89Å
510	Q	90.2	Very high	88.4	Confident	21 Å²	21	60.7 Å²	60.7	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-36	-178.9	-172.7	73.2	2	0	0	112.8	N278 V508 L513 Q514	N278-Q510 PolarHBondContact O-NE2 3.16Å; V508-Q510 PolarHBondContact O-N 3.41Å; Q510-L513 PolarHBondContact O-N 3.25Å; Q510-Q514 PolarHBondContact O-N 2.78Å
511	N	89.7	Confident	88.4	Confident	131 Å²	131	62 Å²	62	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-70.3	-38.2	-179.9	-68.7	-35	0	0	0	111.2	D509 Q514 K515	D509-N511 VanDerWaalsContact C-N 3.3Å; D509-N511 PolarHBondContact O-N 2.88Å; D509-N511 WeakPolarHBondContact OD2-CB 3.43Å; D509-N511 PolarHBondContact OD2-N 2.96Å; N511-Q514 PolarHBondContact O-N 2.8Å; N511-K515 WeakPolarHBondContact O-CB 3.3Å; N511-K515 PolarHBondContact O-N 2.99Å
512	C	86.4	Confident	88.6	Confident	33 Å²	33	61.4 Å²	61.4	22%	0.223	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-50.3	169.2	174.5	0	0	0	0	110.6	D509 Q514 K515 Q516 C552	D509-C512 HydrophobicContact CB-CB 3.87Å; D509-C512 WeakPolarHBondContact O-CB 3.47Å; D509-C512 PolarHBondContact O-N 3Å; D509-C512 PolarHBondContact OD2-N 3.38Å; C512-Q514 PolarHBondContact O-N 2.92Å; C512-K515 PolarHBondContact O-N 3.48Å; C512-Q516 WeakPolarHBondContact O-CB 3.04Å; C512-Q516 VanDerWaalsContact O-CG 3.29Å; C512-Q516 WeakPolarHBondContact O-CG 3.34Å; C512-Q516 PolarHBondContact O-N 3Å; C512-C552 HydrophobicContact CB-CB 3.66Å; C512-C552 WeakPolarHBondContact CB-SG 3.46Å; C512-C552 WeakPolarHBondContact SG-CA 3.48Å; C512-C552 WeakPolarHBondContact SG-CB 3.44Å; C512-C552 CovalentContact SG-SG 2.05Å; C512-C552 PolarHBondContact SG-SG 3.4Å
513	L	91.5	Very high	88.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-46.7	179.4	-75.3	178.2	0	0	0	111.7	V280 L496 L498 V508 D509 Q510 K515 Q516 A517 I548 L549 C552	V280-L513 HydrophobicContact CG1-CB 4.32Å; V280-L513 HydrophobicContact CG2-CB 4.13Å; L496-L513 HydrophobicContact CD2-CD1 4.05Å; L498-L513 HydrophobicContact CD1-CD1 3.7Å; V508-L513 HydrophobicContact CG1-CD1 3.47Å; V508-L513 VanDerWaalsContact CG1-CD1 3.47Å; V508-L513 HydrophobicContact CG1-CG 4.07Å; D509-L513 PolarHBondContact O-N 2.78Å; Q510-L513 PolarHBondContact O-N 3.25Å; L513-K515 VanDerWaalsContact C-N 3.31Å; L513-K515 PolarHBondContact O-N 3.19Å; L513-Q516 PolarHBondContact O-N 3.36Å; L513-A517 VanDerWaalsContact O-CB 3.3Å; L513-A517 WeakPolarHBondContact O-CB 3.31Å; L513-A517 PolarHBondContact O-N 3.2Å; L513-I548 HydrophobicContact CD2-CG2 4.24Å; L513-I548 WeakPolarHBondContact CD2-O 3.34Å; L513-L549 HydrophobicContact CD1-CD2 3.99Å; L513-L549 HydrophobicContact CD2-CD2 4.15Å; L513-C552 HydrophobicContact CD2-CB 3.82Å; L513-C552 HydrophobicContact CG-CB 3.86Å; L513-C552 PolarHBondContact N-SG 3.49Å
514	Q	92.5	Very high	89.2	Confident	70 Å²	70	60.9 Å²	60.9	33%	0.327	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-42	177.9	-168	66	26.7	0	0	112	Q510 N511 C512 Q518	Q510-Q514 PolarHBondContact O-N 2.78Å; N511-Q514 PolarHBondContact O-N 2.8Å; C512-Q514 PolarHBondContact O-N 2.92Å; Q514-Q518 WeakPolarHBondContact O-CG 3.4Å; Q514-Q518 PolarHBondContact O-N 3.44Å
515	K	89.6	Confident	89.7	Confident	150 Å²	150	55.8 Å²	55.8	65%	0.652	27%	0.273	S	S	*	.	H	α-helix	trans	-66.7	-44.1	177.6	-174	-178.4	179.4	-175.7	0	111.7	N511 C512 L513 Q518 T519	N511-K515 WeakPolarHBondContact O-CB 3.3Å; N511-K515 PolarHBondContact O-N 2.99Å; C512-K515 PolarHBondContact O-N 3.48Å; L513-K515 VanDerWaalsContact C-N 3.31Å; L513-K515 PolarHBondContact O-N 3.19Å; K515-Q518 PolarHBondContact O-N 3.37Å; K515-T519 WeakPolarHBondContact O-CB 3.4Å; K515-T519 WeakPolarHBondContact O-CG2 2.93Å; K515-T519 PolarHBondContact O-N 2.79Å; K515-T519 PolarHBondContact O-OG1 3.32Å
516	Q	88.5	Confident	90.4	Very high	47 Å²	47	53.6 Å²	53.6	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-42	178.8	-71.2	-66.6	-7.9	0	0	111.2	C512 L513 Q518 T519 Q520 Y522	C512-Q516 WeakPolarHBondContact O-CB 3.04Å; C512-Q516 VanDerWaalsContact O-CG 3.29Å; C512-Q516 WeakPolarHBondContact O-CG 3.34Å; C512-Q516 PolarHBondContact O-N 3Å; L513-Q516 PolarHBondContact O-N 3.36Å; Q516-Q518 VanDerWaalsContact C-N 3.26Å; Q516-Q518 PolarHBondContact O-N 3.04Å; Q516-T519 PolarHBondContact O-N 2.81Å; Q516-Q520 WeakPolarHBondContact O-CB 3.38Å; Q516-Q520 PolarHBondContact O-N 2.91Å; Q516-Y522 WeakPolarHBondContact CB-OH 3.48Å
517	A	93.7	Very high	91	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-39	177.6	0	0	0	0	0	112.7	V280 Y281 F282 P283 L513	V280-A517 HydrophobicContact CG1-CB 3.55Å; Y281-A517 WeakPolarHBondContact O-CB 3.38Å; F282-A517 HydrophobicContact CD1-CB 3.43Å; F282-A517 VanDerWaalsContact CD1-CB 3.43Å; F282-A517 HydrophobicContact CD2-CB 4.42Å; F282-A517 HydrophobicContact CE1-CB 3.5Å; F282-A517 HydrophobicContact CE2-CB 4.47Å; F282-A517 HydrophobicContact CG-CB 3.91Å; F282-A517 HydrophobicContact CZ-CB 4.04Å; P283-A517 WeakPolarHBondContact CD-O 3.29Å; L513-A517 VanDerWaalsContact O-CB 3.3Å; L513-A517 WeakPolarHBondContact O-CB 3.31Å; L513-A517 PolarHBondContact O-N 3.2Å
518	Q	90	Very high	91.9	Very high	89 Å²	89	49.3 Å²	49.3	42%	0.416	25%	0.246	S	C	.	.	H	α-helix	trans	-82.3	-17.1	-179	-64.2	-63.6	-45	0	0	114.3	Y281 Q514 K515 Q516	Y281-Q518 PolarHBondContact O-NE2 3.34Å; Q514-Q518 WeakPolarHBondContact O-CG 3.4Å; Q514-Q518 PolarHBondContact O-N 3.44Å; K515-Q518 PolarHBondContact O-N 3.37Å; Q516-Q518 VanDerWaalsContact C-N 3.26Å; Q516-Q518 PolarHBondContact O-N 3.04Å
519	T	86.9	Confident	92.2	Very high	80 Å²	80	49 Å²	49	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-114.5	-21.4	-170.7	54.2	0	0	0	0	114.5	K515 Q516	K515-T519 WeakPolarHBondContact O-CB 3.4Å; K515-T519 WeakPolarHBondContact O-CG2 2.93Å; K515-T519 PolarHBondContact O-N 2.79Å; K515-T519 PolarHBondContact O-OG1 3.32Å; Q516-T519 PolarHBondContact O-N 2.81Å
520	Q	88.6	Confident	92.7	Very high	92 Å²	92	47.1 Å²	47.1	43%	0.43	24%	0.235	S	C	.	.	S	Bend	trans	-102.5	161.5	-179.2	-59.1	-58.3	-40.1	0	0	112	Q516 Y522	Q516-Q520 WeakPolarHBondContact O-CB 3.38Å; Q516-Q520 PolarHBondContact O-N 2.91Å; Q520-Y522 HydrophobicContact CB-CD2 4.3Å; Q520-Y522 HydrophobicContact CB-CE2 3.57Å
521	H	92.6	Very high	93	Very high	153 Å²	153	46.1 Å²	46.1	71%	0.708	23%	0.23	S	C	*	.			trans	-99.2	128.9	169.2	-68.9	-89.4	0	0	0	108.9
522	Y	96	Very high	93.2	Very high	27 Å²	27	39.9 Å²	39.9	11%	0.106	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	171.1	178	-65.4	-83.6	0	0	0	110.5	F282 N284 T285 A286 M494 Q516 Q520 I548	F282-Y522 AromaticContact CD1-CD2 3.57Å; F282-Y522 HydrophobicContact CD1-CD2 3.57Å; F282-Y522 AromaticContact CD1-CE2 3.48Å; F282-Y522 HydrophobicContact CD1-CE2 3.48Å; F282-Y522 VanDerWaalsContact CD1-CE2 3.48Å; F282-Y522 HydrophobicContact CD1-CG 4.21Å; F282-Y522 HydrophobicContact CE1-CD2 4.3Å; F282-Y522 AromaticContact CE1-CE2 3.85Å; F282-Y522 HydrophobicContact CE1-CE2 3.85Å; F282-Y522 AromaticContact CE1-CZ 3.98Å; F282-Y522 HydrophobicContact CG-CD2 4.48Å; N284-Y522 PolarHBondContact O-N 2.9Å; T285-Y522 WeakPolarHBondContact CA-O 3.21Å; A286-Y522 PolarHBondContact N-O 3.19Å; M494-Y522 HydrophobicContact CE-CD1 4.46Å; M494-Y522 HydrophobicContact CE-CG 4.02Å; Q516-Y522 WeakPolarHBondContact CB-OH 3.48Å; Q520-Y522 HydrophobicContact CB-CD2 4.3Å; Q520-Y522 HydrophobicContact CB-CE2 3.57Å; Y522-I548 HydrophobicContact CD1-CD1 4.21Å; Y522-I548 HydrophobicContact CD1-CG1 3.88Å; Y522-I548 HydrophobicContact CE1-CB 4.49Å; Y522-I548 HydrophobicContact CE1-CD1 4.48Å; Y522-I548 HydrophobicContact CE1-CG1 3.79Å; Y522-I548 HydrophobicContact CE1-CG2 4.3Å
523	S	97.2	Very high	93.2	Very high	25 Å²	25	38.5 Å²	38.5	18%	0.175	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	173.9	171.3	63.7	0	0	0	0	111	A286 D525 N526	A286-S523 CarbonylContact O-C 3.45Å; A286-S523 WeakPolarHBondContact O-CA 3.3Å; A286-S523 WeakPolarHBondContact O-CB 3.35Å; S523-D525 PolarHBondContact O-N 2.75Å; S523-D525 VanDerWaalsContact O-N 3.15Å; S523-D525 VanDerWaalsContact OG-CB 3.31Å; S523-D525 WeakPolarHBondContact OG-CB 3.24Å; S523-D525 PolarHBondContact OG-N 3.2Å; S523-N526 PolarHBondContact N-OD1 3.48Å; S523-N526 WeakPolarHBondContact O-CB 3.32Å; S523-N526 PolarHBondContact O-N 3.35Å; S523-N526 PolarHBondContact O-OD1 3.02Å; S523-N526 VanDerWaalsContact O-OD1 3.06Å
524	Q	98	Very high	93.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.9	170	-81.6	172	-3	0	0	113.8	A286 M299 L463 S464 D465 N526 L527	A286-Q524 PolarHBondContact O-N 2.81Å; M299-Q524 HydrophobicContact CB-CB 3.81Å; M299-Q524 HydrophobicContact CB-CG 4.02Å; M299-Q524 HydrophobicContact CE-CG 4.28Å; L463-Q524 HydrophobicContact CD1-CG 4.27Å; L463-Q524 HydrophobicContact CD2-CG 3.77Å; L463-Q524 HydrophobicContact CG-CG 4.22Å; S464-Q524 PolarHBondContact O-NE2 3.06Å; D465-Q524 VanDerWaalsContact C-NE2 3.34Å; D465-Q524 PolarHBondContact O-NE2 2.94Å; Q524-N526 PolarHBondContact O-N 3.28Å; Q524-N526 VanDerWaalsContact O-N 3.12Å; Q524-L527 WeakPolarHBondContact O-CB 3.39Å; Q524-L527 PolarHBondContact O-N 3.31Å
525	D	96.2	Very high	93.3	Very high	39 Å²	39	35.3 Å²	35.3	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-56.7	-26.6	174.1	-57.2	-10.3	0	0	0	112.2	P304 R305 S523 L527	P304-D525 VanDerWaalsContact CA-CG 3.47Å; P304-D525 WeakPolarHBondContact CA-OD2 3.37Å; P304-D525 HydrophobicContact CB-CB 4.39Å; P304-D525 WeakPolarHBondContact CB-OD2 3.39Å; R305-D525 VanDerWaalsContact N-CG 3.33Å; R305-D525 PolarHBondContact N-OD1 2.82Å; R305-D525 PolarHBondContact N-OD2 3.19Å; R305-D525 VanDerWaalsContact N-OD2 3.08Å; S523-D525 PolarHBondContact O-N 2.75Å; S523-D525 VanDerWaalsContact O-N 3.15Å; S523-D525 VanDerWaalsContact OG-CB 3.31Å; S523-D525 WeakPolarHBondContact OG-CB 3.24Å; S523-D525 PolarHBondContact OG-N 3.2Å; D525-L527 VanDerWaalsContact C-N 3.33Å; D525-L527 PolarHBondContact O-N 3.03Å
526	N	95.9	Very high	93.1	Very high	16 Å²	16	28.5 Å²	28.5	9%	0.086	15%	0.145	C	C	.	.	H	α-helix	trans	-74.9	-19.7	179	-62.9	107.9	0	0	0	113.7	S523 Q524 F528 T530 D546 I548	S523-N526 PolarHBondContact N-OD1 3.48Å; S523-N526 WeakPolarHBondContact O-CB 3.32Å; S523-N526 PolarHBondContact O-N 3.35Å; S523-N526 PolarHBondContact O-OD1 3.02Å; S523-N526 VanDerWaalsContact O-OD1 3.06Å; Q524-N526 PolarHBondContact O-N 3.28Å; Q524-N526 VanDerWaalsContact O-N 3.12Å; N526-F528 PolarHBondContact O-N 3.04Å; N526-T530 WeakPolarHBondContact O-CB 3.35Å; N526-T530 PolarHBondContact O-N 3.45Å; N526-T530 VanDerWaalsContact O-N 3.08Å; N526-T530 PolarHBondContact O-OG1 2.96Å; N526-D546 WeakPolarHBondContact CA-O 3.44Å; N526-D546 WeakPolarHBondContact CB-O 3.37Å; N526-D546 PolarHBondContact ND2-O 3.38Å; N526-I548 HydrophobicContact CB-CD1 3.94Å; N526-I548 HydrophobicContact CB-CG1 3.99Å
527	L	97.9	Very high	93	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-44.1	-173.4	-179.4	66.8	0	0	0	111.5	L250 M299 V461 L463 Q524 D525 T530 L531	L250-L527 HydrophobicContact CD1-CD1 4.03Å; L250-L527 HydrophobicContact CD2-CD2 4.34Å; M299-L527 HydrophobicContact CB-CD2 3.96Å; M299-L527 HydrophobicContact CG-CD2 3.85Å; M299-L527 HydrophobicContact SD-CD2 3.84Å; V461-L527 HydrophobicContact CG1-CD1 4.12Å; L463-L527 HydrophobicContact CD2-CB 4.13Å; L463-L527 HydrophobicContact CD2-CD1 4.27Å; L463-L527 HydrophobicContact CD2-CD2 3.98Å; L463-L527 HydrophobicContact CD2-CG 4.34Å; Q524-L527 WeakPolarHBondContact O-CB 3.39Å; Q524-L527 PolarHBondContact O-N 3.31Å; D525-L527 VanDerWaalsContact C-N 3.33Å; D525-L527 PolarHBondContact O-N 3.03Å; L527-T530 PolarHBondContact O-N 3.28Å; L527-L531 HydrophobicContact CD1-CD1 3.86Å; L527-L531 HydrophobicContact CD1-CD2 4.39Å; L527-L531 HydrophobicContact CD1-CG 3.85Å; L527-L531 HydrophobicContact CD2-CD1 4.3Å; L527-L531 HydrophobicContact CG-CD1 3.79Å; L527-L531 HydrophobicContact CG-CG 4.18Å; L527-L531 WeakPolarHBondContact O-CB 3.37Å; L527-L531 WeakPolarHBondContact O-CG 3.47Å; L527-L531 PolarHBondContact O-N 3.26Å
528	F	97	Very high	92.4	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.022	15%	0.153	C	C	.	.	H	α-helix	trans	-55.4	-58.8	-176.3	-174.4	-82.6	0	0	0	111.9	I229 F300 S301 D302 V319 I322 N526 T530 L531 L532	I229-F528 HydrophobicContact CD1-CE2 4.42Å; I229-F528 HydrophobicContact CD1-CZ 4.23Å; F300-F528 WeakPolarHBondContact O-CD2 3.46Å; S301-F528 WeakPolarHBondContact O-CD2 3.41Å; D302-F528 HydrophobicContact CB-CD1 4.49Å; D302-F528 HydrophobicContact CB-CD2 4.34Å; D302-F528 HydrophobicContact CB-CE1 4.03Å; D302-F528 HydrophobicContact CB-CE2 3.87Å; D302-F528 HydrophobicContact CB-CZ 3.7Å; V319-F528 HydrophobicContact CB-CD2 3.53Å; V319-F528 HydrophobicContact CB-CE2 3.67Å; V319-F528 HydrophobicContact CB-CG 4.16Å; V319-F528 HydrophobicContact CB-CZ 4.4Å; V319-F528 HydrophobicContact CG1-CD2 4.29Å; V319-F528 HydrophobicContact CG2-CD2 4.3Å; V319-F528 HydrophobicContact CG2-CE2 4.46Å; V319-F528 HydrophobicContact CG2-CG 4.49Å; I322-F528 HydrophobicContact CD1-CE2 4.25Å; I322-F528 HydrophobicContact CD1-CZ 3.61Å; N526-F528 PolarHBondContact O-N 3.04Å; F528-T530 PolarHBondContact O-N 2.87Å; F528-L531 PolarHBondContact O-N 3.06Å; F528-L532 HydrophobicContact CD1-CD1 3.96Å; F528-L532 HydrophobicContact CE1-CD1 3.57Å; F528-L532 HydrophobicContact CZ-CD1 4.36Å; F528-L532 WeakPolarHBondContact O-CG 3.4Å; F528-L532 PolarHBondContact O-N 2.94Å
529	S	92.6	Very high	92	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-68.6	-34.7	-179.7	-65.6	0	0	0	0	112.1	L531 L532 G533 Y542 Q543	S529-L531 PolarHBondContact O-N 3.41Å; S529-L532 PolarHBondContact O-N 3.42Å; S529-G533 PolarHBondContact O-N 3.39Å; S529-Y542 WeakPolarHBondContact O-CE2 3.2Å; S529-Q543 WeakPolarHBondContact CB-O 3.42Å; S529-Q543 PolarHBondContact OG-N 3.21Å; S529-Q543 VanDerWaalsContact OG-N 3.13Å; S529-Q543 PolarHBondContact OG-O 3.4Å
530	T	94.9	Very high	91.9	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-37.9	177.3	-58.7	0	0	0	0	112.1	N526 L527 F528 G533 L534 I548 L549	N526-T530 WeakPolarHBondContact O-CB 3.35Å; N526-T530 PolarHBondContact O-N 3.45Å; N526-T530 VanDerWaalsContact O-N 3.08Å; N526-T530 PolarHBondContact O-OG1 2.96Å; L527-T530 PolarHBondContact O-N 3.28Å; F528-T530 PolarHBondContact O-N 2.87Å; T530-G533 PolarHBondContact O-N 3Å; T530-L534 HydrophobicContact CG2-CD1 4.09Å; T530-L534 HydrophobicContact CG2-CG 4.42Å; T530-L534 VanDerWaalsContact O-CB 3.31Å; T530-L534 WeakPolarHBondContact O-CB 3.3Å; T530-L534 VanDerWaalsContact O-CG 3.31Å; T530-L534 WeakPolarHBondContact O-CG 3.23Å; T530-L534 PolarHBondContact O-N 3.34Å; T530-I548 HydrophobicContact CG2-CB 4.24Å; T530-I548 HydrophobicContact CG2-CD1 4.4Å; T530-I548 WeakPolarHBondContact OG1-CG1 3.39Å; T530-I548 PolarHBondContact OG1-N 3.43Å; T530-I548 VanDerWaalsContact OG1-N 3.1Å; T530-L549 HydrophobicContact CG2-CG 4.49Å
531	L	97.5	Very high	91.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.1	-41.6	175.8	-76	174.6	0	0	0	112.3	L250 F300 V319 I323 L527 F528 S529 G533 L534 T535	L250-L531 HydrophobicContact CD2-CD1 3.97Å; L250-L531 HydrophobicContact CD2-CD2 4.46Å; F300-L531 HydrophobicContact CE1-CD1 4.44Å; V319-L531 HydrophobicContact CG1-CD1 3.87Å; V319-L531 HydrophobicContact CG2-CB 3.99Å; V319-L531 HydrophobicContact CG2-CD1 4.49Å; I323-L531 HydrophobicContact CD1-CB 4.19Å; L527-L531 HydrophobicContact CD1-CD1 3.86Å; L527-L531 HydrophobicContact CD1-CD2 4.39Å; L527-L531 HydrophobicContact CD1-CG 3.85Å; L527-L531 HydrophobicContact CD2-CD1 4.3Å; L527-L531 HydrophobicContact CG-CD1 3.79Å; L527-L531 HydrophobicContact CG-CG 4.18Å; L527-L531 WeakPolarHBondContact O-CB 3.37Å; L527-L531 WeakPolarHBondContact O-CG 3.47Å; L527-L531 PolarHBondContact O-N 3.26Å; F528-L531 PolarHBondContact O-N 3.06Å; S529-L531 PolarHBondContact O-N 3.41Å; L531-G533 VanDerWaalsContact C-N 3.32Å; L531-L534 HydrophobicContact CD2-CD1 4.36Å; L531-L534 PolarHBondContact O-N 3.12Å; L531-T535 WeakPolarHBondContact O-CB 3.39Å; L531-T535 WeakPolarHBondContact O-CG2 3.4Å; L531-T535 PolarHBondContact O-N 3.2Å; L531-T535 PolarHBondContact O-OG1 2.99Å
532	L	93.3	Very high	91.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-43.9	172.3	-66.5	177.9	0	0	0	111	V319 I322 I323 F528 S529 T535 G536 V537 T539 Y542	V319-L532 HydrophobicContact CG2-CD2 3.82Å; V319-L532 HydrophobicContact CG2-CG 3.85Å; I322-L532 HydrophobicContact CB-CD2 4.46Å; I322-L532 HydrophobicContact CG2-CD2 3.72Å; I323-L532 HydrophobicContact CG1-CD2 4.09Å; F528-L532 HydrophobicContact CD1-CD1 3.96Å; F528-L532 HydrophobicContact CE1-CD1 3.57Å; F528-L532 HydrophobicContact CZ-CD1 4.36Å; F528-L532 WeakPolarHBondContact O-CG 3.4Å; F528-L532 PolarHBondContact O-N 2.94Å; S529-L532 PolarHBondContact O-N 3.42Å; L532-T535 PolarHBondContact O-N 3.48Å; L532-T535 PolarHBondContact O-OG1 2.99Å; L532-G536 WeakPolarHBondContact O-CA 3.03Å; L532-G536 PolarHBondContact O-N 3.17Å; L532-V537 HydrophobicContact CD2-CB 3.81Å; L532-V537 HydrophobicContact CD2-CG1 3.82Å; L532-V537 PolarHBondContact O-N 3.12Å; L532-T539 HydrophobicContact CD1-CG2 3.88Å; L532-Y542 HydrophobicContact CB-CD2 3.88Å; L532-Y542 HydrophobicContact CD1-CD2 4.37Å
533	G	87.9	Confident	90.8	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-61.1	-46.5	174.7	0	0	0	0	0	112.5	S529 T530 L531 T535 G536 R553	S529-G533 PolarHBondContact O-N 3.39Å; T530-G533 PolarHBondContact O-N 3Å; L531-G533 VanDerWaalsContact C-N 3.32Å; G533-T535 VanDerWaalsContact C-N 3.31Å; G533-T535 PolarHBondContact O-N 3.05Å; G533-G536 PolarHBondContact O-N 3.37Å; G533-R553 PolarHBondContact O-NH1 3.19Å; G533-R553 PolarHBondContact O-NH2 2.96Å
534	L	92.5	Very high	89.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-41.5	179.1	-86.2	166.9	0	0	0	112.5	T248 V461 L496 L498 Y502 T530 L531 L549	T248-L534 HydrophobicContact CG2-CD1 4.38Å; V461-L534 HydrophobicContact CG2-CD1 3.47Å; V461-L534 VanDerWaalsContact CG2-CD1 3.47Å; L496-L534 HydrophobicContact CD1-CD1 4.38Å; L498-L534 HydrophobicContact CD2-CD2 3.86Å; Y502-L534 HydrophobicContact CE1-CD2 4.41Å; Y502-L534 HydrophobicContact CE2-CD2 4.22Å; Y502-L534 WeakPolarHBondContact OH-CA 3.4Å; Y502-L534 PolarHBondContact OH-O 2.71Å; Y502-L534 VanDerWaalsContact OH-O 3.07Å; T530-L534 HydrophobicContact CG2-CD1 4.09Å; T530-L534 HydrophobicContact CG2-CG 4.42Å; T530-L534 VanDerWaalsContact O-CB 3.31Å; T530-L534 WeakPolarHBondContact O-CB 3.3Å; T530-L534 VanDerWaalsContact O-CG 3.31Å; T530-L534 WeakPolarHBondContact O-CG 3.23Å; T530-L534 PolarHBondContact O-N 3.34Å; L531-L534 HydrophobicContact CD2-CD1 4.36Å; L531-L534 PolarHBondContact O-N 3.12Å; L534-L549 HydrophobicContact CD2-CD1 3.59Å; L534-L549 HydrophobicContact CG-CD1 3.74Å
535	T	92	Very high	88.9	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-89.5	-11.6	-176.7	55.7	0	0	0	0	113.9	I323 I328 V386 L531 L532 G533 V537	I323-T535 HydrophobicContact CD1-CG2 4.16Å; I323-T535 HydrophobicContact CG2-CG2 4.49Å; I328-T535 HydrophobicContact CD1-CG2 4.43Å; V386-T535 HydrophobicContact CG2-CG2 3.39Å; L531-T535 WeakPolarHBondContact O-CB 3.39Å; L531-T535 WeakPolarHBondContact O-CG2 3.4Å; L531-T535 PolarHBondContact O-N 3.2Å; L531-T535 PolarHBondContact O-OG1 2.99Å; L532-T535 PolarHBondContact O-N 3.48Å; L532-T535 PolarHBondContact O-OG1 2.99Å; G533-T535 VanDerWaalsContact C-N 3.31Å; G533-T535 PolarHBondContact O-N 3.05Å; T535-V537 WeakPolarHBondContact OG1-CG2 3.15Å
536	G	85.7	Confident	88.4	Confident	6 Å²	6	33 Å²	33	6%	0.062	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	35.8	-177.5	0	0	0	0	0	113.3	N236 M239 L532 G533	N236-G536 WeakPolarHBondContact CB-O 3.16Å; N236-G536 PolarHBondContact N-O 3.15Å; M239-G536 WeakPolarHBondContact SD-CA 3.39Å; L532-G536 WeakPolarHBondContact O-CA 3.03Å; L532-G536 PolarHBondContact O-N 3.17Å; G533-G536 PolarHBondContact O-N 3.37Å
537	V	87	Confident	88	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.4	176.9	177.5	0	0	0	0	109.3	A233 I322 I323 A326 I328 L532 T535	A233-V537 HydrophobicContact CB-CG1 4.06Å; I322-V537 HydrophobicContact CG2-CG1 3.96Å; I323-V537 HydrophobicContact CG1-CG2 4.29Å; A326-V537 HydrophobicContact CB-CB 4.4Å; A326-V537 HydrophobicContact CB-CG1 3.75Å; A326-V537 HydrophobicContact CB-CG2 3.76Å; I328-V537 HydrophobicContact CD1-CG2 3.6Å; L532-V537 HydrophobicContact CD2-CB 3.81Å; L532-V537 HydrophobicContact CD2-CG1 3.82Å; L532-V537 PolarHBondContact O-N 3.12Å; T535-V537 WeakPolarHBondContact OG1-CG2 3.15Å
538	E	80.7	Confident	87.7	Confident	79 Å²	79	32.6 Å²	32.6	37%	0.369	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.4	178.6	-67.8	-178.1	-170.2	0	0	109.9	A233 H234 N236	A233-E538 VanDerWaalsContact CA-O 3.31Å; A233-E538 WeakPolarHBondContact CA-O 3.33Å; H234-E538 PolarHBondContact N-O 3.16Å; H234-E538 VanDerWaalsContact N-O 3.08Å; H234-E538 IonicContact NE2-OE2 3.59Å; H234-E538 PolarHBondContact O-N 2.8Å; N236-E538 HydrophobicContact CB-CG 4.32Å; N236-E538 WeakPolarHBondContact CB-OE1 3.06Å; N236-E538 PolarHBondContact ND2-OE1 3Å
539	T	82.6	Confident	87.2	Confident	15 Å²	15	32.4 Å²	32.4	9%	0.092	18%	0.175	C	C	.	.			trans	-158.7	155.7	175.5	174.3	0	0	0	0	108.8	G230 D232 I322 L532 Y541 Y542	G230-T539 WeakPolarHBondContact CA-OG1 3.45Å; D232-T539 PolarHBondContact OD1-OG1 3.19Å; D232-T539 WeakPolarHBondContact OD2-CA 3.44Å; D232-T539 PolarHBondContact OD2-OG1 2.92Å; I322-T539 HydrophobicContact CG2-CG2 4.1Å; L532-T539 HydrophobicContact CD1-CG2 3.88Å; T539-Y541 PolarHBondContact O-N 3.45Å; T539-Y542 WeakPolarHBondContact O-CB 3.48Å; T539-Y542 PolarHBondContact O-N 3.36Å
540	K	83.8	Confident	86.6	Confident	156 Å²	156	35.8 Å²	35.8	68%	0.678	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-17	173.5	70.1	-176.6	179.4	179.9	0	114.6	D232	D232-K540 PolarHBondContact OD2-N 3.34Å
541	Y	87.4	Confident	85.6	Confident	55 Å²	55	40.2 Å²	40.2	22%	0.216	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.9	176.9	-66.2	-90.6	0	0	0	113.2	I229 G230 D302 T539 Q543	I229-Y541 HydrophobicContact CB-CD1 4.37Å; I229-Y541 HydrophobicContact CB-CD2 4.34Å; I229-Y541 HydrophobicContact CB-CE1 3.85Å; I229-Y541 HydrophobicContact CB-CE2 3.83Å; I229-Y541 HydrophobicContact CD1-CD1 4.29Å; I229-Y541 HydrophobicContact CD1-CE1 4.45Å; I229-Y541 HydrophobicContact CG2-CE1 3.8Å; I229-Y541 HydrophobicContact CG2-CE2 4.41Å; I229-Y541 WeakPolarHBondContact CG2-OH 3.45Å; G230-Y541 VanDerWaalsContact N-CD2 3.31Å; D302-Y541 HydrophobicContact CB-CD1 4.32Å; D302-Y541 WeakPolarHBondContact OD2-CD1 3.22Å; T539-Y541 PolarHBondContact O-N 3.45Å; Y541-Q543 PolarHBondContact O-N 3.41Å
542	Y	85.3	Confident	84.9	Confident	57 Å²	57	40.4 Å²	40.4	22%	0.224	22%	0.219	C	C	.	.			trans	-71.1	124.5	174.2	172.4	-101.3	0	0	0	110.3	S529 L532 T539 A544 D547	S529-Y542 WeakPolarHBondContact O-CE2 3.2Å; L532-Y542 HydrophobicContact CB-CD2 3.88Å; L532-Y542 HydrophobicContact CD1-CD2 4.37Å; T539-Y542 WeakPolarHBondContact O-CB 3.48Å; T539-Y542 PolarHBondContact O-N 3.36Å; Y542-A544 HydrophobicContact CE1-CB 3.94Å; Y542-D547 HydrophobicContact CE2-CB 3.8Å; Y542-D547 WeakPolarHBondContact CE2-OD2 3.37Å; Y542-D547 WeakPolarHBondContact OH-CB 3.48Å; Y542-D547 PolarHBondContact OH-OD2 3Å
543	Q	81.8	Confident	84.1	Confident	98 Å²	98	42.8 Å²	42.8	46%	0.458	23%	0.228	S	C	.	.			trans	-110.7	107.4	176.3	-62.8	-171.4	59.6	0	0	109.8	S529 Y541 A545 D546 D547	S529-Q543 WeakPolarHBondContact CB-O 3.42Å; S529-Q543 PolarHBondContact OG-N 3.21Å; S529-Q543 VanDerWaalsContact OG-N 3.13Å; S529-Q543 PolarHBondContact OG-O 3.4Å; Y541-Q543 PolarHBondContact O-N 3.41Å; Q543-A545 PolarHBondContact O-N 2.99Å; Q543-A545 VanDerWaalsContact O-N 3.13Å; Q543-D546 HydrophobicContact CB-CB 4.27Å; Q543-D546 WeakPolarHBondContact CB-OD2 3.47Å; Q543-D546 PolarHBondContact O-N 3.37Å; Q543-D546 PolarHBondContact OE1-OD2 3.43Å; Q543-D547 PolarHBondContact O-N 2.78Å
544	A	76.5	Confident	83	Confident	47 Å²	47	49.3 Å²	49.3	39%	0.388	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27	-178.1	0	0	0	0	0	113.9	Y542 D546 Q550	Y542-A544 HydrophobicContact CE1-CB 3.94Å; A544-D546 VanDerWaalsContact C-N 3.34Å; A544-Q550 HydrophobicContact CB-CG 4.13Å
545	A	77.8	Confident	81.4	Confident	92 Å²	92	50.5 Å²	50.5	76%	0.76	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-26.9	176.7	0	0	0	0	0	112.9	Q543	Q543-A545 PolarHBondContact O-N 2.99Å; Q543-A545 VanDerWaalsContact O-N 3.13Å
546	D	86.4	Confident	80.3	Confident	46 Å²	46	53.3 Å²	53.3	25%	0.246	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-13.9	-178.5	-61.6	-37	0	0	0	112.7	N526 Q543 A544 I548	N526-D546 WeakPolarHBondContact CA-O 3.44Å; N526-D546 WeakPolarHBondContact CB-O 3.37Å; N526-D546 PolarHBondContact ND2-O 3.38Å; Q543-D546 HydrophobicContact CB-CB 4.27Å; Q543-D546 WeakPolarHBondContact CB-OD2 3.47Å; Q543-D546 PolarHBondContact O-N 3.37Å; Q543-D546 PolarHBondContact OE1-OD2 3.43Å; A544-D546 VanDerWaalsContact C-N 3.34Å; D546-I548 PolarHBondContact O-N 2.95Å
547	D	87.1	Confident	79.5	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.011	29%	0.288	C	S	.	.			trans	-77.2	110.4	173.8	180	-0.8	0	0	0	111.1	Y542 Q543 L549 Q550	Y542-D547 HydrophobicContact CE2-CB 3.8Å; Y542-D547 WeakPolarHBondContact CE2-OD2 3.37Å; Y542-D547 WeakPolarHBondContact OH-CB 3.48Å; Y542-D547 PolarHBondContact OH-OD2 3Å; Q543-D547 PolarHBondContact O-N 2.78Å; D547-L549 PolarHBondContact O-N 2.93Å; D547-L549 VanDerWaalsContact O-N 3.16Å; D547-L549 WeakPolarHBondContact OD1-CB 3.44Å; D547-L549 PolarHBondContact OD1-N 2.87Å; D547-Q550 HydrophobicContact CB-CB 3.92Å; D547-Q550 WeakPolarHBondContact O-CB 3.39Å; D547-Q550 PolarHBondContact O-N 3.29Å; D547-Q550 VanDerWaalsContact O-N 3.1Å
548	I	91.4	Very high	78.2	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.056	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.7	-179	-62.5	167.8	0	0	0	111.7	F282 M494 L513 Y522 N526 T530 D546	F282-I548 HydrophobicContact CE1-CG2 3.55Å; F282-I548 HydrophobicContact CZ-CG2 3.51Å; M494-I548 HydrophobicContact CE-CD1 3.46Å; M494-I548 VanDerWaalsContact CE-CD1 3.46Å; M494-I548 HydrophobicContact SD-CD1 3.86Å; L513-I548 HydrophobicContact CD2-CG2 4.24Å; L513-I548 WeakPolarHBondContact CD2-O 3.34Å; Y522-I548 HydrophobicContact CD1-CD1 4.21Å; Y522-I548 HydrophobicContact CD1-CG1 3.88Å; Y522-I548 HydrophobicContact CE1-CB 4.49Å; Y522-I548 HydrophobicContact CE1-CD1 4.48Å; Y522-I548 HydrophobicContact CE1-CG1 3.79Å; Y522-I548 HydrophobicContact CE1-CG2 4.3Å; N526-I548 HydrophobicContact CB-CD1 3.94Å; N526-I548 HydrophobicContact CB-CG1 3.99Å; T530-I548 HydrophobicContact CG2-CB 4.24Å; T530-I548 HydrophobicContact CG2-CD1 4.4Å; T530-I548 WeakPolarHBondContact OG1-CG1 3.39Å; T530-I548 PolarHBondContact OG1-N 3.43Å; T530-I548 VanDerWaalsContact OG1-N 3.1Å; D546-I548 PolarHBondContact O-N 2.95Å
549	L	87.1	Confident	77.5	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-30.9	-178.4	-59.1	-177.5	0	0	0	112.6	L496 L498 Y502 V508 L513 T530 L534 D547 T551 C552 R553	L496-L549 HydrophobicContact CD2-CD2 3.57Å; L498-L549 HydrophobicContact CD1-CD2 3.97Å; Y502-L549 HydrophobicContact CE1-CD1 4.33Å; V508-L549 HydrophobicContact CG1-CD2 4.26Å; L513-L549 HydrophobicContact CD1-CD2 3.99Å; L513-L549 HydrophobicContact CD2-CD2 4.15Å; T530-L549 HydrophobicContact CG2-CG 4.49Å; L534-L549 HydrophobicContact CD2-CD1 3.59Å; L534-L549 HydrophobicContact CG-CD1 3.74Å; D547-L549 PolarHBondContact O-N 2.93Å; D547-L549 VanDerWaalsContact O-N 3.16Å; D547-L549 WeakPolarHBondContact OD1-CB 3.44Å; D547-L549 PolarHBondContact OD1-N 2.87Å; L549-T551 VanDerWaalsContact C-N 3.33Å; L549-T551 PolarHBondContact O-N 2.89Å; L549-C552 CarbonylContact O-C 3.52Å; L549-C552 WeakPolarHBondContact O-CA 3.48Å; L549-C552 PolarHBondContact O-N 2.8Å; L549-R553 WeakPolarHBondContact O-CG 3.19Å; L549-R553 PolarHBondContact O-N 2.94Å
550	Q	79.7	Confident	76.9	Confident	74 Å²	74	54.8 Å²	54.8	35%	0.346	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-61.9	-40.8	-164.5	-176.1	63.7	-4.2	0	0	112.5	A544 D547 C552 R553	A544-Q550 HydrophobicContact CB-CG 4.13Å; D547-Q550 HydrophobicContact CB-CB 3.92Å; D547-Q550 WeakPolarHBondContact O-CB 3.39Å; D547-Q550 PolarHBondContact O-N 3.29Å; D547-Q550 VanDerWaalsContact O-N 3.1Å; Q550-C552 PolarHBondContact O-N 3.24Å; Q550-R553 PolarHBondContact O-N 2.99Å
551	T	74.8	Confident	76	Confident	96 Å²	96	51.4 Å²	51.4	59%	0.589	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64.1	-25.3	177.6	-56.6	0	0	0	0	112.7	L549	L549-T551 VanDerWaalsContact C-N 3.33Å; L549-T551 PolarHBondContact O-N 2.89Å
552	C	82.8	Confident	74.7	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.027	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-106	3.7	-178.8	-63.9	0	0	0	0	113.7	D509 C512 L513 L549 Q550	D509-C552 PolarHBondContact N-O 2.98Å; C512-C552 HydrophobicContact CB-CB 3.66Å; C512-C552 WeakPolarHBondContact CB-SG 3.46Å; C512-C552 WeakPolarHBondContact SG-CA 3.48Å; C512-C552 WeakPolarHBondContact SG-CB 3.44Å; C512-C552 CovalentContact SG-SG 2.05Å; C512-C552 PolarHBondContact SG-SG 3.4Å; L513-C552 HydrophobicContact CD2-CB 3.82Å; L513-C552 HydrophobicContact CG-CB 3.86Å; L513-C552 PolarHBondContact N-SG 3.49Å; L549-C552 CarbonylContact O-C 3.52Å; L549-C552 WeakPolarHBondContact O-CA 3.48Å; L549-C552 PolarHBondContact O-N 2.8Å; Q550-C552 PolarHBondContact O-N 3.24Å
553	R	76.4	Confident	73.9	Confident	50 Å²	50	52 Å²	52	19%	0.189	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-81.4	130.9	169.7	-80.4	174.1	177.6	-165.4	-3.7	109.8	Y502 V508 G533 L549 Q550 G555	Y502-R553 PolarHBondContact OH-NH2 3.34Å; Y502-R553 VanDerWaalsContact OH-NH2 3.08Å; V508-R553 HydrophobicContact CG2-CG 3.8Å; G533-R553 PolarHBondContact O-NH1 3.19Å; G533-R553 PolarHBondContact O-NH2 2.96Å; L549-R553 WeakPolarHBondContact O-CG 3.19Å; L549-R553 PolarHBondContact O-N 2.94Å; Q550-R553 PolarHBondContact O-N 2.99Å; R553-G555 PolarHBondContact O-N 3.07Å
554	R	63.8	Low	73.1	Confident	141 Å²	141	50.4 Å²	50.4	53%	0.532	30%	0.298	S	S	.	.			trans	-76.5	40.3	169	-58.8	-176.7	-176.1	177.6	4	112	Q507 D509 L556	Q507-R554 HydrophobicContact CB-CB 4.04Å; Q507-R554 PolarHBondContact O-N 2.94Å; Q507-R554 PolarHBondContact OE1-O 3.34Å; D509-R554 IonicContact OD1-CZ 3.42Å; D509-R554 IonicContact OD1-NH2 3.32Å; D509-R554 PolarHBondContact OD1-NH2 2.89Å; R554-L556 VanDerWaalsContact C-N 3.3Å; R554-L556 PolarHBondContact O-N 3.15Å; R554-L556 VanDerWaalsContact O-N 3.16Å
555	G	60	Low	73.2	Confident	25 Å²	25	50.6 Å²	50.6	26%	0.258	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.2	-162.6	0	0	0	0	0	116.7	R553 I557 L558 A559	R553-G555 PolarHBondContact O-N 3.07Å; G555-I557 VanDerWaalsContact C-N 3.35Å; G555-I557 PolarHBondContact O-N 2.83Å; G555-L558 PolarHBondContact O-N 2.9Å; G555-A559 WeakPolarHBondContact O-CB 3.46Å; G555-A559 PolarHBondContact O-N 2.81Å
556	L	69.1	Low	73	Confident	63 Å²	63	50.9 Å²	50.9	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-42.1	-177.8	-118.6	137.8	0	0	0	113.1	R554 A560 V589 L618 F643 L648	R554-L556 VanDerWaalsContact C-N 3.3Å; R554-L556 PolarHBondContact O-N 3.15Å; R554-L556 VanDerWaalsContact O-N 3.16Å; L556-A560 WeakPolarHBondContact O-CB 3.37Å; L556-A560 PolarHBondContact O-N 2.87Å; L556-A560 VanDerWaalsContact O-N 3.1Å; L556-V589 HydrophobicContact CD2-CG1 4.36Å; L556-L618 HydrophobicContact CD1-CD2 3.53Å; L556-L618 HydrophobicContact CD2-CD2 3.67Å; L556-L618 HydrophobicContact CG-CD2 4.18Å; L556-F643 HydrophobicContact CD1-CZ 4.23Å; L556-L648 HydrophobicContact CD2-CD2 3.54Å; L556-L648 HydrophobicContact CG-CD2 4.29Å
557	I	67	Low	72.7	Confident	52 Å²	52	50.1 Å²	50.1	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-67.1	-46.9	179	-61.6	159.4	0	0	0	109.5	G555 A559 A560 Q561 C567 G569	G555-I557 VanDerWaalsContact C-N 3.35Å; G555-I557 PolarHBondContact O-N 2.83Å; I557-A559 PolarHBondContact O-N 3.14Å; I557-A560 PolarHBondContact O-N 2.97Å; I557-Q561 HydrophobicContact CG2-CG 4.41Å; I557-Q561 WeakPolarHBondContact O-CB 3.09Å; I557-Q561 VanDerWaalsContact O-CG 3.26Å; I557-Q561 WeakPolarHBondContact O-CG 3.36Å; I557-Q561 PolarHBondContact O-N 3.32Å; I557-C567 HydrophobicContact CG2-CB 4.26Å; I557-G569 VanDerWaalsContact CD1-CA 3.49Å
558	L	60.9	Low	72.2	Confident	58 Å²	58	55.2 Å²	55.2	30%	0.304	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-46.7	-178.7	-165	78.5	0	0	0	111	L238 G555 Q561 T562	L238-L558 HydrophobicContact CD1-CD1 4.03Å; L238-L558 HydrophobicContact CD1-CD2 3.62Å; L238-L558 HydrophobicContact CD1-CG 3.5Å; L238-L558 VanDerWaalsContact CD1-CG 3.5Å; L238-L558 HydrophobicContact CD2-CD1 4.06Å; L238-L558 HydrophobicContact CD2-CG 4.41Å; L238-L558 HydrophobicContact CG-CG 4.48Å; G555-L558 PolarHBondContact O-N 2.9Å; L558-Q561 PolarHBondContact O-N 3.25Å; L558-T562 PolarHBondContact O-N 3.26Å; L558-T562 PolarHBondContact O-OG1 3.42Å
559	A	66.2	Low	71.6	Confident	14 Å²	14	56.9 Å²	56.9	12%	0.116	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-44.7	177.3	0	0	0	0	0	113.1	G555 I557 Q561 T562 E563 L645	G555-A559 WeakPolarHBondContact O-CB 3.46Å; G555-A559 PolarHBondContact O-N 2.81Å; I557-A559 PolarHBondContact O-N 3.14Å; A559-Q561 VanDerWaalsContact C-N 3.35Å; A559-Q561 PolarHBondContact O-N 3.44Å; A559-T562 WeakPolarHBondContact CA-OG1 3.4Å; A559-T562 PolarHBondContact O-N 2.99Å; A559-T562 PolarHBondContact O-OG1 3.44Å; A559-T562 VanDerWaalsContact O-OG1 3.12Å; A559-E563 PolarHBondContact O-N 3Å; A559-L645 HydrophobicContact CB-CD1 3.52Å; A559-L645 HydrophobicContact CB-CD2 3.68Å; A559-L645 HydrophobicContact CB-CG 4.13Å
560	A	70.1	Confident	71.1	Confident	10 Å²	10	59.5 Å²	59.5	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-67.8	-35.7	177.9	0	0	0	0	0	111.9	L556 I557 T562 E563 Y565 C567	L556-A560 WeakPolarHBondContact O-CB 3.37Å; L556-A560 PolarHBondContact O-N 2.87Å; L556-A560 VanDerWaalsContact O-N 3.1Å; I557-A560 PolarHBondContact O-N 2.97Å; A560-T562 VanDerWaalsContact C-N 3.29Å; A560-T562 PolarHBondContact O-N 3.49Å; A560-E563 PolarHBondContact O-N 3.45Å; A560-Y565 HydrophobicContact CB-CD2 4.31Å; A560-Y565 WeakPolarHBondContact O-CB 3.38Å; A560-Y565 VanDerWaalsContact O-CD2 3.3Å; A560-Y565 WeakPolarHBondContact O-CD2 3.37Å; A560-Y565 PolarHBondContact O-N 2.78Å; A560-C567 HydrophobicContact CB-CB 4.47Å; A560-C567 WeakPolarHBondContact CB-SG 3.5Å
561	Q	65.2	Low	70.9	Confident	84 Å²	84	60 Å²	60	39%	0.393	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-31.8	172.6	-73.3	174.1	-10.6	0	0	112.6	I557 L558 A559 E563 G564 Y565 C567	I557-Q561 HydrophobicContact CG2-CG 4.41Å; I557-Q561 WeakPolarHBondContact O-CB 3.09Å; I557-Q561 VanDerWaalsContact O-CG 3.26Å; I557-Q561 WeakPolarHBondContact O-CG 3.36Å; I557-Q561 PolarHBondContact O-N 3.32Å; L558-Q561 PolarHBondContact O-N 3.25Å; A559-Q561 VanDerWaalsContact C-N 3.35Å; A559-Q561 PolarHBondContact O-N 3.44Å; Q561-E563 VanDerWaalsContact C-N 3.3Å; Q561-E563 PolarHBondContact O-N 3.22Å; Q561-G564 WeakPolarHBondContact O-CA 3.34Å; Q561-G564 PolarHBondContact O-N 3.3Å; Q561-Y565 WeakPolarHBondContact CA-O 3.4Å; Q561-C567 HydrophobicContact CG-CB 4.12Å; Q561-C567 PolarHBondContact NE2-O 3.01Å
562	T	59	Low	70.9	Confident	79 Å²	79	56.7 Å²	56.7	49%	0.485	34%	0.34	S	S	.	.	H	α-helix	trans	-68.2	-31.6	176.5	-10.1	0	0	0	0	112	L238 L558 A559 A560 G564	L238-T562 HydrophobicContact CD1-CG2 4.2Å; L238-T562 HydrophobicContact CG-CG2 4.49Å; L558-T562 PolarHBondContact O-N 3.26Å; L558-T562 PolarHBondContact O-OG1 3.42Å; A559-T562 WeakPolarHBondContact CA-OG1 3.4Å; A559-T562 PolarHBondContact O-N 2.99Å; A559-T562 PolarHBondContact O-OG1 3.44Å; A559-T562 VanDerWaalsContact O-OG1 3.12Å; A560-T562 VanDerWaalsContact C-N 3.29Å; A560-T562 PolarHBondContact O-N 3.49Å; T562-G564 PolarHBondContact O-N 2.04Å
563	E	68.8	Low	71.1	Confident	46 Å²	46	56.5 Å²	56.5	22%	0.215	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-0.8	167.8	-68.7	-76.9	159.6	0	0	112.7	A559 A560 Q561 Y565 H649 R653 R679	A559-E563 PolarHBondContact O-N 3Å; A560-E563 PolarHBondContact O-N 3.45Å; Q561-E563 VanDerWaalsContact C-N 3.3Å; Q561-E563 PolarHBondContact O-N 3.22Å; E563-Y565 HydrophobicContact CB-CD2 3.68Å; E563-Y565 HydrophobicContact CB-CE2 3.61Å; E563-Y565 HydrophobicContact CG-CE2 4.3Å; E563-H649 VanDerWaalsContact CD-ND1 3.29Å; E563-H649 WeakPolarHBondContact CG-CE1 3.41Å; E563-H649 WeakPolarHBondContact CG-ND1 2.92Å; E563-H649 IonicContact OE1-CE1 3.99Å; E563-H649 PolarHBondContact OE1-CE1 3.4Å; E563-H649 IonicContact OE1-CG 3.9Å; E563-H649 IonicContact OE1-ND1 2.7Å; E563-H649 PolarHBondContact OE1-ND1 2.93Å; E563-R653 IonicContact OE2-NH1 2.89Å; E563-R679 PolarHBondContact O-NH1 2.95Å; E563-R679 PolarHBondContact O-NH2 3.43Å; E563-R679 IonicContact OE2-CZ 2.69Å; E563-R679 IonicContact OE2-NE 3.53Å; E563-R679 IonicContact OE2-NH2 3.48Å; E563-R679 PolarHBondContact OE2-NH2 2.95Å
564	G	65	Low	71.4	Confident	64 Å²	64	60.8 Å²	60.8	66%	0.66	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	18.2	-179.5	0	0	0	0	0	114	Q561 T562	Q561-G564 WeakPolarHBondContact O-CA 3.34Å; Q561-G564 PolarHBondContact O-N 3.3Å; T562-G564 PolarHBondContact O-N 2.04Å
565	Y	78	Confident	72.1	Confident	52 Å²	52	57.5 Å²	57.5	20%	0.204	35%	0.346	C	S	.	.			trans	-80.4	134.2	166.9	-59.3	-63.8	0	0	0	110.3	A560 Q561 E563 C567 I652 R653 L656	A560-Y565 HydrophobicContact CB-CD2 4.31Å; A560-Y565 WeakPolarHBondContact O-CB 3.38Å; A560-Y565 VanDerWaalsContact O-CD2 3.3Å; A560-Y565 WeakPolarHBondContact O-CD2 3.37Å; A560-Y565 PolarHBondContact O-N 2.78Å; Q561-Y565 WeakPolarHBondContact CA-O 3.4Å; E563-Y565 HydrophobicContact CB-CD2 3.68Å; E563-Y565 HydrophobicContact CB-CE2 3.61Å; E563-Y565 HydrophobicContact CG-CE2 4.3Å; Y565-C567 WeakPolarHBondContact CB-SG 3.46Å; Y565-C567 PolarHBondContact O-N 2.8Å; Y565-C567 PolarHBondContact O-SG 3.46Å; Y565-C567 VanDerWaalsContact O-SG 3.41Å; Y565-I652 HydrophobicContact CE1-CG2 4.08Å; Y565-I652 HydrophobicContact CE2-CG2 3.95Å; Y565-R653 WeakPolarHBondContact OH-CG 3.36Å; Y565-L656 HydrophobicContact CD1-CD1 4.33Å; Y565-L656 HydrophobicContact CE1-CD1 3.68Å
566	A	75.1	Confident	73.5	Confident	97 Å²	97	57 Å²	57	80%	0.802	34%	0.339	S	S	*	.			trans	-72.8	112	163.4	0	0	0	0	0	108.6
567	C	79.7	Confident	74.5	Confident	31 Å²	31	55.4 Å²	55.4	21%	0.209	33%	0.33	C	S	.	.			trans	-123.2	128.6	-173.5	-57.9	0	0	0	0	111.1	I557 A560 Q561 Y565	I557-C567 HydrophobicContact CG2-CB 4.26Å; A560-C567 HydrophobicContact CB-CB 4.47Å; A560-C567 WeakPolarHBondContact CB-SG 3.5Å; Q561-C567 HydrophobicContact CG-CB 4.12Å; Q561-C567 PolarHBondContact NE2-O 3.01Å; Y565-C567 WeakPolarHBondContact CB-SG 3.46Å; Y565-C567 PolarHBondContact O-N 2.8Å; Y565-C567 PolarHBondContact O-SG 3.46Å; Y565-C567 VanDerWaalsContact O-SG 3.41Å
568	D	76.7	Confident	75.4	Confident	109 Å²	109	57.9 Å²	57.9	58%	0.583	34%	0.341	S	S	*	.			trans	-106.8	129.7	170	-63.4	-38.5	0	0	0	109.8	Y585	D568-Y585 HydrophobicContact CB-CE1 4.02Å; D568-Y585 WeakPolarHBondContact OD2-CE1 2.95Å; D568-Y585 VanDerWaalsContact OD2-CZ 3.29Å; D568-Y585 PolarHBondContact OD2-OH 3.36Å
569	G	78	Confident	76.5	Confident	46 Å²	46	56.6 Å²	56.6	47%	0.474	34%	0.337	S	S	.	.			trans	-100.4	126.2	177.3	0	0	0	0	0	112.6	I557	I557-G569 VanDerWaalsContact CD1-CA 3.49Å
570	V	76.6	Confident	77.5	Confident	55 Å²	55	56.5 Å²	56.5	33%	0.333	33%	0.334	S	S	.	.			trans	-126.8	146.5	174.7	-66.8	0	0	0	0	109.9	M575 A576	V570-M575 HydrophobicContact CB-CB 3.99Å; V570-M575 HydrophobicContact CG1-CB 4.05Å; V570-M575 HydrophobicContact CG1-CE 4.49Å; V570-A576 HydrophobicContact CG2-CB 3.69Å
571	T	75.1	Confident	78.3	Confident	83 Å²	83	61.6 Å²	61.6	51%	0.509	36%	0.356	S	S	.	.	S	Bend	trans	-106	-5.1	-174.1	52.8	0	0	0	0	114	P595	T571-P595 WeakPolarHBondContact O-CD 3.41Å; T571-P595 VanDerWaalsContact O-CG 3.31Å; T571-P595 WeakPolarHBondContact O-CG 3.36Å
572	T	75.8	Confident	79	Confident	27 Å²	27	62.1 Å²	62.1	17%	0.166	38%	0.375	C	S	.	.	S	Bend	trans	-138.8	150.6	-175.2	63.1	0	0	0	0	111	R574 M575 A576 P595 D596	T572-R574 VanDerWaalsContact C-N 3.27Å; T572-R574 PolarHBondContact O-N 2.97Å; T572-M575 PolarHBondContact O-N 3.25Å; T572-M575 WeakPolarHBondContact OG1-CB 3.22Å; T572-M575 WeakPolarHBondContact OG1-CG 3.31Å; T572-M575 PolarHBondContact OG1-N 3.13Å; T572-M575 PolarHBondContact OG1-SD 3.01Å; T572-A576 PolarHBondContact O-N 3.28Å; T572-P595 HydrophobicContact CG2-CG 4.04Å; T572-D596 WeakPolarHBondContact CA-OD1 3.47Å; T572-D596 WeakPolarHBondContact CB-OD1 3.48Å; T572-D596 WeakPolarHBondContact CB-OD2 3.46Å
573	A	86	Confident	79.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59.4	-39.6	176.4	0	0	0	0	0	111.3	M575 A576 E577 L594 D596 E597 F602	A573-M575 PolarHBondContact O-N 2.9Å; A573-A576 PolarHBondContact O-N 3.4Å; A573-E577 WeakPolarHBondContact O-CB 3.31Å; A573-E577 PolarHBondContact O-N 3.45Å; A573-L594 HydrophobicContact CB-CD1 3.88Å; A573-D596 PolarHBondContact N-OD1 2.89Å; A573-D596 PolarHBondContact N-OD2 3.43Å; A573-E597 HydrophobicContact CB-CB 4.2Å; A573-F602 HydrophobicContact CB-CB 4.18Å; A573-F602 HydrophobicContact CB-CD2 3.87Å; A573-F602 HydrophobicContact CB-CG 4.15Å
574	R	83	Confident	80.2	Confident	140 Å²	140	66.9 Å²	66.9	53%	0.528	40%	0.399	S	S	.	.	H	α-helix	trans	-61.1	-43.4	176.6	-171.7	-174.9	62.7	73.2	2.8	112.9	T572 Q578 D596	T572-R574 VanDerWaalsContact C-N 3.27Å; T572-R574 PolarHBondContact O-N 2.97Å; R574-Q578 VanDerWaalsContact NH1-OE1 3.12Å; R574-Q578 WeakPolarHBondContact O-CG 3.35Å; R574-Q578 PolarHBondContact O-N 3.34Å; R574-Q578 VanDerWaalsContact O-N 3.14Å; R574-D596 PolarHBondContact N-OD2 3.49Å; R574-D596 VanDerWaalsContact N-OD2 3.11Å
575	M	79.7	Confident	81.4	Confident	72 Å²	72	67 Å²	67	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-68	-40.1	177	-73.2	171.7	70.1	0	0	111.2	V570 T572 A573 E577 Q578 S579	V570-M575 HydrophobicContact CB-CB 3.99Å; V570-M575 HydrophobicContact CG1-CB 4.05Å; V570-M575 HydrophobicContact CG1-CE 4.49Å; T572-M575 PolarHBondContact O-N 3.25Å; T572-M575 WeakPolarHBondContact OG1-CB 3.22Å; T572-M575 WeakPolarHBondContact OG1-CG 3.31Å; T572-M575 PolarHBondContact OG1-N 3.13Å; T572-M575 PolarHBondContact OG1-SD 3.01Å; A573-M575 PolarHBondContact O-N 2.9Å; M575-E577 VanDerWaalsContact C-N 3.3Å; M575-E577 PolarHBondContact O-N 2.94Å; M575-Q578 PolarHBondContact O-N 3.3Å; M575-S579 PolarHBondContact O-N 3.23Å; M575-S579 PolarHBondContact O-OG 2.76Å
576	A	88.7	Confident	81.8	Confident	14 Å²	14	68.7 Å²	68.7	12%	0.116	40%	0.399	C	S	.	.	H	α-helix	trans	-59.8	-41.8	176.1	0	0	0	0	0	112	V570 T572 A573 S579 L580 F602	V570-A576 HydrophobicContact CG2-CB 3.69Å; T572-A576 PolarHBondContact O-N 3.28Å; A573-A576 PolarHBondContact O-N 3.4Å; A576-S579 PolarHBondContact O-N 3.49Å; A576-L580 WeakPolarHBondContact O-CB 3.32Å; A576-L580 WeakPolarHBondContact O-CG 3.48Å; A576-L580 PolarHBondContact O-N 2.89Å; A576-F602 HydrophobicContact CB-CE1 4.14Å; A576-F602 HydrophobicContact CB-CE2 3.91Å; A576-F602 HydrophobicContact CB-CZ 3.46Å; A576-F602 VanDerWaalsContact CB-CZ 3.46Å
577	E	90.1	Very high	82.7	Confident	30 Å²	30	65.5 Å²	65.5	14%	0.14	37%	0.368	C	S	.	.	H	α-helix	trans	-65.2	-43.9	176.8	-165.1	156	-163.8	0	0	112	A573 M575 S579 L580 E581 F602 R605 K609	A573-E577 WeakPolarHBondContact O-CB 3.31Å; A573-E577 PolarHBondContact O-N 3.45Å; M575-E577 VanDerWaalsContact C-N 3.3Å; M575-E577 PolarHBondContact O-N 2.94Å; E577-S579 VanDerWaalsContact C-N 3.32Å; E577-S579 PolarHBondContact O-N 3.43Å; E577-L580 PolarHBondContact O-N 2.95Å; E577-E581 WeakPolarHBondContact O-CB 3.32Å; E577-E581 WeakPolarHBondContact O-CG 3.48Å; E577-E581 PolarHBondContact O-N 2.97Å; E577-F602 HydrophobicContact CB-CE2 4.22Å; E577-R605 IonicContact OE1-NE 2.85Å; E577-R605 PolarHBondContact OE1-NE 2.97Å; E577-R605 IonicContact OE2-CZ 2.73Å; E577-R605 IonicContact OE2-NE 3.86Å; E577-R605 PolarHBondContact OE2-NE 3.21Å; E577-R605 IonicContact OE2-NH2 3.08Å; E577-R605 PolarHBondContact OE2-NH2 3.42Å; E577-K609 VanDerWaalsContact OE1-CE 3.26Å; E577-K609 WeakPolarHBondContact OE1-CE 3.42Å; E577-K609 IonicContact OE1-NZ 3.63Å; E577-K609 PolarHBondContact OE1-NZ 3.1Å
578	Q	85.1	Confident	83.3	Confident	105 Å²	105	65.1 Å²	65.1	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-60.8	-40.7	174.5	-72.3	178.1	-23.8	0	0	112.2	R574 M575 E581 A582	R574-Q578 VanDerWaalsContact NH1-OE1 3.12Å; R574-Q578 WeakPolarHBondContact O-CG 3.35Å; R574-Q578 PolarHBondContact O-N 3.34Å; R574-Q578 VanDerWaalsContact O-N 3.14Å; M575-Q578 PolarHBondContact O-N 3.3Å; Q578-E581 PolarHBondContact O-N 3.5Å; Q578-A582 VanDerWaalsContact O-CB 3.31Å; Q578-A582 WeakPolarHBondContact O-CB 3.37Å; Q578-A582 PolarHBondContact O-N 3.18Å
579	S	84	Confident	84.1	Confident	30 Å²	30	62.7 Å²	62.7	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-49.4	175.1	-69.7	0	0	0	0	111.5	M575 A576 E577 E581 A582 G583 Y585	M575-S579 PolarHBondContact O-N 3.23Å; M575-S579 PolarHBondContact O-OG 2.76Å; A576-S579 PolarHBondContact O-N 3.49Å; E577-S579 VanDerWaalsContact C-N 3.32Å; E577-S579 PolarHBondContact O-N 3.43Å; S579-E581 PolarHBondContact O-N 3.17Å; S579-A582 PolarHBondContact O-N 3.21Å; S579-A582 VanDerWaalsContact O-N 3.11Å; S579-G583 PolarHBondContact O-N 2.97Å; S579-Y585 WeakPolarHBondContact O-CE2 3.02Å
580	L	88.8	Confident	84.9	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.063	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-27.1	178	-73.3	171.2	0	0	0	113.2	A576 E577 Y585 V588 F602 I606 Y611 L613	A576-L580 WeakPolarHBondContact O-CB 3.32Å; A576-L580 WeakPolarHBondContact O-CG 3.48Å; A576-L580 PolarHBondContact O-N 2.89Å; E577-L580 PolarHBondContact O-N 2.95Å; L580-Y585 HydrophobicContact CD2-CD2 3.9Å; L580-Y585 HydrophobicContact CD2-CG 4.45Å; L580-V588 HydrophobicContact CD2-CG2 4.11Å; L580-F602 HydrophobicContact CD1-CZ 3.92Å; L580-I606 HydrophobicContact CD1-CB 4.49Å; L580-I606 HydrophobicContact CD1-CD1 4.43Å; L580-I606 HydrophobicContact CD1-CG2 3.79Å; L580-Y611 HydrophobicContact CB-CE1 3.95Å; L580-Y611 WeakPolarHBondContact O-CE1 3.43Å; L580-Y611 PolarHBondContact O-OH 3.47Å; L580-L613 HydrophobicContact CD2-CD1 3.87Å
581	E	86	Confident	85.4	Confident	118 Å²	118	60.7 Å²	60.7	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-79.8	-34.5	174	-73.8	177.3	178.3	0	0	112.3	E577 Q578 S579 K609 Y611	E577-E581 WeakPolarHBondContact O-CB 3.32Å; E577-E581 WeakPolarHBondContact O-CG 3.48Å; E577-E581 PolarHBondContact O-N 2.97Å; Q578-E581 PolarHBondContact O-N 3.5Å; S579-E581 PolarHBondContact O-N 3.17Å; E581-K609 IonicContact OE1-NZ 3.31Å; E581-K609 PolarHBondContact OE1-NZ 3Å; E581-Y611 WeakPolarHBondContact CG-OH 3.43Å
582	A	80	Confident	86	Confident	94 Å²	94	56.8 Å²	56.8	78%	0.777	31%	0.306	S	S	*	.	H	α-helix	trans	-83	-26.8	-178.5	0	0	0	0	0	114	Q578 S579	Q578-A582 VanDerWaalsContact O-CB 3.31Å; Q578-A582 WeakPolarHBondContact O-CB 3.37Å; Q578-A582 PolarHBondContact O-N 3.18Å; S579-A582 PolarHBondContact O-N 3.21Å; S579-A582 VanDerWaalsContact O-N 3.11Å
583	G	74.2	Confident	86.2	Confident	27 Å²	27	58 Å²	58	28%	0.278	32%	0.324	S	S	.	.	S	Bend	trans	-135.5	165.7	-168.6	0	0	0	0	0	114.6	S579	S579-G583 PolarHBondContact O-N 2.97Å
584	H	79.4	Confident	86	Confident	199 Å²	199	59.6 Å²	59.6	92%	0.921	33%	0.332	S	S	*	.			trans	-103	109.9	174.2	-74.1	58.5	0	0	0	109.7
585	Y	88.7	Confident	85	Confident	67 Å²	67	57.9 Å²	57.9	26%	0.263	34%	0.34	S	S	.	.			trans	-100.9	141.2	176.8	-67.9	-85.3	0	0	0	111.2	D568 S579 L580 L613	D568-Y585 HydrophobicContact CB-CE1 4.02Å; D568-Y585 WeakPolarHBondContact OD2-CE1 2.95Å; D568-Y585 VanDerWaalsContact OD2-CZ 3.29Å; D568-Y585 PolarHBondContact OD2-OH 3.36Å; S579-Y585 WeakPolarHBondContact O-CE2 3.02Å; L580-Y585 HydrophobicContact CD2-CD2 3.9Å; L580-Y585 HydrophobicContact CD2-CG 4.45Å; Y585-L613 WeakPolarHBondContact O-CD1 3.46Å
586	S	87.2	Confident	84.8	Confident	86 Å²	86	58.1 Å²	58.1	60%	0.601	34%	0.342	S	S	*	.	S	Bend	trans	-87.7	-20	178.5	-61.6	0	0	0	0	113.3	P614 L656	S586-P614 WeakPolarHBondContact O-CD 3.46Å; S586-P614 VanDerWaalsContact O-CG 3.26Å; S586-P614 WeakPolarHBondContact O-CG 3.45Å; S586-L656 WeakPolarHBondContact O-CD2 3.31Å
587	L	92.9	Very high	84.6	Confident	30 Å²	30	60.3 Å²	60.3	16%	0.157	35%	0.35	C	S	.	.			trans	-162.6	150.6	-180	-179.8	143	0	0	0	109.5	V589 P614 I652 L655 L656	L587-V589 HydrophobicContact CD2-CG2 3.59Å; L587-P614 WeakPolarHBondContact CA-O 3.5Å; L587-P614 HydrophobicContact CB-CG 4.01Å; L587-P614 HydrophobicContact CD1-CB 4.35Å; L587-P614 HydrophobicContact CD1-CG 4.06Å; L587-P614 HydrophobicContact CG-CG 4.16Å; L587-I652 HydrophobicContact CD1-CG2 4.28Å; L587-I652 HydrophobicContact CD2-CG1 4.3Å; L587-L655 HydrophobicContact CD1-CB 3.57Å; L587-L655 HydrophobicContact CD1-CD1 3.78Å; L587-L655 HydrophobicContact CD1-CG 4.35Å; L587-L656 HydrophobicContact CB-CD2 3.87Å; L587-L656 HydrophobicContact CB-CG 4.46Å; L587-L656 HydrophobicContact CD1-CD2 4.44Å; L587-L656 HydrophobicContact CD1-CG 4.22Å
588	V	94.2	Very high	84.6	Confident	24 Å²	24	61 Å²	61	15%	0.145	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.1	171	168	0	0	0	0	109.5	L580 L590 L613 P614 V615 L616	L580-V588 HydrophobicContact CD2-CG2 4.11Å; V588-L590 HydrophobicContact CG1-CB 4.18Å; V588-L613 HydrophobicContact CG2-CD1 3.63Å; V588-L613 HydrophobicContact CG2-CG 4.23Å; V588-P614 PolarHBondContact N-O 3.02Å; V588-V615 HydrophobicContact CB-CG2 4.09Å; V588-V615 HydrophobicContact CG1-CG1 4.43Å; V588-V615 HydrophobicContact CG1-CG2 4.49Å; V588-V615 CarbonylContact O-C 3.59Å; V588-V615 WeakPolarHBondContact O-CA 3.47Å; V588-L616 PolarHBondContact O-N 3.28Å
589	V	93.3	Very high	84.9	Confident	57 Å²	57	56 Å²	56	35%	0.345	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.3	165.4	-176.5	0	0	0	0	107.4	L556 L587 L616 L618 I652	L556-V589 HydrophobicContact CD2-CG1 4.36Å; L587-V589 HydrophobicContact CD2-CG2 3.59Å; V589-L616 CarbonylContact C-O 3.53Å; V589-L616 WeakPolarHBondContact CA-O 3.46Å; V589-L618 HydrophobicContact CG1-CB 3.77Å; V589-L618 HydrophobicContact CG1-CD2 3.77Å; V589-L618 HydrophobicContact CG1-CG 4.43Å; V589-I652 HydrophobicContact CG2-CD1 4.18Å; V589-I652 HydrophobicContact CG2-CG1 4.44Å
590	L	93.5	Very high	85.3	Confident	7 Å²	7	56 Å²	56	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120	-170	176.9	62.5	0	0	0	111.4	V588 L592 L594 F602 L603 V615 L616 I617 L618	V588-L590 HydrophobicContact CG1-CB 4.18Å; L590-L592 HydrophobicContact CD2-CD2 4.28Å; L590-L592 HydrophobicContact CG-CD2 4.46Å; L590-L594 HydrophobicContact CD1-CD1 4.03Å; L590-F602 HydrophobicContact CD1-CD1 3.7Å; L590-F602 HydrophobicContact CD1-CE1 4.07Å; L590-F602 HydrophobicContact CD2-CD1 4.26Å; L590-L603 HydrophobicContact CD2-CB 3.93Å; L590-V615 HydrophobicContact CB-CG1 4Å; L590-V615 HydrophobicContact CD2-CG1 4.21Å; L590-L616 PolarHBondContact N-O 3.3Å; L590-I617 CarbonylContact O-C 3.6Å; L590-I617 WeakPolarHBondContact O-CA 3.22Å; L590-L618 PolarHBondContact O-N 2.92Å
591	D	88.6	Confident	85.5	Confident	53 Å²	53	61.1 Å²	61.1	28%	0.283	35%	0.352	S	S	.	.			trans	-80.4	136.4	161.4	-159.5	-29.5	0	0	0	109.8	G593 L594 L618 K641	D591-G593 VanDerWaalsContact C-N 3.33Å; D591-G593 PolarHBondContact OD1-N 2.9Å; D591-L594 WeakPolarHBondContact O-CG 3.3Å; D591-L618 WeakPolarHBondContact CA-O 3.33Å; D591-K641 IonicContact OD2-NZ 3.58Å; D591-K641 PolarHBondContact OD2-NZ 3.2Å
592	L	87.6	Confident	86	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	33%	0.327	C	S	.	.	S	Bend	trans	-77.3	-22.1	174.2	-60.1	-175.1	0	0	0	112.6	L590 L594 G599 L600 I617 T619 Y638	L590-L592 HydrophobicContact CD2-CD2 4.28Å; L590-L592 HydrophobicContact CG-CD2 4.46Å; L592-L594 VanDerWaalsContact C-N 3.25Å; L592-L594 PolarHBondContact O-N 3.02Å; L592-L594 VanDerWaalsContact O-N 3.14Å; L592-G599 PolarHBondContact O-N 3.42Å; L592-L600 HydrophobicContact CD1-CD2 4.07Å; L592-L600 HydrophobicContact CD1-CG 4.09Å; L592-L600 HydrophobicContact CD2-CD2 3.82Å; L592-L600 HydrophobicContact CD2-CG 3.95Å; L592-I617 HydrophobicContact CD1-CG2 3.98Å; L592-I617 HydrophobicContact CD2-CD1 4.1Å; L592-I617 HydrophobicContact CD2-CG1 4.21Å; L592-I617 HydrophobicContact CD2-CG2 4.15Å; L592-I617 HydrophobicContact CG-CG2 3.78Å; L592-T619 HydrophobicContact CD1-CG2 4.03Å; L592-T619 HydrophobicContact CG-CG2 4.27Å; L592-Y638 HydrophobicContact CD1-CE2 4.39Å
593	G	80.3	Confident	86.7	Confident	53 Å²	53	51.1 Å²	51.1	55%	0.546	29%	0.29	S	S	.	.			trans	-84.3	48.1	179.3	0	0	0	0	0	113.8	D591	D591-G593 VanDerWaalsContact C-N 3.33Å; D591-G593 PolarHBondContact OD1-N 2.9Å
594	L	80.7	Confident	87.6	Confident	32 Å²	32	51.9 Å²	51.9	17%	0.168	29%	0.293	C	S	.	.			trans	-71.3	145.8	175.1	-56	171.8	0	0	0	110.2	A573 L590 D591 L592 E597 F602	A573-L594 HydrophobicContact CB-CD1 3.88Å; L590-L594 HydrophobicContact CD1-CD1 4.03Å; D591-L594 WeakPolarHBondContact O-CG 3.3Å; L592-L594 VanDerWaalsContact C-N 3.25Å; L592-L594 PolarHBondContact O-N 3.02Å; L592-L594 VanDerWaalsContact O-N 3.14Å; L594-E597 WeakPolarHBondContact CB-O 3.41Å; L594-F602 HydrophobicContact CD1-CB 4.49Å
595	P	62.9	Low	88.3	Confident	105 Å²	105	45.3 Å²	45.3	68%	0.682	26%	0.26	S	S	*	.	S	Bend	trans	-76.6	-22	-172.7	30.4	-36.4	0	0	0	114.2	T571 T572	T571-P595 WeakPolarHBondContact O-CD 3.41Å; T571-P595 VanDerWaalsContact O-CG 3.31Å; T571-P595 WeakPolarHBondContact O-CG 3.36Å; T572-P595 HydrophobicContact CG2-CG 4.04Å
596	D	75	Confident	88.5	Confident	77 Å²	77	42.1 Å²	42.1	41%	0.412	25%	0.248	S	C	.	.	S	Bend	trans	-100.8	-27.8	-175.5	57.8	-36.5	0	0	0	114.1	T572 A573 R574	T572-D596 WeakPolarHBondContact CA-OD1 3.47Å; T572-D596 WeakPolarHBondContact CB-OD1 3.48Å; T572-D596 WeakPolarHBondContact CB-OD2 3.46Å; A573-D596 PolarHBondContact N-OD1 2.89Å; A573-D596 PolarHBondContact N-OD2 3.43Å; R574-D596 PolarHBondContact N-OD2 3.49Å; R574-D596 VanDerWaalsContact N-OD2 3.11Å
597	E	84.9	Confident	88.8	Confident	59 Å²	59	40.6 Å²	40.6	28%	0.276	23%	0.229	S	C	.	.	S	Bend	trans	-154.3	157.5	179.7	-170.3	-179.7	-170.5	0	0	110.1	A573 L594 G599 H601 R605	A573-E597 HydrophobicContact CB-CB 4.2Å; L594-E597 WeakPolarHBondContact CB-O 3.41Å; E597-G599 PolarHBondContact O-N 3.18Å; E597-H601 HydrophobicContact CG-CB 4.03Å; E597-H601 WeakPolarHBondContact OE1-CB 3.42Å; E597-R605 IonicContact OE1-CZ 3.45Å; E597-R605 IonicContact OE1-NH1 2.85Å; E597-R605 PolarHBondContact OE1-NH1 3.08Å; E597-R605 IonicContact OE2-CZ 2.64Å; E597-R605 IonicContact OE2-NH1 2.62Å; E597-R605 PolarHBondContact OE2-NH1 2.91Å; E597-R605 IonicContact OE2-NH2 3.91Å; E597-R605 PolarHBondContact OE2-NH2 3.03Å
598	D	89.7	Confident	88.7	Confident	46 Å²	46	47 Å²	47	25%	0.246	26%	0.258	C	S	.	.			trans	-67.2	132.1	169.6	-168	-70.6	0	0	0	110.9	L600 H601 F602 R621	D598-L600 PolarHBondContact O-N 3.4Å; D598-L600 VanDerWaalsContact O-N 3.13Å; D598-L600 WeakPolarHBondContact OD1-CB 3.4Å; D598-L600 PolarHBondContact OD1-N 3.3Å; D598-H601 WeakPolarHBondContact O-CB 3.22Å; D598-H601 PolarHBondContact O-N 3.41Å; D598-F602 PolarHBondContact O-N 3.03Å; D598-R621 IonicContact OD1-NH1 2.72Å; D598-R621 PolarHBondContact OD1-NH1 2.95Å; D598-R621 IonicContact OD2-CZ 3.76Å; D598-R621 VanDerWaalsContact OD2-CZ 3.23Å; D598-R621 IonicContact OD2-NH1 3.48Å; D598-R621 PolarHBondContact OD2-NH1 3.06Å; D598-R621 IonicContact OD2-NH2 2.89Å; D598-R621 PolarHBondContact OD2-NH2 3.32Å
599	G	90.7	Very high	88.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-23.8	-177.6	0	0	0	0	0	114.5	L592 E597 F602 L603	L592-G599 PolarHBondContact O-N 3.42Å; E597-G599 PolarHBondContact O-N 3.18Å; G599-F602 PolarHBondContact O-N 2.92Å; G599-L603 WeakPolarHBondContact O-CB 3.38Å; G599-L603 PolarHBondContact O-N 3.35Å
600	L	92.8	Very high	88.3	Confident	29 Å²	29	56.1 Å²	56.1	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-37.5	173.2	-68.4	177.5	0	0	0	111.9	L592 D598 L603 A604 I617 A629	L592-L600 HydrophobicContact CD1-CD2 4.07Å; L592-L600 HydrophobicContact CD1-CG 4.09Å; L592-L600 HydrophobicContact CD2-CD2 3.82Å; L592-L600 HydrophobicContact CD2-CG 3.95Å; D598-L600 PolarHBondContact O-N 3.4Å; D598-L600 VanDerWaalsContact O-N 3.13Å; D598-L600 WeakPolarHBondContact OD1-CB 3.4Å; D598-L600 PolarHBondContact OD1-N 3.3Å; L600-L603 PolarHBondContact O-N 3.07Å; L600-A604 WeakPolarHBondContact O-CB 2.87Å; L600-A604 PolarHBondContact O-N 3.15Å; L600-I617 HydrophobicContact CD2-CD1 4.31Å; L600-A629 HydrophobicContact CD1-CB 4.39Å
601	H	94.2	Very high	88.2	Confident	120 Å²	120	58.5 Å²	58.5	56%	0.556	30%	0.3	S	S	*	.	H	α-helix	trans	-68.2	-39.9	175.1	-66.3	121.3	0	0	0	111.3	E597 D598 A604 R605	E597-H601 HydrophobicContact CG-CB 4.03Å; E597-H601 WeakPolarHBondContact OE1-CB 3.42Å; D598-H601 WeakPolarHBondContact O-CB 3.22Å; D598-H601 PolarHBondContact O-N 3.41Å; H601-A604 PolarHBondContact O-N 2.98Å; H601-R605 WeakPolarHBondContact O-CB 3.45Å; H601-R605 PolarHBondContact O-N 3.07Å
602	F	94.9	Very high	88.1	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.009	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-46.8	172.3	172.4	-107	0	0	0	111.6	A573 A576 E577 L580 L590 L594 D598 G599 A604 R605 I606	A573-F602 HydrophobicContact CB-CB 4.18Å; A573-F602 HydrophobicContact CB-CD2 3.87Å; A573-F602 HydrophobicContact CB-CG 4.15Å; A576-F602 HydrophobicContact CB-CE1 4.14Å; A576-F602 HydrophobicContact CB-CE2 3.91Å; A576-F602 HydrophobicContact CB-CZ 3.46Å; A576-F602 VanDerWaalsContact CB-CZ 3.46Å; E577-F602 HydrophobicContact CB-CE2 4.22Å; L580-F602 HydrophobicContact CD1-CZ 3.92Å; L590-F602 HydrophobicContact CD1-CD1 3.7Å; L590-F602 HydrophobicContact CD1-CE1 4.07Å; L590-F602 HydrophobicContact CD2-CD1 4.26Å; L594-F602 HydrophobicContact CD1-CB 4.49Å; D598-F602 PolarHBondContact O-N 3.03Å; G599-F602 PolarHBondContact O-N 2.92Å; F602-A604 PolarHBondContact O-N 3.19Å; F602-R605 PolarHBondContact O-N 3.14Å; F602-I606 HydrophobicContact CD2-CG2 4.21Å; F602-I606 HydrophobicContact CE1-CD1 4.18Å; F602-I606 HydrophobicContact CE1-CG2 4.26Å; F602-I606 HydrophobicContact CE2-CG2 3.67Å; F602-I606 HydrophobicContact CZ-CG2 3.7Å; F602-I606 PolarHBondContact O-N 2.97Å
603	L	95.7	Very high	88.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-48.4	176.8	-180	58.8	0	0	0	111.9	L590 G599 L600 R605 I606 R607 V615 I617 V633 A635	L590-L603 HydrophobicContact CD2-CB 3.93Å; G599-L603 WeakPolarHBondContact O-CB 3.38Å; G599-L603 PolarHBondContact O-N 3.35Å; L600-L603 PolarHBondContact O-N 3.07Å; L603-R605 VanDerWaalsContact C-N 3.26Å; L603-R605 PolarHBondContact O-N 2.92Å; L603-I606 HydrophobicContact CD1-CD1 4.11Å; L603-I606 HydrophobicContact CD1-CG1 4.29Å; L603-I606 WeakPolarHBondContact O-CG1 3.27Å; L603-I606 PolarHBondContact O-N 3.47Å; L603-R607 HydrophobicContact CD1-CG 4.25Å; L603-R607 WeakPolarHBondContact O-CG 3.49Å; L603-R607 PolarHBondContact O-N 2.98Å; L603-V615 HydrophobicContact CD1-CB 3.94Å; L603-V615 HydrophobicContact CD1-CG1 3.75Å; L603-V615 HydrophobicContact CD1-CG2 3.81Å; L603-I617 HydrophobicContact CD2-CD1 4.14Å; L603-V633 HydrophobicContact CB-CG1 4.11Å; L603-V633 HydrophobicContact CD2-CB 4.28Å; L603-V633 HydrophobicContact CD2-CG1 3.93Å; L603-V633 HydrophobicContact CG-CG1 3.87Å; L603-A635 HydrophobicContact CD2-CB 3.84Å
604	A	93.1	Very high	88.9	Confident	43 Å²	43	59.4 Å²	59.4	36%	0.355	30%	0.296	S	S	.	.	H	α-helix	trans	-57.1	-42	176.5	0	0	0	0	0	111.5	L600 H601 F602 R607 Q608 V633	L600-A604 WeakPolarHBondContact O-CB 2.87Å; L600-A604 PolarHBondContact O-N 3.15Å; H601-A604 PolarHBondContact O-N 2.98Å; F602-A604 PolarHBondContact O-N 3.19Å; A604-R607 PolarHBondContact O-N 2.94Å; A604-Q608 WeakPolarHBondContact O-CB 3.47Å; A604-Q608 PolarHBondContact O-N 2.89Å; A604-V633 HydrophobicContact CB-CG1 3.78Å
605	R	93.8	Very high	89.7	Confident	60 Å²	60	57.9 Å²	57.9	23%	0.226	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-45.5	179.7	-176.2	166.1	61.8	-107.2	2.5	112.7	E577 E597 H601 F602 L603 R607 Q608 K609	E577-R605 IonicContact OE1-NE 2.85Å; E577-R605 PolarHBondContact OE1-NE 2.97Å; E577-R605 IonicContact OE2-CZ 2.73Å; E577-R605 IonicContact OE2-NE 3.86Å; E577-R605 PolarHBondContact OE2-NE 3.21Å; E577-R605 IonicContact OE2-NH2 3.08Å; E577-R605 PolarHBondContact OE2-NH2 3.42Å; E597-R605 IonicContact OE1-CZ 3.45Å; E597-R605 IonicContact OE1-NH1 2.85Å; E597-R605 PolarHBondContact OE1-NH1 3.08Å; E597-R605 IonicContact OE2-CZ 2.64Å; E597-R605 IonicContact OE2-NH1 2.62Å; E597-R605 PolarHBondContact OE2-NH1 2.91Å; E597-R605 IonicContact OE2-NH2 3.91Å; E597-R605 PolarHBondContact OE2-NH2 3.03Å; H601-R605 WeakPolarHBondContact O-CB 3.45Å; H601-R605 PolarHBondContact O-N 3.07Å; F602-R605 PolarHBondContact O-N 3.14Å; L603-R605 VanDerWaalsContact C-N 3.26Å; L603-R605 PolarHBondContact O-N 2.92Å; R605-R607 VanDerWaalsContact C-N 3.31Å; R605-R607 PolarHBondContact O-N 3.25Å; R605-Q608 WeakPolarHBondContact O-CB 3.32Å; R605-Q608 PolarHBondContact O-N 3.01Å; R605-K609 PolarHBondContact O-N 2.84Å
606	I	93.4	Very high	91.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-35.1	177.8	64.8	172.3	0	0	0	111.4	L580 F602 L603 K609 K610 Y611 V615	L580-I606 HydrophobicContact CD1-CB 4.49Å; L580-I606 HydrophobicContact CD1-CD1 4.43Å; L580-I606 HydrophobicContact CD1-CG2 3.79Å; F602-I606 HydrophobicContact CD2-CG2 4.21Å; F602-I606 HydrophobicContact CE1-CD1 4.18Å; F602-I606 HydrophobicContact CE1-CG2 4.26Å; F602-I606 HydrophobicContact CE2-CG2 3.67Å; F602-I606 HydrophobicContact CZ-CG2 3.7Å; F602-I606 PolarHBondContact O-N 2.97Å; L603-I606 HydrophobicContact CD1-CD1 4.11Å; L603-I606 HydrophobicContact CD1-CG1 4.29Å; L603-I606 WeakPolarHBondContact O-CG1 3.27Å; L603-I606 PolarHBondContact O-N 3.47Å; I606-K609 CarbonylContact O-C 3.5Å; I606-K609 PolarHBondContact O-N 3.08Å; I606-K610 PolarHBondContact O-N 3.32Å; I606-Y611 HydrophobicContact CB-CD2 3.93Å; I606-Y611 HydrophobicContact CB-CG 4.43Å; I606-Y611 HydrophobicContact CG2-CD2 4.43Å; I606-Y611 WeakPolarHBondContact O-CB 3.44Å; I606-Y611 WeakPolarHBondContact O-CD2 3.33Å; I606-Y611 PolarHBondContact O-N 3.23Å; I606-V615 HydrophobicContact CD1-CG2 4.06Å
607	R	93.2	Very high	92.3	Very high	54 Å²	54	49.2 Å²	49.2	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-39.1	173	-67.7	-62.9	-176.9	-124.2	4.6	112	L603 A604 R605 K609 K610 Y611 L613 G634 D636	L603-R607 HydrophobicContact CD1-CG 4.25Å; L603-R607 WeakPolarHBondContact O-CG 3.49Å; L603-R607 PolarHBondContact O-N 2.98Å; A604-R607 PolarHBondContact O-N 2.94Å; R605-R607 VanDerWaalsContact C-N 3.31Å; R605-R607 PolarHBondContact O-N 3.25Å; R607-K609 VanDerWaalsContact C-N 3.32Å; R607-K609 PolarHBondContact O-N 2.87Å; R607-K610 WeakPolarHBondContact O-CA 3.44Å; R607-K610 PolarHBondContact O-N 3.39Å; R607-Y611 PolarHBondContact NH1-O 3.02Å; R607-L613 PolarHBondContact NH1-O 2.91Å; R607-L613 PolarHBondContact NH2-O 3.19Å; R607-G634 PolarHBondContact NE-O 2.81Å; R607-G634 PolarHBondContact NH2-O 3.22Å; R607-D636 IonicContact NH2-OD2 2.81Å; R607-D636 PolarHBondContact NH2-OD2 2.95Å
608	Q	89.8	Confident	92.6	Very high	164 Å²	164	46.6 Å²	46.6	77%	0.766	22%	0.224	S	C	*	.	H	α-helix	trans	-62.6	-37.9	172.6	-170.5	-178.1	14.5	0	0	112.3	A604 R605 K610	A604-Q608 WeakPolarHBondContact O-CB 3.47Å; A604-Q608 PolarHBondContact O-N 2.89Å; R605-Q608 WeakPolarHBondContact O-CB 3.32Å; R605-Q608 PolarHBondContact O-N 3.01Å; Q608-K610 PolarHBondContact O-N 3.3Å
609	K	91.6	Very high	92.3	Very high	96 Å²	96	44.5 Å²	44.5	42%	0.417	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	2.5	171	-76.8	-173.5	167.7	-177.1	0	113.7	E577 E581 R605 I606 R607 Y611	E577-K609 VanDerWaalsContact OE1-CE 3.26Å; E577-K609 WeakPolarHBondContact OE1-CE 3.42Å; E577-K609 IonicContact OE1-NZ 3.63Å; E577-K609 PolarHBondContact OE1-NZ 3.1Å; E581-K609 IonicContact OE1-NZ 3.31Å; E581-K609 PolarHBondContact OE1-NZ 3Å; R605-K609 PolarHBondContact O-N 2.84Å; I606-K609 CarbonylContact O-C 3.5Å; I606-K609 PolarHBondContact O-N 3.08Å; R607-K609 VanDerWaalsContact C-N 3.32Å; R607-K609 PolarHBondContact O-N 2.87Å; K609-Y611 VanDerWaalsContact C-N 3.33Å; K609-Y611 HydrophobicContact CB-CD2 3.74Å; K609-Y611 HydrophobicContact CB-CE2 3.82Å; K609-Y611 HydrophobicContact CD-CE2 4.08Å; K609-Y611 PolarHBondContact O-N 3.43Å
610	K	88.1	Confident	91.8	Very high	178 Å²	178	47.9 Å²	47.9	77%	0.774	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	27.9	178.5	-54.9	-166.9	175.9	-172.9	0	114.9	I606 R607 Q608 T612	I606-K610 PolarHBondContact O-N 3.32Å; R607-K610 WeakPolarHBondContact O-CA 3.44Å; R607-K610 PolarHBondContact O-N 3.39Å; Q608-K610 PolarHBondContact O-N 3.3Å; K610-T612 PolarHBondContact O-N 3.46Å
611	Y	91	Very high	91.3	Very high	57 Å²	57	50.1 Å²	50.1	22%	0.224	25%	0.248	C	C	.	.			trans	-66.9	116.2	166.6	-75.8	-78.9	0	0	0	109.7	L580 E581 I606 R607 K609 L613	L580-Y611 HydrophobicContact CB-CE1 3.95Å; L580-Y611 WeakPolarHBondContact O-CE1 3.43Å; L580-Y611 PolarHBondContact O-OH 3.47Å; E581-Y611 WeakPolarHBondContact CG-OH 3.43Å; I606-Y611 HydrophobicContact CB-CD2 3.93Å; I606-Y611 HydrophobicContact CB-CG 4.43Å; I606-Y611 HydrophobicContact CG2-CD2 4.43Å; I606-Y611 WeakPolarHBondContact O-CB 3.44Å; I606-Y611 WeakPolarHBondContact O-CD2 3.33Å; I606-Y611 PolarHBondContact O-N 3.23Å; R607-Y611 PolarHBondContact NH1-O 3.02Å; K609-Y611 VanDerWaalsContact C-N 3.33Å; K609-Y611 HydrophobicContact CB-CD2 3.74Å; K609-Y611 HydrophobicContact CB-CE2 3.82Å; K609-Y611 HydrophobicContact CD-CE2 4.08Å; K609-Y611 PolarHBondContact O-N 3.43Å; Y611-L613 HydrophobicContact CD1-CD2 4.24Å; Y611-L613 HydrophobicContact CG-CD2 4.32Å
612	T	86	Confident	90.8	Very high	112 Å²	112	50 Å²	50	69%	0.687	25%	0.251	S	S	*	.			trans	-95.4	-7.8	-174.9	55	0	0	0	0	114.3	K610 H659	K610-T612 PolarHBondContact O-N 3.46Å; T612-H659 PolarHBondContact O-CE1 2.99Å
613	L	91.2	Very high	90.2	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.063	27%	0.268	C	S	.	.	S	Bend	trans	-59.1	146.2	-179.9	75.7	177.7	0	0	0	111.9	L580 Y585 V588 R607 Y611	L580-L613 HydrophobicContact CD2-CD1 3.87Å; Y585-L613 WeakPolarHBondContact O-CD1 3.46Å; V588-L613 HydrophobicContact CG2-CD1 3.63Å; V588-L613 HydrophobicContact CG2-CG 4.23Å; R607-L613 PolarHBondContact NH1-O 2.91Å; R607-L613 PolarHBondContact NH2-O 3.19Å; Y611-L613 HydrophobicContact CD1-CD2 4.24Å; Y611-L613 HydrophobicContact CG-CD2 4.32Å
614	P	94.4	Very high	89.5	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	30%	0.3	C	S	.	.			trans	-63.4	138.6	179.6	24.7	-33.3	0	0	0	111.5	S586 L587 V588 D636 L655 H659	S586-P614 WeakPolarHBondContact O-CD 3.46Å; S586-P614 VanDerWaalsContact O-CG 3.26Å; S586-P614 WeakPolarHBondContact O-CG 3.45Å; L587-P614 WeakPolarHBondContact CA-O 3.5Å; L587-P614 HydrophobicContact CB-CG 4.01Å; L587-P614 HydrophobicContact CD1-CB 4.35Å; L587-P614 HydrophobicContact CD1-CG 4.06Å; L587-P614 HydrophobicContact CG-CG 4.16Å; V588-P614 PolarHBondContact N-O 3.02Å; P614-D636 VanDerWaalsContact CA-OD2 3.23Å; P614-D636 WeakPolarHBondContact CA-OD2 2.95Å; P614-D636 HydrophobicContact CB-CB 4.37Å; P614-L655 HydrophobicContact CB-CB 4.14Å; P614-L655 HydrophobicContact CB-CD2 4.33Å; P614-H659 HydrophobicContact CG-CB 4.13Å
615	V	96.6	Very high	89	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.9	176.2	176.4	0	0	0	0	109.9	V588 L590 L603 I606 D636 D637	V588-V615 HydrophobicContact CB-CG2 4.09Å; V588-V615 HydrophobicContact CG1-CG1 4.43Å; V588-V615 HydrophobicContact CG1-CG2 4.49Å; V588-V615 CarbonylContact O-C 3.59Å; V588-V615 WeakPolarHBondContact O-CA 3.47Å; L590-V615 HydrophobicContact CB-CG1 4Å; L590-V615 HydrophobicContact CD2-CG1 4.21Å; L603-V615 HydrophobicContact CD1-CB 3.94Å; L603-V615 HydrophobicContact CD1-CG1 3.75Å; L603-V615 HydrophobicContact CD1-CG2 3.81Å; I606-V615 HydrophobicContact CD1-CG2 4.06Å; V615-D636 PolarHBondContact N-OD2 3.2Å; V615-D636 PolarHBondContact O-N 2.82Å; V615-D637 PolarHBondContact O-N 3.42Å
616	L	96.5	Very high	88.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.7	170.3	172.7	61.8	0	0	0	109.2	V588 V589 L590 D637 L639 L648 R651 I652 L655	V588-L616 PolarHBondContact O-N 3.28Å; V589-L616 CarbonylContact C-O 3.53Å; V589-L616 WeakPolarHBondContact CA-O 3.46Å; L590-L616 PolarHBondContact N-O 3.3Å; L616-D637 HydrophobicContact CD1-CB 3.71Å; L616-L639 HydrophobicContact CD1-CB 4.26Å; L616-L648 HydrophobicContact CD2-CD1 3.5Å; L616-L648 VanDerWaalsContact CD2-CD1 3.5Å; L616-R651 HydrophobicContact CD2-CB 4.25Å; L616-I652 HydrophobicContact CD2-CG1 4.14Å; L616-L655 HydrophobicContact CB-CD1 3.75Å
617	I	96.2	Very high	88.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.7	171.4	-70.2	170.8	0	0	0	109.6	L590 L592 L600 L603 T619 A635 D637 Y638 L639	L590-I617 CarbonylContact O-C 3.6Å; L590-I617 WeakPolarHBondContact O-CA 3.22Å; L592-I617 HydrophobicContact CD1-CG2 3.98Å; L592-I617 HydrophobicContact CD2-CD1 4.1Å; L592-I617 HydrophobicContact CD2-CG1 4.21Å; L592-I617 HydrophobicContact CD2-CG2 4.15Å; L592-I617 HydrophobicContact CG-CG2 3.78Å; L600-I617 HydrophobicContact CD2-CD1 4.31Å; L603-I617 HydrophobicContact CD2-CD1 4.14Å; I617-T619 HydrophobicContact CG2-CG2 3.66Å; I617-A635 HydrophobicContact CD1-CB 3.45Å; I617-A635 VanDerWaalsContact CD1-CB 3.45Å; I617-A635 HydrophobicContact CG1-CB 3.74Å; I617-D637 PolarHBondContact N-O 3.21Å; I617-Y638 HydrophobicContact CB-CD2 3.69Å; I617-Y638 HydrophobicContact CB-CE2 4.08Å; I617-Y638 HydrophobicContact CB-CG 4.16Å; I617-Y638 HydrophobicContact CD1-CD2 3.79Å; I617-Y638 HydrophobicContact CD1-CE2 3.99Å; I617-Y638 HydrophobicContact CG1-CD2 4.34Å; I617-Y638 HydrophobicContact CG2-CD2 3.65Å; I617-Y638 HydrophobicContact CG2-CE1 4.45Å; I617-Y638 HydrophobicContact CG2-CE2 3.51Å; I617-Y638 HydrophobicContact CG2-CG 4.19Å; I617-L639 PolarHBondContact O-N 3.36Å
618	L	91	Very high	87.6	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	95.7	177.4	-168.9	66.1	0	0	0	110.8	L556 V589 L590 D591 L639 K641 F643 L648	L556-L618 HydrophobicContact CD1-CD2 3.53Å; L556-L618 HydrophobicContact CD2-CD2 3.67Å; L556-L618 HydrophobicContact CG-CD2 4.18Å; V589-L618 HydrophobicContact CG1-CB 3.77Å; V589-L618 HydrophobicContact CG1-CD2 3.77Å; V589-L618 HydrophobicContact CG1-CG 4.43Å; L590-L618 PolarHBondContact O-N 2.92Å; D591-L618 WeakPolarHBondContact CA-O 3.33Å; L618-L639 WeakPolarHBondContact CA-O 3.49Å; L618-L639 HydrophobicContact CD1-CB 3.78Å; L618-L639 HydrophobicContact CD1-CD2 3.65Å; L618-L639 HydrophobicContact CD1-CG 3.72Å; L618-K641 VanDerWaalsContact O-CE 3.31Å; L618-K641 WeakPolarHBondContact O-CE 3.42Å; L618-F643 HydrophobicContact CD1-CD1 3.54Å; L618-F643 HydrophobicContact CD1-CE1 3.36Å; L618-F643 HydrophobicContact CD1-CE2 4.39Å; L618-F643 HydrophobicContact CD1-CG 4.19Å; L618-F643 HydrophobicContact CD1-CZ 3.84Å; L618-F643 HydrophobicContact CD2-CE1 3.75Å; L618-F643 HydrophobicContact CD2-CZ 3.67Å; L618-F643 HydrophobicContact CG-CD1 4.37Å; L618-F643 HydrophobicContact CG-CE1 3.75Å; L618-F643 HydrophobicContact CG-CZ 4.17Å; L618-L648 HydrophobicContact CD1-CD1 4.44Å; L618-L648 HydrophobicContact CD2-CD1 4.41Å; L618-L648 HydrophobicContact CD2-CD2 4.49Å
619	T	84.5	Confident	87.5	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	160.2	-166.1	-170.9	0	0	0	0	113.4	L592 I617 R621 Y638 L639 V640 K641	L592-T619 HydrophobicContact CD1-CG2 4.03Å; L592-T619 HydrophobicContact CG-CG2 4.27Å; I617-T619 HydrophobicContact CG2-CG2 3.66Å; T619-R621 VanDerWaalsContact C-N 3.3Å; T619-R621 HydrophobicContact CG2-CB 3.97Å; T619-R621 PolarHBondContact OG1-N 3.4Å; T619-Y638 HydrophobicContact CG2-CE1 3.75Å; T619-Y638 HydrophobicContact CG2-CE2 4.26Å; T619-Y638 VanDerWaalsContact CG2-CZ 3.44Å; T619-Y638 WeakPolarHBondContact CG2-OH 3.19Å; T619-L639 PolarHBondContact N-O 3.22Å; T619-L639 VanDerWaalsContact N-O 3.11Å; T619-V640 CarbonylContact O-C 3.49Å; T619-V640 VanDerWaalsContact O-CA 3.25Å; T619-V640 WeakPolarHBondContact O-CA 3.23Å; T619-K641 PolarHBondContact O-N 3.39Å
620	A	79.4	Confident	87.3	Confident	71 Å²	71	56.1 Å²	56.1	59%	0.587	30%	0.301	S	S	*	.	S	Bend	trans	-82.2	-6.3	170.7	0	0	0	0	0	113.2	D622	A620-D622 PolarHBondContact O-N 3.07Å
621	R	82.6	Confident	87.3	Confident	76 Å²	76	51 Å²	51	29%	0.287	28%	0.282	S	S	.	.			trans	-74.3	107	175.3	-60	-176	-166.6	177.6	3.2	109.8	D598 T619 D626 Y638	D598-R621 IonicContact OD1-NH1 2.72Å; D598-R621 PolarHBondContact OD1-NH1 2.95Å; D598-R621 IonicContact OD2-CZ 3.76Å; D598-R621 VanDerWaalsContact OD2-CZ 3.23Å; D598-R621 IonicContact OD2-NH1 3.48Å; D598-R621 PolarHBondContact OD2-NH1 3.06Å; D598-R621 IonicContact OD2-NH2 2.89Å; D598-R621 PolarHBondContact OD2-NH2 3.32Å; T619-R621 VanDerWaalsContact C-N 3.3Å; T619-R621 HydrophobicContact CG2-CB 3.97Å; T619-R621 PolarHBondContact OG1-N 3.4Å; R621-D626 HydrophobicContact CB-CB 4.03Å; R621-Y638 PolarHBondContact O-OH 3.5Å
622	D	83.4	Confident	87.2	Confident	117 Å²	117	54.5 Å²	54.5	63%	0.626	31%	0.305	S	S	*	.			trans	-107.8	-2.7	-168.2	69.6	-19.3	0	0	0	114.3	A620 V640	A620-D622 PolarHBondContact O-N 3.07Å; D622-V640 HydrophobicContact CB-CG1 3.57Å; D622-V640 HydrophobicContact CB-CG2 4.24Å
623	T	81.9	Confident	87.5	Confident	60 Å²	60	51.7 Å²	51.7	37%	0.368	29%	0.288	S	S	.	.			trans	-69.4	147	-177.9	80.5	0	0	0	0	111.3	T625 D626 K627	T623-T625 PolarHBondContact O-N 3.01Å; T623-D626 PolarHBondContact O-N 3.29Å; T623-D626 VanDerWaalsContact O-N 3.16Å; T623-D626 PolarHBondContact OG1-N 3.02Å; T623-D626 VanDerWaalsContact OG1-N 3.13Å; T623-D626 PolarHBondContact OG1-OD2 3.35Å; T623-K627 PolarHBondContact O-N 2.77Å
624	L	80.9	Confident	87.3	Confident	128 Å²	128	52.3 Å²	52.3	67%	0.67	30%	0.297	S	S	*	.	H	α-helix	trans	-55.8	-37.6	175.3	179.5	62.5	0	0	0	111.5	K627 I628	L624-K627 PolarHBondContact O-N 2.92Å; L624-I628 HydrophobicContact CD1-CD1 4.13Å; L624-I628 HydrophobicContact CD1-CG1 4.34Å; L624-I628 HydrophobicContact CG-CD1 3.9Å; L624-I628 VanDerWaalsContact O-CG1 3.29Å; L624-I628 WeakPolarHBondContact O-CG1 3.48Å; L624-I628 PolarHBondContact O-N 3.36Å
625	T	83.6	Confident	87.4	Confident	108 Å²	108	52.7 Å²	52.7	66%	0.663	30%	0.3	S	S	*	.	H	α-helix	trans	-62.8	-45.4	178	-48.3	0	0	0	0	111.8	T623 K627 I628 A629	T623-T625 PolarHBondContact O-N 3.01Å; T625-K627 VanDerWaalsContact C-N 3.33Å; T625-K627 PolarHBondContact O-N 3.36Å; T625-I628 PolarHBondContact O-N 3.07Å; T625-A629 WeakPolarHBondContact O-CB 3.13Å; T625-A629 PolarHBondContact O-N 2.94Å
626	D	86.5	Confident	87.3	Confident	42 Å²	42	55.8 Å²	55.8	23%	0.225	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-40.6	177.6	-66.2	-47	0	0	0	111.5	R621 T623 A629 G630	R621-D626 HydrophobicContact CB-CB 4.03Å; T623-D626 PolarHBondContact O-N 3.29Å; T623-D626 VanDerWaalsContact O-N 3.16Å; T623-D626 PolarHBondContact OG1-N 3.02Å; T623-D626 VanDerWaalsContact OG1-N 3.13Å; T623-D626 PolarHBondContact OG1-OD2 3.35Å; D626-A629 PolarHBondContact O-N 2.99Å; D626-G630 PolarHBondContact O-N 2.91Å
627	K	83.2	Confident	87.2	Confident	90 Å²	90	57.4 Å²	57.4	39%	0.391	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-45.9	177.7	-170.4	173.7	-173.1	175.5	0	112.1	T623 L624 T625 G630 L631 Y638	T623-K627 PolarHBondContact O-N 2.77Å; L624-K627 PolarHBondContact O-N 2.92Å; T625-K627 VanDerWaalsContact C-N 3.33Å; T625-K627 PolarHBondContact O-N 3.36Å; K627-G630 PolarHBondContact O-N 3.4Å; K627-L631 HydrophobicContact CG-CD1 4.38Å; K627-L631 WeakPolarHBondContact O-CG 3.25Å; K627-L631 PolarHBondContact O-N 3.13Å; K627-Y638 HydrophobicContact CB-CD1 4.43Å; K627-Y638 HydrophobicContact CB-CE1 4.37Å; K627-Y638 HydrophobicContact CD-CD1 4.43Å; K627-Y638 HydrophobicContact CG-CD1 3.97Å; K627-Y638 HydrophobicContact CG-CD2 4.24Å; K627-Y638 HydrophobicContact CG-CE1 4.4Å; K627-Y638 HydrophobicContact CG-CG 3.88Å
628	I	81.8	Confident	87.1	Confident	84 Å²	84	57.5 Å²	57.5	43%	0.431	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-48.6	175.6	-68.7	167.7	0	0	0	109.8	L624 T625 G630 L631 D632	L624-I628 HydrophobicContact CD1-CD1 4.13Å; L624-I628 HydrophobicContact CD1-CG1 4.34Å; L624-I628 HydrophobicContact CG-CD1 3.9Å; L624-I628 VanDerWaalsContact O-CG1 3.29Å; L624-I628 WeakPolarHBondContact O-CG1 3.48Å; L624-I628 PolarHBondContact O-N 3.36Å; T625-I628 PolarHBondContact O-N 3.07Å; I628-G630 VanDerWaalsContact C-N 3.34Å; I628-G630 PolarHBondContact O-N 3.36Å; I628-L631 PolarHBondContact O-N 3.4Å; I628-D632 WeakPolarHBondContact CG2-OD2 2.81Å; I628-D632 WeakPolarHBondContact O-CB 3.05Å; I628-D632 PolarHBondContact O-N 3.36Å
629	A	87.6	Confident	87.2	Confident	35 Å²	35	57.8 Å²	57.8	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-58.6	-43.1	179.8	0	0	0	0	0	112.5	L600 T625 D626 L631 V633	L600-A629 HydrophobicContact CD1-CB 4.39Å; T625-A629 WeakPolarHBondContact O-CB 3.13Å; T625-A629 PolarHBondContact O-N 2.94Å; D626-A629 PolarHBondContact O-N 2.99Å; A629-L631 PolarHBondContact O-N 3.3Å; A629-V633 WeakPolarHBondContact O-CB 3.24Å; A629-V633 WeakPolarHBondContact O-CG2 3.22Å; A629-V633 PolarHBondContact O-N 3.04Å; A629-V633 VanDerWaalsContact O-N 3.1Å
630	G	87.6	Confident	87.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-44	176.4	0	0	0	0	0	113.5	D626 K627 I628 A635	D626-G630 PolarHBondContact O-N 2.91Å; K627-G630 PolarHBondContact O-N 3.4Å; I628-G630 VanDerWaalsContact C-N 3.34Å; I628-G630 PolarHBondContact O-N 3.36Å; G630-A635 WeakPolarHBondContact O-CB 3.35Å; G630-A635 PolarHBondContact O-N 3.26Å; G630-A635 VanDerWaalsContact O-N 3.13Å
631	L	87.9	Confident	87.2	Confident	70 Å²	70	60 Å²	60	37%	0.366	33%	0.327	S	S	.	.	H	α-helix	trans	-70	-43.8	179.1	-66.2	171.4	0	0	0	111.9	K627 I628 A629 V633 G634	K627-L631 HydrophobicContact CG-CD1 4.38Å; K627-L631 WeakPolarHBondContact O-CG 3.25Å; K627-L631 PolarHBondContact O-N 3.13Å; I628-L631 PolarHBondContact O-N 3.4Å; A629-L631 PolarHBondContact O-N 3.3Å; L631-V633 VanDerWaalsContact C-N 3.31Å; L631-V633 PolarHBondContact O-N 2.85Å; L631-G634 PolarHBondContact O-N 2.85Å
632	D	88.2	Confident	86.5	Confident	132 Å²	132	62.8 Å²	62.8	71%	0.706	36%	0.355	S	S	*	.	H	α-helix	trans	-64.7	-32.8	179.8	-77.9	-18.1	0	0	0	112.9	I628 G634	I628-D632 WeakPolarHBondContact CG2-OD2 2.81Å; I628-D632 WeakPolarHBondContact O-CB 3.05Å; I628-D632 PolarHBondContact O-N 3.36Å; D632-G634 PolarHBondContact O-N 2.72Å
633	V	91.7	Very high	86.1	Confident	53 Å²	53	59.8 Å²	59.8	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-70.5	-19.5	175.6	173.1	0	0	0	0	112	L603 A604 A629 L631	L603-V633 HydrophobicContact CB-CG1 4.11Å; L603-V633 HydrophobicContact CD2-CB 4.28Å; L603-V633 HydrophobicContact CD2-CG1 3.93Å; L603-V633 HydrophobicContact CG-CG1 3.87Å; A604-V633 HydrophobicContact CB-CG1 3.78Å; A629-V633 WeakPolarHBondContact O-CB 3.24Å; A629-V633 WeakPolarHBondContact O-CG2 3.22Å; A629-V633 PolarHBondContact O-N 3.04Å; A629-V633 VanDerWaalsContact O-N 3.1Å; L631-V633 VanDerWaalsContact C-N 3.31Å; L631-V633 PolarHBondContact O-N 2.85Å
634	G	88.6	Confident	85.8	Confident	25 Å²	25	59.2 Å²	59.2	26%	0.258	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	120.9	22.4	172.2	0	0	0	0	0	115.1	R607 L631 D632	R607-G634 PolarHBondContact NE-O 2.81Å; R607-G634 PolarHBondContact NH2-O 3.22Å; L631-G634 PolarHBondContact O-N 2.85Å; D632-G634 PolarHBondContact O-N 2.72Å
635	A	94.8	Very high	85.4	Confident	9 Å²	9	56.9 Å²	56.9	7%	0.074	33%	0.326	C	S	.	.			trans	-72.5	144.3	165.3	0	0	0	0	0	110	L603 I617 G630	L603-A635 HydrophobicContact CD2-CB 3.84Å; I617-A635 HydrophobicContact CD1-CB 3.45Å; I617-A635 VanDerWaalsContact CD1-CB 3.45Å; I617-A635 HydrophobicContact CG1-CB 3.74Å; G630-A635 WeakPolarHBondContact O-CB 3.35Å; G630-A635 PolarHBondContact O-N 3.26Å; G630-A635 VanDerWaalsContact O-N 3.13Å
636	D	94.5	Very high	85	Confident	64 Å²	64	59.2 Å²	59.2	34%	0.342	33%	0.329	S	S	.	.	S	Bend	trans	-89.9	-22.9	-177.5	-61.7	-98.9	0	0	0	112.3	R607 P614 V615 L655	R607-D636 IonicContact NH2-OD2 2.81Å; R607-D636 PolarHBondContact NH2-OD2 2.95Å; P614-D636 VanDerWaalsContact CA-OD2 3.23Å; P614-D636 WeakPolarHBondContact CA-OD2 2.95Å; P614-D636 HydrophobicContact CB-CB 4.37Å; V615-D636 PolarHBondContact N-OD2 3.2Å; V615-D636 PolarHBondContact O-N 2.82Å; D636-L655 HydrophobicContact CB-CD2 3.5Å
637	D	94.8	Very high	84.9	Confident	35 Å²	35	60.9 Å²	60.9	19%	0.187	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	166.5	173.9	-163	6.7	0	0	0	110.6	V615 L616 I617 R651 L655	V615-D637 PolarHBondContact O-N 3.42Å; L616-D637 HydrophobicContact CD1-CB 3.71Å; I617-D637 PolarHBondContact N-O 3.21Å; D637-R651 VanDerWaalsContact CG-NH1 3.29Å; D637-R651 IonicContact OD1-NH1 3.23Å; D637-R651 PolarHBondContact OD1-NH1 3.38Å; D637-R651 WeakPolarHBondContact OD2-CD 3.37Å; D637-R651 WeakPolarHBondContact OD2-CG 3.45Å; D637-R651 IonicContact OD2-CZ 3.16Å; D637-R651 IonicContact OD2-NH1 2.92Å; D637-R651 PolarHBondContact OD2-NH1 2.85Å; D637-L655 HydrophobicContact CB-CD1 4.01Å; D637-L655 HydrophobicContact CB-CD2 4.14Å; D637-L655 HydrophobicContact CB-CG 4.37Å
638	Y	94	Very high	85.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	126.7	-174.2	-164	-70.7	0	0	0	111.4	L592 I617 T619 R621 K627 V640	L592-Y638 HydrophobicContact CD1-CE2 4.39Å; I617-Y638 HydrophobicContact CB-CD2 3.69Å; I617-Y638 HydrophobicContact CB-CE2 4.08Å; I617-Y638 HydrophobicContact CB-CG 4.16Å; I617-Y638 HydrophobicContact CD1-CD2 3.79Å; I617-Y638 HydrophobicContact CD1-CE2 3.99Å; I617-Y638 HydrophobicContact CG1-CD2 4.34Å; I617-Y638 HydrophobicContact CG2-CD2 3.65Å; I617-Y638 HydrophobicContact CG2-CE1 4.45Å; I617-Y638 HydrophobicContact CG2-CE2 3.51Å; I617-Y638 HydrophobicContact CG2-CG 4.19Å; T619-Y638 HydrophobicContact CG2-CE1 3.75Å; T619-Y638 HydrophobicContact CG2-CE2 4.26Å; T619-Y638 VanDerWaalsContact CG2-CZ 3.44Å; T619-Y638 WeakPolarHBondContact CG2-OH 3.19Å; R621-Y638 PolarHBondContact O-OH 3.5Å; K627-Y638 HydrophobicContact CB-CD1 4.43Å; K627-Y638 HydrophobicContact CB-CE1 4.37Å; K627-Y638 HydrophobicContact CD-CD1 4.43Å; K627-Y638 HydrophobicContact CG-CD1 3.97Å; K627-Y638 HydrophobicContact CG-CD2 4.24Å; K627-Y638 HydrophobicContact CG-CE1 4.4Å; K627-Y638 HydrophobicContact CG-CG 3.88Å; Y638-V640 HydrophobicContact CD1-CG2 4.2Å; Y638-V640 HydrophobicContact CE1-CG2 3.81Å
639	L	92.9	Very high	85.2	Confident	9 Å²	9	53.1 Å²	53.1	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.8	179.8	-176.1	60.4	0	0	0	111.2	L616 I617 L618 T619 F643 E647 L648	L616-L639 HydrophobicContact CD1-CB 4.26Å; I617-L639 PolarHBondContact O-N 3.36Å; L618-L639 WeakPolarHBondContact CA-O 3.49Å; L618-L639 HydrophobicContact CD1-CB 3.78Å; L618-L639 HydrophobicContact CD1-CD2 3.65Å; L618-L639 HydrophobicContact CD1-CG 3.72Å; T619-L639 PolarHBondContact N-O 3.22Å; T619-L639 VanDerWaalsContact N-O 3.11Å; L639-F643 HydrophobicContact CD1-CB 3.94Å; L639-F643 HydrophobicContact CD2-CB 3.86Å; L639-F643 HydrophobicContact CD2-CD1 4.32Å; L639-F643 HydrophobicContact CD2-CD2 3.82Å; L639-F643 HydrophobicContact CD2-CG 3.71Å; L639-F643 HydrophobicContact CG-CB 3.88Å; L639-F643 HydrophobicContact CG-CD1 4.4Å; L639-F643 HydrophobicContact CG-CG 4.05Å; L639-E647 HydrophobicContact CD1-CG 4.34Å; L639-E647 WeakPolarHBondContact CD1-OE1 3.37Å; L639-L648 HydrophobicContact CD2-CB 3.99Å; L639-L648 HydrophobicContact CD2-CD1 4.15Å
640	V	85.1	Confident	85	Confident	48 Å²	48	53.6 Å²	53.6	29%	0.291	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.6	-177	176.4	0	0	0	0	110.5	T619 D622 Y638 P642	T619-V640 CarbonylContact O-C 3.49Å; T619-V640 VanDerWaalsContact O-CA 3.25Å; T619-V640 WeakPolarHBondContact O-CA 3.23Å; D622-V640 HydrophobicContact CB-CG1 3.57Å; D622-V640 HydrophobicContact CB-CG2 4.24Å; Y638-V640 HydrophobicContact CD1-CG2 4.2Å; Y638-V640 HydrophobicContact CE1-CG2 3.81Å; V640-P642 CarbonylContact O-C 3.52Å
641	K	79.6	Confident	85.2	Confident	73 Å²	73	56.8 Å²	56.8	32%	0.317	31%	0.314	S	S	.	.	S	Bend	trans	-87.3	139.5	172.8	-59.9	-177.6	-170.8	176.7	0	111.3	D591 L618 T619 F643	D591-K641 IonicContact OD2-NZ 3.58Å; D591-K641 PolarHBondContact OD2-NZ 3.2Å; L618-K641 VanDerWaalsContact O-CE 3.31Å; L618-K641 WeakPolarHBondContact O-CE 3.42Å; T619-K641 PolarHBondContact O-N 3.39Å; K641-F643 HydrophobicContact CB-CD1 4.49Å; K641-F643 HydrophobicContact CG-CD1 3.97Å; K641-F643 HydrophobicContact CG-CE1 3.88Å
642	P	68.3	Low	85.3	Confident	134 Å²	134	53.9 Å²	53.9	87%	0.87	30%	0.299	S	S	*	.	S	Bend	cis	-77.2	153.4	-3.8	32.2	-34.4	0	0	0	112.7	V640	V640-P642 CarbonylContact O-C 3.52Å
643	F	75.7	Confident	85.1	Confident	55 Å²	55	51 Å²	51	24%	0.241	28%	0.279	C	S	.	.			trans	-138.4	158.2	-178.4	57.9	-89.1	0	0	0	111	L556 L618 L639 K641 L648	L556-F643 HydrophobicContact CD1-CZ 4.23Å; L618-F643 HydrophobicContact CD1-CD1 3.54Å; L618-F643 HydrophobicContact CD1-CE1 3.36Å; L618-F643 HydrophobicContact CD1-CE2 4.39Å; L618-F643 HydrophobicContact CD1-CG 4.19Å; L618-F643 HydrophobicContact CD1-CZ 3.84Å; L618-F643 HydrophobicContact CD2-CE1 3.75Å; L618-F643 HydrophobicContact CD2-CZ 3.67Å; L618-F643 HydrophobicContact CG-CD1 4.37Å; L618-F643 HydrophobicContact CG-CE1 3.75Å; L618-F643 HydrophobicContact CG-CZ 4.17Å; L639-F643 HydrophobicContact CD1-CB 3.94Å; L639-F643 HydrophobicContact CD2-CB 3.86Å; L639-F643 HydrophobicContact CD2-CD1 4.32Å; L639-F643 HydrophobicContact CD2-CD2 3.82Å; L639-F643 HydrophobicContact CD2-CG 3.71Å; L639-F643 HydrophobicContact CG-CB 3.88Å; L639-F643 HydrophobicContact CG-CD1 4.4Å; L639-F643 HydrophobicContact CG-CG 4.05Å; K641-F643 HydrophobicContact CB-CD1 4.49Å; K641-F643 HydrophobicContact CG-CD1 3.97Å; K641-F643 HydrophobicContact CG-CE1 3.88Å; F643-L648 HydrophobicContact CD2-CB 3.88Å; F643-L648 HydrophobicContact CE2-CB 3.74Å; F643-L648 HydrophobicContact CE2-CD2 3.62Å; F643-L648 HydrophobicContact CE2-CG 4.21Å; F643-L648 HydrophobicContact CZ-CD2 4.08Å
644	A	74	Confident	84.8	Confident	47 Å²	47	50.2 Å²	50.2	39%	0.388	28%	0.278	S	S	.	.			trans	-75.9	133.2	171.2	0	0	0	0	0	110.4	E646 E647 L648	A644-E646 PolarHBondContact O-N 2.65Å; A644-E647 HydrophobicContact CB-CB 4.28Å; A644-E647 WeakPolarHBondContact O-CB 3.25Å; A644-E647 PolarHBondContact O-N 3.12Å; A644-L648 PolarHBondContact O-N 2.79Å
645	L	72.6	Confident	84.9	Confident	80 Å²	80	49.5 Å²	49.5	42%	0.419	27%	0.268	S	S	.	.	H	α-helix	trans	-58.3	-35.3	-179.6	-170.1	72	0	0	0	112.1	A559 E647 L648 H649	A559-L645 HydrophobicContact CB-CD1 3.52Å; A559-L645 HydrophobicContact CB-CD2 3.68Å; A559-L645 HydrophobicContact CB-CG 4.13Å; L645-E647 VanDerWaalsContact C-N 3.33Å; L645-E647 PolarHBondContact O-N 2.76Å; L645-L648 HydrophobicContact CD1-CD2 4.32Å; L645-L648 WeakPolarHBondContact O-CB 3.44Å; L645-L648 PolarHBondContact O-N 2.77Å; L645-H649 PolarHBondContact O-CD2 3.42Å; L645-H649 VanDerWaalsContact O-CG 3.29Å; L645-H649 PolarHBondContact O-N 2.86Å
646	E	75.4	Confident	84.5	Confident	157 Å²	157	50.8 Å²	50.8	73%	0.734	27%	0.273	S	S	*	.	H	α-helix	trans	-61.9	-38.2	175.7	-60.1	160.3	160.2	0	0	112.5	A644 H649 A650	A644-E646 PolarHBondContact O-N 2.65Å; E646-H649 PolarHBondContact O-N 2.87Å; E646-A650 WeakPolarHBondContact O-CB 3.44Å; E646-A650 PolarHBondContact O-N 2.94Å
647	E	84.2	Confident	83.7	Confident	77 Å²	77	52.4 Å²	52.4	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-45.2	176.3	-174.5	-175.3	173.6	0	0	110.7	L639 A644 L645 H649 A650 R651	L639-E647 HydrophobicContact CD1-CG 4.34Å; L639-E647 WeakPolarHBondContact CD1-OE1 3.37Å; A644-E647 HydrophobicContact CB-CB 4.28Å; A644-E647 WeakPolarHBondContact O-CB 3.25Å; A644-E647 PolarHBondContact O-N 3.12Å; L645-E647 VanDerWaalsContact C-N 3.33Å; L645-E647 PolarHBondContact O-N 2.76Å; E647-H649 VanDerWaalsContact C-N 3.32Å; E647-H649 PolarHBondContact O-N 3.03Å; E647-A650 PolarHBondContact O-N 3.1Å; E647-R651 WeakPolarHBondContact O-CG 3.22Å; E647-R651 PolarHBondContact O-N 2.97Å; E647-R651 IonicContact OE1-CZ 2.94Å; E647-R651 VanDerWaalsContact OE1-CZ 3.3Å; E647-R651 IonicContact OE1-NE 3.54Å; E647-R651 PolarHBondContact OE1-NE 3.39Å; E647-R651 IonicContact OE1-NH2 3.52Å; E647-R651 PolarHBondContact OE1-NH2 2.74Å
648	L	86.9	Confident	82.9	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-56.1	-48.5	174.2	172.6	65.1	0	0	0	110.7	L556 L616 L618 L639 F643 A644 L645 A650 R651 I652	L556-L648 HydrophobicContact CD2-CD2 3.54Å; L556-L648 HydrophobicContact CG-CD2 4.29Å; L616-L648 HydrophobicContact CD2-CD1 3.5Å; L616-L648 VanDerWaalsContact CD2-CD1 3.5Å; L618-L648 HydrophobicContact CD1-CD1 4.44Å; L618-L648 HydrophobicContact CD2-CD1 4.41Å; L618-L648 HydrophobicContact CD2-CD2 4.49Å; L639-L648 HydrophobicContact CD2-CB 3.99Å; L639-L648 HydrophobicContact CD2-CD1 4.15Å; F643-L648 HydrophobicContact CD2-CB 3.88Å; F643-L648 HydrophobicContact CE2-CB 3.74Å; F643-L648 HydrophobicContact CE2-CD2 3.62Å; F643-L648 HydrophobicContact CE2-CG 4.21Å; F643-L648 HydrophobicContact CZ-CD2 4.08Å; A644-L648 PolarHBondContact O-N 2.79Å; L645-L648 HydrophobicContact CD1-CD2 4.32Å; L645-L648 WeakPolarHBondContact O-CB 3.44Å; L645-L648 PolarHBondContact O-N 2.77Å; L648-A650 VanDerWaalsContact C-N 3.35Å; L648-A650 PolarHBondContact O-N 3.04Å; L648-R651 PolarHBondContact O-N 2.88Å; L648-I652 HydrophobicContact CD1-CD1 3.95Å; L648-I652 HydrophobicContact CD1-CG1 4.28Å; L648-I652 HydrophobicContact CG-CD1 3.95Å; L648-I652 WeakPolarHBondContact O-CG1 3.48Å; L648-I652 PolarHBondContact O-N 3.42Å
649	H	84.1	Confident	82.2	Confident	9 Å²	9	63.4 Å²	63.4	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-40.1	178.7	-64.3	172.5	0	0	0	112.3	E563 L645 E646 E647 I652 R653	E563-H649 VanDerWaalsContact CD-ND1 3.29Å; E563-H649 WeakPolarHBondContact CG-CE1 3.41Å; E563-H649 WeakPolarHBondContact CG-ND1 2.92Å; E563-H649 IonicContact OE1-CE1 3.99Å; E563-H649 PolarHBondContact OE1-CE1 3.4Å; E563-H649 IonicContact OE1-CG 3.9Å; E563-H649 IonicContact OE1-ND1 2.7Å; E563-H649 PolarHBondContact OE1-ND1 2.93Å; L645-H649 PolarHBondContact O-CD2 3.42Å; L645-H649 VanDerWaalsContact O-CG 3.29Å; L645-H649 PolarHBondContact O-N 2.86Å; E646-H649 PolarHBondContact O-N 2.87Å; E647-H649 VanDerWaalsContact C-N 3.32Å; E647-H649 PolarHBondContact O-N 3.03Å; H649-I652 PolarHBondContact O-N 3.1Å; H649-R653 WeakPolarHBondContact O-CG 3.2Å; H649-R653 PolarHBondContact O-N 3.05Å
650	A	84.1	Confident	81.2	Confident	45 Å²	45	68 Å²	68	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-41.7	176.6	0	0	0	0	0	112.3	E646 E647 L648 R653 A654	E646-A650 WeakPolarHBondContact O-CB 3.44Å; E646-A650 PolarHBondContact O-N 2.94Å; E647-A650 PolarHBondContact O-N 3.1Å; L648-A650 VanDerWaalsContact C-N 3.35Å; L648-A650 PolarHBondContact O-N 3.04Å; A650-R653 PolarHBondContact O-N 3.4Å; A650-A654 WeakPolarHBondContact O-CB 3.44Å; A650-A654 PolarHBondContact O-N 2.78Å
651	R	91.1	Very high	80.1	Confident	66 Å²	66	73.1 Å²	73.1	25%	0.249	37%	0.367	C	S	.	.	H	α-helix	trans	-66.1	-44.3	176.5	-70.2	175.5	-178.4	-82.1	3.6	112	L616 D637 E647 L648 R653 A654 L655	L616-R651 HydrophobicContact CD2-CB 4.25Å; D637-R651 VanDerWaalsContact CG-NH1 3.29Å; D637-R651 IonicContact OD1-NH1 3.23Å; D637-R651 PolarHBondContact OD1-NH1 3.38Å; D637-R651 WeakPolarHBondContact OD2-CD 3.37Å; D637-R651 WeakPolarHBondContact OD2-CG 3.45Å; D637-R651 IonicContact OD2-CZ 3.16Å; D637-R651 IonicContact OD2-NH1 2.92Å; D637-R651 PolarHBondContact OD2-NH1 2.85Å; E647-R651 WeakPolarHBondContact O-CG 3.22Å; E647-R651 PolarHBondContact O-N 2.97Å; E647-R651 IonicContact OE1-CZ 2.94Å; E647-R651 VanDerWaalsContact OE1-CZ 3.3Å; E647-R651 IonicContact OE1-NE 3.54Å; E647-R651 PolarHBondContact OE1-NE 3.39Å; E647-R651 IonicContact OE1-NH2 3.52Å; E647-R651 PolarHBondContact OE1-NH2 2.74Å; L648-R651 PolarHBondContact O-N 2.88Å; R651-R653 PolarHBondContact O-N 2.9Å; R651-A654 PolarHBondContact O-N 2.8Å; R651-L655 WeakPolarHBondContact O-CB 3.29Å; R651-L655 WeakPolarHBondContact O-CG 3.47Å; R651-L655 PolarHBondContact O-N 3.45Å
652	I	91.1	Very high	78.9	Confident	10 Å²	10	73 Å²	73	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-57.4	-48.9	173.7	-68.5	169.4	0	0	0	110.6	Y565 L587 V589 L616 L648 H649 A654 L655 L656	Y565-I652 HydrophobicContact CE1-CG2 4.08Å; Y565-I652 HydrophobicContact CE2-CG2 3.95Å; L587-I652 HydrophobicContact CD1-CG2 4.28Å; L587-I652 HydrophobicContact CD2-CG1 4.3Å; V589-I652 HydrophobicContact CG2-CD1 4.18Å; V589-I652 HydrophobicContact CG2-CG1 4.44Å; L616-I652 HydrophobicContact CD2-CG1 4.14Å; L648-I652 HydrophobicContact CD1-CD1 3.95Å; L648-I652 HydrophobicContact CD1-CG1 4.28Å; L648-I652 HydrophobicContact CG-CD1 3.95Å; L648-I652 WeakPolarHBondContact O-CG1 3.48Å; L648-I652 PolarHBondContact O-N 3.42Å; H649-I652 PolarHBondContact O-N 3.1Å; I652-A654 VanDerWaalsContact C-N 3.35Å; I652-A654 PolarHBondContact O-N 3.05Å; I652-L655 PolarHBondContact O-N 2.82Å; I652-L656 HydrophobicContact CG2-CD1 3.87Å; I652-L656 HydrophobicContact CG2-CG 4.45Å; I652-L656 WeakPolarHBondContact O-CG 3.37Å; I652-L656 PolarHBondContact O-N 3.14Å
653	R	84.2	Confident	78.1	Confident	72 Å²	72	70.3 Å²	70.3	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-44.2	176.7	-74.9	-171.2	-64.6	-99.1	1	112.2	E563 Y565 H649 A650 R651 R657	E563-R653 IonicContact OE2-NH1 2.89Å; Y565-R653 WeakPolarHBondContact OH-CG 3.36Å; H649-R653 WeakPolarHBondContact O-CG 3.2Å; H649-R653 PolarHBondContact O-N 3.05Å; A650-R653 PolarHBondContact O-N 3.4Å; R651-R653 PolarHBondContact O-N 2.9Å; R653-R657 VanDerWaalsContact O-CB 3.27Å; R653-R657 WeakPolarHBondContact O-CB 3.19Å; R653-R657 PolarHBondContact O-N 3.29Å
654	A	84.7	Confident	76.9	Confident	36 Å²	36	75.4 Å²	75.4	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-64.1	-42.2	-179.9	0	0	0	0	0	112.2	A650 R651 I652 R658	A650-A654 WeakPolarHBondContact O-CB 3.44Å; A650-A654 PolarHBondContact O-N 2.78Å; R651-A654 PolarHBondContact O-N 2.8Å; I652-A654 VanDerWaalsContact C-N 3.35Å; I652-A654 PolarHBondContact O-N 3.05Å; A654-R658 WeakPolarHBondContact O-CB 3.32Å; A654-R658 PolarHBondContact O-N 3.08Å
655	L	90.4	Very high	76.4	Confident	10 Å²	10	76.2 Å²	76.2	5%	0.052	39%	0.392	C	S	.	.	H	α-helix	trans	-65.5	-48.2	177.6	-74.8	172.9	0	0	0	112.4	L587 P614 L616 D636 D637 R651 I652 R657 R658 H659	L587-L655 HydrophobicContact CD1-CB 3.57Å; L587-L655 HydrophobicContact CD1-CD1 3.78Å; L587-L655 HydrophobicContact CD1-CG 4.35Å; P614-L655 HydrophobicContact CB-CB 4.14Å; P614-L655 HydrophobicContact CB-CD2 4.33Å; L616-L655 HydrophobicContact CB-CD1 3.75Å; D636-L655 HydrophobicContact CB-CD2 3.5Å; D637-L655 HydrophobicContact CB-CD1 4.01Å; D637-L655 HydrophobicContact CB-CD2 4.14Å; D637-L655 HydrophobicContact CB-CG 4.37Å; R651-L655 WeakPolarHBondContact O-CB 3.29Å; R651-L655 WeakPolarHBondContact O-CG 3.47Å; R651-L655 PolarHBondContact O-N 3.45Å; I652-L655 PolarHBondContact O-N 2.82Å; L655-R657 VanDerWaalsContact C-N 3.31Å; L655-R657 PolarHBondContact O-N 2.85Å; L655-R658 PolarHBondContact O-N 3.39Å; L655-H659 WeakPolarHBondContact O-CB 3.38Å; L655-H659 PolarHBondContact O-N 3.19Å
656	L	86.3	Confident	76.4	Confident	36 Å²	36	76.9 Å²	76.9	19%	0.188	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-40.3	177.1	-71.6	172.8	0	0	0	111.9	Y565 S586 L587 I652 N660	Y565-L656 HydrophobicContact CD1-CD1 4.33Å; Y565-L656 HydrophobicContact CE1-CD1 3.68Å; S586-L656 WeakPolarHBondContact O-CD2 3.31Å; L587-L656 HydrophobicContact CB-CD2 3.87Å; L587-L656 HydrophobicContact CB-CG 4.46Å; L587-L656 HydrophobicContact CD1-CD2 4.44Å; L587-L656 HydrophobicContact CD1-CG 4.22Å; I652-L656 HydrophobicContact CG2-CD1 3.87Å; I652-L656 HydrophobicContact CG2-CG 4.45Å; I652-L656 WeakPolarHBondContact O-CG 3.37Å; I652-L656 PolarHBondContact O-N 3.14Å; L656-N660 PolarHBondContact O-N 3.31Å; L656-N660 PolarHBondContact O-ND2 3.34Å
657	R	77.8	Confident	76.5	Confident	97 Å²	97	71 Å²	71	37%	0.366	37%	0.367	S	S	.	.	H	α-helix	trans	-63.9	-47.9	175.7	180	177.6	69	-106.5	-1.7	111.8	R653 L655 H659 N660 Q662	R653-R657 VanDerWaalsContact O-CB 3.27Å; R653-R657 WeakPolarHBondContact O-CB 3.19Å; R653-R657 PolarHBondContact O-N 3.29Å; L655-R657 VanDerWaalsContact C-N 3.31Å; L655-R657 PolarHBondContact O-N 2.85Å; R657-H659 PolarHBondContact O-N 2.75Å; R657-N660 PolarHBondContact O-N 3.47Å; R657-Q662 WeakPolarHBondContact CD-O 3.49Å; R657-Q662 HydrophobicContact CG-CB 4.42Å; R657-Q662 WeakPolarHBondContact CG-O 3.47Å; R657-Q662 PolarHBondContact O-N 2.02Å
658	R	79.3	Confident	76.4	Confident	185 Å²	185	72.8 Å²	72.8	70%	0.698	38%	0.378	S	S	*	.	H	α-helix	trans	-62	-42.2	179.6	-174.5	179.6	-177.8	-174.4	-0.3	111.7	A654 L655 N660 N661	A654-R658 WeakPolarHBondContact O-CB 3.32Å; A654-R658 PolarHBondContact O-N 3.08Å; L655-R658 PolarHBondContact O-N 3.39Å; R658-N660 VanDerWaalsContact C-N 3.32Å; R658-N660 PolarHBondContact O-N 2.78Å; R658-N661 PolarHBondContact O-N 3.04Å
659	H	79.2	Confident	76.2	Confident	83 Å²	83	75.1 Å²	75.1	38%	0.384	39%	0.392	S	S	.	.	H	α-helix	trans	-66.7	-32.3	-179.3	-167	69.4	0	0	0	112.9	T612 P614 L655 R657 N661	T612-H659 PolarHBondContact O-CE1 2.99Å; P614-H659 HydrophobicContact CG-CB 4.13Å; L655-H659 WeakPolarHBondContact O-CB 3.38Å; L655-H659 PolarHBondContact O-N 3.19Å; R657-H659 PolarHBondContact O-N 2.75Å; H659-N661 VanDerWaalsContact C-N 3.28Å; H659-N661 PolarHBondContact O-N 3.11Å
660	N	71.9	Confident	76.2	Confident	107 Å²	107	77.9 Å²	77.9	57%	0.572	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	10.3	177.2	-72.1	-34.1	0	0	0	114.5	L656 R657 R658 Q662	L656-N660 PolarHBondContact O-N 3.31Å; L656-N660 PolarHBondContact O-ND2 3.34Å; R657-N660 PolarHBondContact O-N 3.47Å; R658-N660 VanDerWaalsContact C-N 3.32Å; R658-N660 PolarHBondContact O-N 2.78Å; N660-Q662 VanDerWaalsContact C-N 3.25Å; N660-Q662 PolarHBondContact O-N 2.86Å
661	N	60.6	Low	76.2	Confident	154 Å²	154	81.8 Å²	81.8	82%	0.824	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	29.7	-178.4	-73.5	-24.6	0	0	0	115.1	R658 H659	R658-N661 PolarHBondContact O-N 3.04Å; H659-N661 VanDerWaalsContact C-N 3.28Å; H659-N661 PolarHBondContact O-N 3.11Å
662	Q	54.4	Low	76	Confident	70 Å²	70	79.9 Å²	79.9	33%	0.327	43%	0.432	S	S	.	.			trans	-102.9	100	175.8	-69.3	-173	-18.4	0	0	110.2	R657 N660 L703	R657-Q662 WeakPolarHBondContact CD-O 3.49Å; R657-Q662 HydrophobicContact CG-CB 4.42Å; R657-Q662 WeakPolarHBondContact CG-O 3.47Å; R657-Q662 PolarHBondContact O-N 2.02Å; N660-Q662 VanDerWaalsContact C-N 3.25Å; N660-Q662 PolarHBondContact O-N 2.86Å; Q662-L703 VanDerWaalsContact NE2-CD2 3.28Å
663	G	51.1	Low	75.8	Confident	79 Å²	79	81 Å²	81	81%	0.814	44%	0.439	S	S	*	.			trans	-75.1	-17.4	-177.3	0	0	0	0	0	115.3
664	E	51.5	Low	75.9	Confident	161 Å²	161	77.6 Å²	77.6	75%	0.752	43%	0.426	S	S	*	.			trans	-104.3	139.2	-173.8	-66.2	-177.7	171.3	0	0	111.8	E666	E664-E666 PolarHBondContact O-N 2.81Å
665	S	62.5	Low	75.7	Confident	65 Å²	65	76.6 Å²	76.6	46%	0.455	42%	0.416	S	S	.	.	S	Bend	trans	-74.3	-13.6	-179.5	-60.2	0	0	0	0	113.6	M676	S665-M676 PolarHBondContact O-N 3.43Å
666	E	72.6	Confident	74.8	Confident	93 Å²	93	79.8 Å²	79.8	44%	0.435	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.6	-175.4	-67.2	-176.3	167.4	0	0	110.2	E664 T673 L674 N675	E664-E666 PolarHBondContact O-N 2.81Å; E666-T673 HydrophobicContact CB-CG2 4.44Å; E666-L674 CarbonylContact C-O 3.46Å; E666-L674 VanDerWaalsContact CA-O 3.3Å; E666-L674 WeakPolarHBondContact CA-O 3.22Å; E666-N675 HydrophobicContact CG-CB 4.16Å; E666-N675 PolarHBondContact OE1-ND2 2.83Å
667	L	78.1	Confident	73.8	Confident	35 Å²	35	80.2 Å²	80.2	18%	0.183	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.8	179.1	-174.6	78.5	0	0	0	108.6	L674 M702 L703	L667-L674 HydrophobicContact CB-CB 4.21Å; L667-L674 HydrophobicContact CB-CD2 4.14Å; L667-L674 HydrophobicContact CD2-CD2 3.84Å; L667-L674 PolarHBondContact N-O 3.41Å; L667-L674 PolarHBondContact O-N 3.38Å; L667-M702 HydrophobicContact CD2-CB 3.57Å; L667-M702 VanDerWaalsContact O-CE 3.23Å; L667-M702 WeakPolarHBondContact O-CE 3.24Å; L667-L703 HydrophobicContact CD2-CD2 4.01Å; L667-L703 HydrophobicContact CD2-CG 4.15Å
668	I	82.1	Confident	73.6	Confident	114 Å²	114	84 Å²	84	59%	0.585	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.4	-175.6	-56.7	172.8	0	0	0	110	L672 T673	I668-L672 CarbonylContact C-O 3.45Å; I668-L672 WeakPolarHBondContact CA-O 3.48Å; I668-T673 HydrophobicContact CG1-CG2 4.09Å
669	V	83.7	Confident	73.3	Confident	51 Å²	51	79.8 Å²	79.8	31%	0.309	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	100.5	174.9	-177.3	0	0	0	0	109	N671 L672 M702 A705	V669-N671 PolarHBondContact O-N 3.14Å; V669-L672 PolarHBondContact N-O 2.91Å; V669-L672 WeakPolarHBondContact O-CB 3.46Å; V669-L672 PolarHBondContact O-N 2.93Å; V669-L672 VanDerWaalsContact O-N 3.08Å; V669-M702 HydrophobicContact CB-CE 4.08Å; V669-M702 HydrophobicContact CG2-CB 4.01Å; V669-M702 HydrophobicContact CG2-CE 3.95Å; V669-M702 HydrophobicContact CG2-CG 4.21Å; V669-A705 HydrophobicContact CB-CB 4.42Å; V669-A705 HydrophobicContact CG1-CB 3.74Å; V669-A705 HydrophobicContact CG2-CB 3.7Å
670	G	83.4	Confident	73.5	Confident	67 Å²	67	78 Å²	78	69%	0.691	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	-124.9	-174.2	0	0	0	0	0	111.1	L672	G670-L672 VanDerWaalsContact C-N 3.27Å; G670-L672 PolarHBondContact O-N 3.19Å
671	N	83.7	Confident	74.2	Confident	126 Å²	126	72.9 Å²	72.9	67%	0.674	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.4	178.2	-64.3	-3.2	0	0	0	113.3	V669 M683 G684	V669-N671 PolarHBondContact O-N 3.14Å; N671-M683 CarbonylContact O-C 3.37Å; N671-M683 VanDerWaalsContact O-CA 3.3Å; N671-M683 WeakPolarHBondContact O-CA 3.17Å; N671-G684 PolarHBondContact O-N 3Å
672	L	87.3	Confident	75.4	Confident	26 Å²	26	68.1 Å²	68.1	14%	0.136	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.8	-178.8	-67.9	166.5	0	0	0	111	I668 V669 G670 V681 W682 M683 L688 L698 M702 L741	I668-L672 CarbonylContact C-O 3.45Å; I668-L672 WeakPolarHBondContact CA-O 3.48Å; V669-L672 PolarHBondContact N-O 2.91Å; V669-L672 WeakPolarHBondContact O-CB 3.46Å; V669-L672 PolarHBondContact O-N 2.93Å; V669-L672 VanDerWaalsContact O-N 3.08Å; G670-L672 VanDerWaalsContact C-N 3.27Å; G670-L672 PolarHBondContact O-N 3.19Å; L672-V681 HydrophobicContact CD2-CG1 4.15Å; L672-W682 CarbonylContact C-O 3.53Å; L672-W682 VanDerWaalsContact CA-O 3.29Å; L672-W682 WeakPolarHBondContact CA-O 3.39Å; L672-M683 HydrophobicContact CD2-CB 3.85Å; L672-M683 HydrophobicContact CD2-CG 4.13Å; L672-M683 HydrophobicContact CD2-SD 4.14Å; L672-L688 HydrophobicContact CD2-CD1 3.67Å; L672-L698 HydrophobicContact CD1-CD1 4.32Å; L672-M702 HydrophobicContact CB-CE 3.84Å; L672-M702 HydrophobicContact CB-SD 4.23Å; L672-L741 HydrophobicContact CD1-CD2 4.05Å; L672-L741 HydrophobicContact CD2-CD2 3.69Å; L672-L741 HydrophobicContact CG-CD2 4.44Å
673	T	87.6	Confident	76.8	Confident	34 Å²	34	66.2 Å²	66.2	21%	0.209	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.8	171.9	-56.8	0	0	0	0	108.4	E666 I668 V681 W682	E666-T673 HydrophobicContact CB-CG2 4.44Å; I668-T673 HydrophobicContact CG1-CG2 4.09Å; T673-V681 CarbonylContact O-C 3.59Å; T673-V681 VanDerWaalsContact O-CA 3.32Å; T673-V681 WeakPolarHBondContact O-CA 3.18Å; T673-W682 HydrophobicContact CG2-CE3 4.48Å; T673-W682 PolarHBondContact N-O 3.06Å; T673-W682 PolarHBondContact O-N 3.09Å
674	L	84.8	Confident	78.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.5	178.3	169.3	82.7	0	0	0	108.6	E666 L667 M676 V681 Y695 M702	E666-L674 CarbonylContact C-O 3.46Å; E666-L674 VanDerWaalsContact CA-O 3.3Å; E666-L674 WeakPolarHBondContact CA-O 3.22Å; L667-L674 HydrophobicContact CB-CB 4.21Å; L667-L674 HydrophobicContact CB-CD2 4.14Å; L667-L674 HydrophobicContact CD2-CD2 3.84Å; L667-L674 PolarHBondContact N-O 3.41Å; L667-L674 PolarHBondContact O-N 3.38Å; L674-M676 HydrophobicContact CD2-CG 4.12Å; L674-M676 HydrophobicContact CD2-SD 3.72Å; L674-M676 HydrophobicContact CG-CG 4.39Å; L674-M676 HydrophobicContact CG-SD 4.37Å; L674-V681 HydrophobicContact CD1-CG2 3.53Å; L674-Y695 HydrophobicContact CD1-CD2 4.22Å; L674-Y695 HydrophobicContact CD1-CE2 3.35Å; L674-M702 HydrophobicContact CB-CE 3.61Å; L674-M702 HydrophobicContact CB-SD 3.8Å; L674-M702 HydrophobicContact CD2-SD 4.42Å
675	N	80.7	Confident	79.4	Confident	15 Å²	15	61.2 Å²	61.2	8%	0.08	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	109.2	168	-171	-56.7	0	0	0	109	E666 G677 R678 R679 Q680 W682	E666-N675 HydrophobicContact CG-CB 4.16Å; E666-N675 PolarHBondContact OE1-ND2 2.83Å; N675-G677 PolarHBondContact O-N 3.15Å; N675-G677 WeakPolarHBondContact OD1-CA 3.26Å; N675-G677 PolarHBondContact OD1-N 3.37Å; N675-R678 PolarHBondContact OD1-N 3.03Å; N675-R679 PolarHBondContact O-N 3.46Å; N675-R679 VanDerWaalsContact O-N 3.1Å; N675-Q680 PolarHBondContact N-O 3.38Å; N675-Q680 PolarHBondContact O-N 3.02Å; N675-W682 HydrophobicContact CB-CH2 3.95Å; N675-W682 HydrophobicContact CB-CZ3 3.48Å; N675-W682 VanDerWaalsContact CB-CZ3 3.48Å
676	M	71.4	Confident	80	Confident	77 Å²	77	62.6 Å²	62.6	38%	0.379	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.4	-179.2	-69.1	-82.7	-84	0	0	112.1	S665 L674	S665-M676 PolarHBondContact O-N 3.43Å; L674-M676 HydrophobicContact CD2-CG 4.12Å; L674-M676 HydrophobicContact CD2-SD 3.72Å; L674-M676 HydrophobicContact CG-CG 4.39Å; L674-M676 HydrophobicContact CG-SD 4.37Å
677	G	65.6	Low	80.6	Confident	46 Å²	46	63 Å²	63	47%	0.474	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-41.1	-179.1	0	0	0	0	0	113.4	N675	N675-G677 PolarHBondContact O-N 3.15Å; N675-G677 WeakPolarHBondContact OD1-CA 3.26Å; N675-G677 PolarHBondContact OD1-N 3.37Å
678	R	73.8	Confident	80.9	Confident	175 Å²	175	62 Å²	62	66%	0.66	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.3	179.6	-63.8	-174	-178.3	153.4	0.1	114.5	N675 Q680	N675-R678 PolarHBondContact OD1-N 3.03Å; R678-Q680 HydrophobicContact CB-CB 4.2Å; R678-Q680 HydrophobicContact CB-CG 3.84Å; R678-Q680 PolarHBondContact O-N 3.35Å
679	R	73.9	Confident	80.9	Confident	98 Å²	98	63.5 Å²	63.5	37%	0.37	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	34.2	-167.2	-61.7	-173.8	-174.4	-135.5	-9	113.9	E563 N675 Y695	E563-R679 PolarHBondContact O-NH1 2.95Å; E563-R679 PolarHBondContact O-NH2 3.43Å; E563-R679 IonicContact OE2-CZ 2.69Å; E563-R679 IonicContact OE2-NE 3.53Å; E563-R679 IonicContact OE2-NH2 3.48Å; E563-R679 PolarHBondContact OE2-NH2 2.95Å; N675-R679 PolarHBondContact O-N 3.46Å; N675-R679 VanDerWaalsContact O-N 3.1Å; R679-Y695 HydrophobicContact CB-CE1 4.36Å; R679-Y695 HydrophobicContact CB-CE2 4.02Å; R679-Y695 HydrophobicContact CG-CE1 4.14Å
680	Q	83.8	Confident	80.9	Confident	44 Å²	44	62.5 Å²	62.5	21%	0.206	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.7	-179.5	-69.2	-179.5	-50	0	0	109.4	N675 R678 W682 E687	N675-Q680 PolarHBondContact N-O 3.38Å; N675-Q680 PolarHBondContact O-N 3.02Å; R678-Q680 HydrophobicContact CB-CB 4.2Å; R678-Q680 HydrophobicContact CB-CG 3.84Å; R678-Q680 PolarHBondContact O-N 3.35Å; Q680-W682 HydrophobicContact CB-CE3 4.19Å; Q680-W682 HydrophobicContact CB-CH2 3.15Å; Q680-W682 HydrophobicContact CB-CZ2 3.65Å; Q680-W682 HydrophobicContact CB-CZ3 3.43Å; Q680-W682 VanDerWaalsContact CB-CZ3 3.43Å; Q680-W682 HydrophobicContact CG-CH2 4.08Å; Q680-W682 HydrophobicContact CG-CZ2 4.31Å; Q680-W682 WeakPolarHBondContact O-CZ3 3.48Å; Q680-W682 VanDerWaalsContact OE1-CH2 3.23Å; Q680-W682 VanDerWaalsContact OE1-CZ2 3.31Å; Q680-E687 VanDerWaalsContact CG-OE1 3.29Å; Q680-E687 WeakPolarHBondContact CG-OE1 3.36Å; Q680-E687 VanDerWaalsContact NE2-CD 3.34Å; Q680-E687 PolarHBondContact NE2-OE1 3.44Å; Q680-E687 PolarHBondContact NE2-OE2 3.21Å
681	V	86.3	Confident	80.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.6	174.9	-176.9	0	0	0	0	106.6	L672 T673 L674 E687 L688 L690 Y695 L698	L672-V681 HydrophobicContact CD2-CG1 4.15Å; T673-V681 CarbonylContact O-C 3.59Å; T673-V681 VanDerWaalsContact O-CA 3.32Å; T673-V681 WeakPolarHBondContact O-CA 3.18Å; L674-V681 HydrophobicContact CD1-CG2 3.53Å; V681-E687 CarbonylContact O-C 3.56Å; V681-E687 WeakPolarHBondContact O-CA 3.35Å; V681-L688 HydrophobicContact CB-CB 4.16Å; V681-L688 HydrophobicContact CB-CD1 4.5Å; V681-L688 HydrophobicContact CG1-CB 4.34Å; V681-L688 HydrophobicContact CG1-CD1 3.79Å; V681-L688 PolarHBondContact O-N 3.44Å; V681-L690 HydrophobicContact CB-CD1 4.24Å; V681-L690 HydrophobicContact CG2-CD1 3.8Å; V681-Y695 HydrophobicContact CG2-CD2 3.94Å; V681-Y695 HydrophobicContact CG2-CE2 3.96Å; V681-L698 HydrophobicContact CG1-CD2 3.79Å; V681-L698 HydrophobicContact CG2-CD2 4.16Å
682	W	86.2	Confident	80.5	Confident	53 Å²	53	61 Å²	61	20%	0.201	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.5	171.7	-64.6	-97.4	0	0	0	109.9	L672 T673 N675 Q680 E686	L672-W682 CarbonylContact C-O 3.53Å; L672-W682 VanDerWaalsContact CA-O 3.29Å; L672-W682 WeakPolarHBondContact CA-O 3.39Å; T673-W682 HydrophobicContact CG2-CE3 4.48Å; T673-W682 PolarHBondContact N-O 3.06Å; T673-W682 PolarHBondContact O-N 3.09Å; N675-W682 HydrophobicContact CB-CH2 3.95Å; N675-W682 HydrophobicContact CB-CZ3 3.48Å; N675-W682 VanDerWaalsContact CB-CZ3 3.48Å; Q680-W682 HydrophobicContact CB-CE3 4.19Å; Q680-W682 HydrophobicContact CB-CH2 3.15Å; Q680-W682 HydrophobicContact CB-CZ2 3.65Å; Q680-W682 HydrophobicContact CB-CZ3 3.43Å; Q680-W682 VanDerWaalsContact CB-CZ3 3.43Å; Q680-W682 HydrophobicContact CG-CH2 4.08Å; Q680-W682 HydrophobicContact CG-CZ2 4.31Å; Q680-W682 WeakPolarHBondContact O-CZ3 3.48Å; Q680-W682 VanDerWaalsContact OE1-CH2 3.23Å; Q680-W682 VanDerWaalsContact OE1-CZ2 3.31Å; W682-E686 CarbonylContact C-O 3.51Å; W682-E686 WeakPolarHBondContact CA-O 3.23Å
683	M	83.1	Confident	80.1	Confident	31 Å²	31	64 Å²	64	15%	0.153	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	111.6	169.4	-178.9	160.5	43.9	0	0	109.2	N671 L672 G685 E686 L688 L741 V744	N671-M683 CarbonylContact O-C 3.37Å; N671-M683 VanDerWaalsContact O-CA 3.3Å; N671-M683 WeakPolarHBondContact O-CA 3.17Å; L672-M683 HydrophobicContact CD2-CB 3.85Å; L672-M683 HydrophobicContact CD2-CG 4.13Å; L672-M683 HydrophobicContact CD2-SD 4.14Å; M683-G685 PolarHBondContact O-N 2.96Å; M683-G685 VanDerWaalsContact O-N 3.11Å; M683-E686 PolarHBondContact N-O 3.28Å; M683-E686 PolarHBondContact O-N 3.41Å; M683-L688 HydrophobicContact CB-CD1 3.64Å; M683-L688 HydrophobicContact CB-CG 4.12Å; M683-L688 HydrophobicContact CE-CD1 3.91Å; M683-L688 HydrophobicContact CE-CD2 3.83Å; M683-L688 HydrophobicContact CE-CG 4.17Å; M683-L741 HydrophobicContact CE-CD2 4.05Å; M683-L741 WeakPolarHBondContact CE-O 3.42Å; M683-L741 HydrophobicContact SD-CD2 4.05Å; M683-V744 HydrophobicContact CE-CB 3.44Å; M683-V744 VanDerWaalsContact CE-CB 3.44Å; M683-V744 HydrophobicContact CE-CG1 3.9Å; M683-V744 HydrophobicContact CE-CG2 3.5Å; M683-V744 VanDerWaalsContact CE-CG2 3.5Å
684	G	78.2	Confident	79.9	Confident	69 Å²	69	62.6 Å²	62.6	71%	0.711	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	21.1	-179.7	0	0	0	0	0	114.9	N671	N671-G684 PolarHBondContact O-N 3Å
685	G	77.9	Confident	79.9	Confident	65 Å²	65	63.7 Å²	63.7	67%	0.67	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.9	-14.9	-179.2	0	0	0	0	0	115.1	M683	M683-G685 PolarHBondContact O-N 2.96Å; M683-G685 VanDerWaalsContact O-N 3.11Å
686	E	75.9	Confident	79.8	Confident	94 Å²	94	64.8 Å²	64.8	44%	0.439	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.2	174.6	-70.8	-166.5	162.9	0	0	111.7	W682 M683	W682-E686 CarbonylContact C-O 3.51Å; W682-E686 WeakPolarHBondContact CA-O 3.23Å; M683-E686 PolarHBondContact N-O 3.28Å; M683-E686 PolarHBondContact O-N 3.41Å
687	E	84.4	Confident	80.5	Confident	102 Å²	102	61.2 Å²	61.2	48%	0.477	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.4	178.3	-172.4	176	175.8	0	0	111.4	Q680 V681	Q680-E687 VanDerWaalsContact CG-OE1 3.29Å; Q680-E687 WeakPolarHBondContact CG-OE1 3.36Å; Q680-E687 VanDerWaalsContact NE2-CD 3.34Å; Q680-E687 PolarHBondContact NE2-OE1 3.44Å; Q680-E687 PolarHBondContact NE2-OE2 3.21Å; V681-E687 CarbonylContact O-C 3.56Å; V681-E687 WeakPolarHBondContact O-CA 3.35Å
688	L	84.6	Confident	81.5	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.073	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.4	175.7	-83.8	164.1	0	0	0	110.7	L672 V681 M683 L690 L741 V744	L672-L688 HydrophobicContact CD2-CD1 3.67Å; V681-L688 HydrophobicContact CB-CB 4.16Å; V681-L688 HydrophobicContact CB-CD1 4.5Å; V681-L688 HydrophobicContact CG1-CB 4.34Å; V681-L688 HydrophobicContact CG1-CD1 3.79Å; V681-L688 PolarHBondContact O-N 3.44Å; M683-L688 HydrophobicContact CB-CD1 3.64Å; M683-L688 HydrophobicContact CB-CG 4.12Å; M683-L688 HydrophobicContact CE-CD1 3.91Å; M683-L688 HydrophobicContact CE-CD2 3.83Å; M683-L688 HydrophobicContact CE-CG 4.17Å; L688-L690 HydrophobicContact CB-CG 4.47Å; L688-L690 PolarHBondContact O-N 3.46Å; L688-L741 HydrophobicContact CD1-CD2 4Å; L688-V744 HydrophobicContact CD2-CG2 3.69Å
689	I	83.7	Confident	81.9	Confident	145 Å²	145	51.7 Å²	51.7	74%	0.744	30%	0.295	S	S	*	.			trans	-81.5	105.7	175.3	-55.2	175.5	0	0	0	110	K740	I689-K740 PolarHBondContact O-NZ 3.42Å; I689-K740 VanDerWaalsContact O-NZ 3.15Å
690	L	83.8	Confident	82.2	Confident	31 Å²	31	51.2 Å²	51.2	16%	0.162	29%	0.293	C	S	.	.			trans	-109.4	144.6	180	-58.6	179.5	0	0	0	111.2	V681 L688 E694 L698 L737 K740	V681-L690 HydrophobicContact CB-CD1 4.24Å; V681-L690 HydrophobicContact CG2-CD1 3.8Å; L688-L690 HydrophobicContact CB-CG 4.47Å; L688-L690 PolarHBondContact O-N 3.46Å; L690-E694 HydrophobicContact CB-CB 4.13Å; L690-E694 HydrophobicContact CD2-CB 4.39Å; L690-L698 HydrophobicContact CD1-CB 4.31Å; L690-L698 HydrophobicContact CD1-CD2 3.51Å; L690-L737 HydrophobicContact CD1-CD1 4.43Å; L690-L737 HydrophobicContact CD2-CD1 4.04Å; L690-K740 HydrophobicContact CD2-CD 3.92Å
691	T	80.6	Confident	82.3	Confident	59 Å²	59	51.8 Å²	51.8	36%	0.362	30%	0.297	S	S	.	.			trans	-69.1	159.6	166.9	62.7	0	0	0	0	110.2	K693 E694 Y695	T691-K693 VanDerWaalsContact C-N 3.27Å; T691-K693 PolarHBondContact O-N 3.46Å; T691-E694 WeakPolarHBondContact CB-OE2 3.41Å; T691-E694 WeakPolarHBondContact CG2-OE2 3.34Å; T691-E694 PolarHBondContact N-OE2 3.39Å; T691-E694 PolarHBondContact O-N 2.87Å; T691-E694 WeakPolarHBondContact OG1-CB 3.28Å; T691-E694 WeakPolarHBondContact OG1-CG 3.45Å; T691-E694 PolarHBondContact OG1-N 2.84Å; T691-E694 PolarHBondContact OG1-OE2 3.19Å; T691-Y695 PolarHBondContact O-N 2.9Å
692	P	76.6	Confident	82.3	Confident	101 Å²	101	52.2 Å²	52.2	66%	0.656	30%	0.299	S	S	*	.	H	α-helix	trans	-53.9	-40.1	-179.7	-28.5	35.4	0	0	0	114.1	A696	P692-A696 WeakPolarHBondContact O-CB 3.16Å; P692-A696 PolarHBondContact O-N 3.02Å
693	K	79	Confident	81.8	Confident	89 Å²	89	52.3 Å²	52.3	39%	0.387	30%	0.303	S	S	.	.	H	α-helix	trans	-70.5	-39	177.3	-69.1	-171.1	178.1	-175.7	0	112.6	T691 A696 L697 Y719	T691-K693 VanDerWaalsContact C-N 3.27Å; T691-K693 PolarHBondContact O-N 3.46Å; K693-A696 PolarHBondContact O-N 3.24Å; K693-L697 VanDerWaalsContact O-CB 3.3Å; K693-L697 WeakPolarHBondContact O-CB 3.28Å; K693-L697 PolarHBondContact O-N 2.97Å; K693-Y719 HydrophobicContact CD-CE1 4.49Å
694	E	84	Confident	81.6	Confident	6 Å²	6	56 Å²	56	3%	0.028	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-39.4	174.9	-71.6	162.6	166	0	0	111.7	L690 T691 L697 L698 N736 L737 K740	L690-E694 HydrophobicContact CB-CB 4.13Å; L690-E694 HydrophobicContact CD2-CB 4.39Å; T691-E694 WeakPolarHBondContact CB-OE2 3.41Å; T691-E694 WeakPolarHBondContact CG2-OE2 3.34Å; T691-E694 PolarHBondContact N-OE2 3.39Å; T691-E694 PolarHBondContact O-N 2.87Å; T691-E694 WeakPolarHBondContact OG1-CB 3.28Å; T691-E694 WeakPolarHBondContact OG1-CG 3.45Å; T691-E694 PolarHBondContact OG1-N 2.84Å; T691-E694 PolarHBondContact OG1-OE2 3.19Å; E694-L697 PolarHBondContact O-N 3.13Å; E694-L698 VanDerWaalsContact O-CB 3.32Å; E694-L698 WeakPolarHBondContact O-CB 3.25Å; E694-L698 PolarHBondContact O-N 3.11Å; E694-N736 WeakPolarHBondContact OE1-CB 3.19Å; E694-L737 HydrophobicContact CB-CD1 3.98Å; E694-K740 IonicContact OE1-NZ 3.4Å; E694-K740 PolarHBondContact OE1-NZ 3.24Å; E694-K740 IonicContact OE2-NZ 3.72Å; E694-K740 PolarHBondContact OE2-NZ 3.49Å
695	Y	83.8	Confident	81.6	Confident	23 Å²	23	55.3 Å²	55.3	9%	0.09	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-46.6	173.9	178	-90.2	0	0	0	111.2	L674 R679 V681 T691 L697 L698 S699	L674-Y695 HydrophobicContact CD1-CD2 4.22Å; L674-Y695 HydrophobicContact CD1-CE2 3.35Å; R679-Y695 HydrophobicContact CB-CE1 4.36Å; R679-Y695 HydrophobicContact CB-CE2 4.02Å; R679-Y695 HydrophobicContact CG-CE1 4.14Å; V681-Y695 HydrophobicContact CG2-CD2 3.94Å; V681-Y695 HydrophobicContact CG2-CE2 3.96Å; T691-Y695 PolarHBondContact O-N 2.9Å; Y695-L697 VanDerWaalsContact C-N 3.34Å; Y695-L697 PolarHBondContact O-N 2.82Å; Y695-L698 PolarHBondContact O-N 3.2Å; Y695-S699 VanDerWaalsContact O-CB 3.23Å; Y695-S699 WeakPolarHBondContact O-CB 3.37Å; Y695-S699 PolarHBondContact O-N 3.24Å; Y695-S699 PolarHBondContact O-OG 3.12Å
696	A	80	Confident	81.5	Confident	38 Å²	38	56.4 Å²	56.4	31%	0.314	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-44.2	175.6	0	0	0	0	0	111.7	P692 K693 S699 R700	P692-A696 WeakPolarHBondContact O-CB 3.16Å; P692-A696 PolarHBondContact O-N 3.02Å; K693-A696 PolarHBondContact O-N 3.24Å; A696-S699 WeakPolarHBondContact CA-OG 3.48Å; A696-S699 PolarHBondContact O-OG 2.95Å; A696-R700 WeakPolarHBondContact O-CB 3.46Å; A696-R700 PolarHBondContact O-N 2.79Å; A696-R700 VanDerWaalsContact O-N 3.09Å
697	L	84.9	Confident	81.4	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-50.2	176.2	-171.6	80.4	0	0	0	111.9	K693 E694 Y695 R700 L701 L714 I718 L730 H733 I734 L737	K693-L697 VanDerWaalsContact O-CB 3.3Å; K693-L697 WeakPolarHBondContact O-CB 3.28Å; K693-L697 PolarHBondContact O-N 2.97Å; E694-L697 PolarHBondContact O-N 3.13Å; Y695-L697 VanDerWaalsContact C-N 3.34Å; Y695-L697 PolarHBondContact O-N 2.82Å; L697-R700 PolarHBondContact O-N 3.33Å; L697-L701 HydrophobicContact CG-CD1 4.3Å; L697-L701 WeakPolarHBondContact O-CG 3.3Å; L697-L701 PolarHBondContact O-N 2.91Å; L697-L714 HydrophobicContact CD1-CD1 4.44Å; L697-L714 HydrophobicContact CD1-CD2 4.28Å; L697-I718 HydrophobicContact CB-CD1 3.99Å; L697-I718 HydrophobicContact CD1-CD1 3.37Å; L697-I718 HydrophobicContact CG-CD1 4.3Å; L697-L730 HydrophobicContact CD1-CD1 3.65Å; L697-H733 HydrophobicContact CD2-CB 4.33Å; L697-I734 HydrophobicContact CD1-CD1 4.25Å; L697-I734 HydrophobicContact CD2-CD1 3.96Å; L697-I734 HydrophobicContact CD2-CG1 3.89Å; L697-I734 HydrophobicContact CG-CD1 4.5Å; L697-L737 HydrophobicContact CD2-CD2 4.2Å
698	L	86.2	Confident	80.9	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-45.6	-178.1	-179.7	62.5	0	0	0	111.9	L672 V681 L690 E694 Y695 R700 L701 M702 L737	L672-L698 HydrophobicContact CD1-CD1 4.32Å; V681-L698 HydrophobicContact CG1-CD2 3.79Å; V681-L698 HydrophobicContact CG2-CD2 4.16Å; L690-L698 HydrophobicContact CD1-CB 4.31Å; L690-L698 HydrophobicContact CD1-CD2 3.51Å; E694-L698 VanDerWaalsContact O-CB 3.32Å; E694-L698 WeakPolarHBondContact O-CB 3.25Å; E694-L698 PolarHBondContact O-N 3.11Å; Y695-L698 PolarHBondContact O-N 3.2Å; L698-R700 PolarHBondContact O-N 3.21Å; L698-L701 PolarHBondContact O-N 3.26Å; L698-M702 HydrophobicContact CD1-CG 4.05Å; L698-M702 HydrophobicContact CD1-SD 4.21Å; L698-M702 HydrophobicContact CD2-SD 4.37Å; L698-M702 HydrophobicContact CG-CG 4.24Å; L698-M702 HydrophobicContact CG-SD 3.96Å; L698-M702 WeakPolarHBondContact O-CB 3.38Å; L698-M702 WeakPolarHBondContact O-CG 3.28Å; L698-M702 PolarHBondContact O-N 2.92Å; L698-L737 HydrophobicContact CB-CD1 3.85Å; L698-L737 HydrophobicContact CB-CD2 4.06Å; L698-L737 HydrophobicContact CD1-CD2 4.01Å; L698-L737 HydrophobicContact CD2-CD1 4.4Å
699	S	83.2	Confident	80.7	Confident	15 Å²	15	58 Å²	58	11%	0.105	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-40.3	176.4	57.7	0	0	0	0	110.9	Y695 A696 M702 L703	Y695-S699 VanDerWaalsContact O-CB 3.23Å; Y695-S699 WeakPolarHBondContact O-CB 3.37Å; Y695-S699 PolarHBondContact O-N 3.24Å; Y695-S699 PolarHBondContact O-OG 3.12Å; A696-S699 WeakPolarHBondContact CA-OG 3.48Å; A696-S699 PolarHBondContact O-OG 2.95Å; S699-M702 PolarHBondContact O-N 3.34Å; S699-L703 WeakPolarHBondContact O-CB 3.34Å; S699-L703 WeakPolarHBondContact O-CG 3.48Å; S699-L703 PolarHBondContact O-N 2.95Å
700	R	80.6	Confident	80.4	Confident	88 Å²	88	57.6 Å²	57.6	33%	0.332	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-40.3	176.4	-161.2	59.8	167.2	172.3	-6.5	113.4	A696 L697 L698 L703 K704 L714 D717	A696-R700 WeakPolarHBondContact O-CB 3.46Å; A696-R700 PolarHBondContact O-N 2.79Å; A696-R700 VanDerWaalsContact O-N 3.09Å; L697-R700 PolarHBondContact O-N 3.33Å; L698-R700 PolarHBondContact O-N 3.21Å; R700-L703 PolarHBondContact O-N 2.86Å; R700-K704 PolarHBondContact O-N 3.46Å; R700-L714 HydrophobicContact CB-CD2 4.2Å; R700-L714 HydrophobicContact CG-CD2 3.96Å; R700-D717 IonicContact CZ-OD2 3.15Å; R700-D717 IonicContact NE-OD2 2.73Å; R700-D717 PolarHBondContact NE-OD2 3.22Å; R700-D717 IonicContact NH2-OD1 3.77Å; R700-D717 IonicContact NH2-OD2 2.78Å; R700-D717 PolarHBondContact NH2-OD2 3.22Å
701	L	85.2	Confident	80.2	Confident	57 Å²	57	61.9 Å²	61.9	30%	0.298	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-41.6	174.2	-71.6	171	0	0	0	111.9	L697 L698 K704 A705 V709 L714 L737	L697-L701 HydrophobicContact CG-CD1 4.3Å; L697-L701 WeakPolarHBondContact O-CG 3.3Å; L697-L701 PolarHBondContact O-N 2.91Å; L698-L701 PolarHBondContact O-N 3.26Å; L701-K704 CarbonylContact O-C 3.47Å; L701-K704 PolarHBondContact O-N 2.91Å; L701-A705 PolarHBondContact O-N 3.22Å; L701-A705 VanDerWaalsContact O-N 3.07Å; L701-V709 HydrophobicContact CD2-CB 4.49Å; L701-V709 HydrophobicContact CD2-CG2 4.23Å; L701-L714 HydrophobicContact CD2-CD1 4.17Å; L701-L714 HydrophobicContact CD2-CD2 4.45Å; L701-L737 HydrophobicContact CD1-CD2 4.24Å
702	M	85.9	Confident	79.7	Confident	9 Å²	9	66 Å²	66	4%	0.044	37%	0.37	C	S	.	.	H	α-helix	trans	-66.2	-38.4	175.9	-69.9	-179.4	69.7	0	0	111.5	L667 V669 L672 L674 L698 S699 K704 A705	L667-M702 HydrophobicContact CD2-CB 3.57Å; L667-M702 VanDerWaalsContact O-CE 3.23Å; L667-M702 WeakPolarHBondContact O-CE 3.24Å; V669-M702 HydrophobicContact CB-CE 4.08Å; V669-M702 HydrophobicContact CG2-CB 4.01Å; V669-M702 HydrophobicContact CG2-CE 3.95Å; V669-M702 HydrophobicContact CG2-CG 4.21Å; L672-M702 HydrophobicContact CB-CE 3.84Å; L672-M702 HydrophobicContact CB-SD 4.23Å; L674-M702 HydrophobicContact CB-CE 3.61Å; L674-M702 HydrophobicContact CB-SD 3.8Å; L674-M702 HydrophobicContact CD2-SD 4.42Å; L698-M702 HydrophobicContact CD1-CG 4.05Å; L698-M702 HydrophobicContact CD1-SD 4.21Å; L698-M702 HydrophobicContact CD2-SD 4.37Å; L698-M702 HydrophobicContact CG-CG 4.24Å; L698-M702 HydrophobicContact CG-SD 3.96Å; L698-M702 WeakPolarHBondContact O-CB 3.38Å; L698-M702 WeakPolarHBondContact O-CG 3.28Å; L698-M702 PolarHBondContact O-N 2.92Å; S699-M702 PolarHBondContact O-N 3.34Å; M702-K704 PolarHBondContact O-N 3.34Å; M702-A705 VanDerWaalsContact O-CB 3.24Å; M702-A705 WeakPolarHBondContact O-CB 3.39Å; M702-A705 PolarHBondContact O-N 3.4Å; M702-A705 VanDerWaalsContact O-N 3.16Å
703	L	77.1	Confident	79.4	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.288	36%	0.359	S	S	.	.	H	α-helix	trans	-63.9	-25.1	174.8	-76.4	170.1	0	0	0	113.2	Q662 L667 S699 R700	Q662-L703 VanDerWaalsContact NE2-CD2 3.28Å; L667-L703 HydrophobicContact CD2-CD2 4.01Å; L667-L703 HydrophobicContact CD2-CG 4.15Å; S699-L703 WeakPolarHBondContact O-CB 3.34Å; S699-L703 WeakPolarHBondContact O-CG 3.48Å; S699-L703 PolarHBondContact O-N 2.95Å; R700-L703 PolarHBondContact O-N 2.86Å
704	K	77.1	Confident	79.1	Confident	110 Å²	110	61.2 Å²	61.2	48%	0.478	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	19.4	175.9	-68.2	-66.7	-172.7	-179.5	0	112.9	R700 L701 M702 G706 S707 V709	R700-K704 PolarHBondContact O-N 3.46Å; L701-K704 CarbonylContact O-C 3.47Å; L701-K704 PolarHBondContact O-N 2.91Å; M702-K704 PolarHBondContact O-N 3.34Å; K704-G706 PolarHBondContact O-N 2.74Å; K704-S707 PolarHBondContact O-N 2.83Å; K704-S707 VanDerWaalsContact O-N 3.07Å; K704-V709 HydrophobicContact CB-CG2 3.54Å; K704-V709 HydrophobicContact CG-CG2 4.03Å
705	A	78.6	Confident	78.5	Confident	53 Å²	53	63.1 Å²	63.1	44%	0.438	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	132.3	-176.6	0	0	0	0	0	112.1	V669 L701 M702	V669-A705 HydrophobicContact CB-CB 4.42Å; V669-A705 HydrophobicContact CG1-CB 3.74Å; V669-A705 HydrophobicContact CG2-CB 3.7Å; L701-A705 PolarHBondContact O-N 3.22Å; L701-A705 VanDerWaalsContact O-N 3.07Å; M702-A705 VanDerWaalsContact O-CB 3.24Å; M702-A705 WeakPolarHBondContact O-CB 3.39Å; M702-A705 PolarHBondContact O-N 3.4Å; M702-A705 VanDerWaalsContact O-N 3.16Å
706	G	76.2	Confident	77.7	Confident	89 Å²	89	67.3 Å²	67.3	92%	0.918	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-8.8	-177.2	0	0	0	0	0	115.5	K704	K704-G706 PolarHBondContact O-N 2.74Å
707	S	73.4	Confident	77.1	Confident	78 Å²	78	69.4 Å²	69.4	55%	0.545	38%	0.38	S	S	.	.	S	Bend	trans	-120	143.3	175.6	-62.8	0	0	0	0	111.9	K704 V709	K704-S707 PolarHBondContact O-N 2.83Å; K704-S707 VanDerWaalsContact O-N 3.07Å; S707-V709 PolarHBondContact O-N 3.06Å
708	P	74.7	Confident	76.3	Confident	128 Å²	128	71 Å²	71	83%	0.831	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-65.1	132.2	170	27.2	-31.9	0	0	0	109.9
709	V	79.9	Confident	75.4	Confident	37 Å²	37	71.6 Å²	71.6	22%	0.224	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-101.2	123.8	174.8	-170	0	0	0	0	108.7	L701 K704 S707 I713 L714	L701-V709 HydrophobicContact CD2-CB 4.49Å; L701-V709 HydrophobicContact CD2-CG2 4.23Å; K704-V709 HydrophobicContact CB-CG2 3.54Å; K704-V709 HydrophobicContact CG-CG2 4.03Å; S707-V709 PolarHBondContact O-N 3.06Å; V709-I713 HydrophobicContact CG1-CB 4.38Å; V709-I713 HydrophobicContact CG1-CG2 4.41Å; V709-L714 HydrophobicContact CB-CD1 4.29Å; V709-L714 HydrophobicContact CB-CG 4.35Å; V709-L714 HydrophobicContact CG1-CD1 4.12Å; V709-L714 HydrophobicContact CG1-CD2 3.95Å; V709-L714 HydrophobicContact CG1-CG 3.65Å
710	H	77.6	Confident	74.2	Confident	137 Å²	137	74.7 Å²	74.7	63%	0.634	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-64.1	139.7	176.2	-89.5	-90.7	0	0	0	111	E712 I713 L714	H710-E712 PolarHBondContact O-N 3.4Å; H710-I713 HydrophobicContact CB-CD1 4.04Å; H710-I713 HydrophobicContact CB-CG1 4.12Å; H710-I713 WeakPolarHBondContact O-CB 3.46Å; H710-I713 PolarHBondContact O-N 3.01Å; H710-I713 VanDerWaalsContact O-N 3.1Å; H710-L714 PolarHBondContact O-N 2.96Å
711	R	79	Confident	72.7	Confident	121 Å²	121	82.4 Å²	82.4	46%	0.457	44%	0.435	S	S	.	.	H	α-helix	trans	-49.9	-43.4	178.4	-175.9	-175.9	-178.2	-93.8	1.7	112.5	I713 L714 Y715 T727 L730 E731	R711-I713 VanDerWaalsContact C-N 3.32Å; R711-I713 PolarHBondContact O-N 3.33Å; R711-L714 PolarHBondContact O-N 2.84Å; R711-Y715 WeakPolarHBondContact O-CB 3.47Å; R711-Y715 PolarHBondContact O-N 3.38Å; R711-T727 PolarHBondContact NH2-O 3.21Å; R711-L730 HydrophobicContact CG-CD2 3.77Å; R711-E731 IonicContact CZ-OE1 3.69Å; R711-E731 VanDerWaalsContact CZ-OE1 3.31Å; R711-E731 IonicContact NE-OE1 2.83Å; R711-E731 PolarHBondContact NE-OE1 2.94Å; R711-E731 IonicContact NH2-OE1 3.62Å; R711-E731 PolarHBondContact NH2-OE1 2.9Å; R711-E731 IonicContact NH2-OE2 3.85Å
712	E	70.5	Confident	70.9	Confident	144 Å²	144	86.7 Å²	86.7	67%	0.673	46%	0.458	S	S	*	.	H	α-helix	trans	-65.9	-34.1	-176	-137.9	143.3	-149.1	0	0	112.7	H710 Y715 N716	H710-E712 PolarHBondContact O-N 3.4Å; E712-Y715 PolarHBondContact O-N 3.38Å; E712-N716 WeakPolarHBondContact O-CB 3.25Å; E712-N716 VanDerWaalsContact O-CG 3.3Å; E712-N716 PolarHBondContact O-N 2.81Å; E712-N716 PolarHBondContact O-ND2 3.09Å
713	I	70	Confident	69.2	Low	83 Å²	83	91.6 Å²	91.6	43%	0.426	49%	0.485	S	S	.	.	H	α-helix	trans	-68.1	-47	175.6	-59.9	176	0	0	0	109.8	V709 H710 R711 Y715 D717	V709-I713 HydrophobicContact CG1-CB 4.38Å; V709-I713 HydrophobicContact CG1-CG2 4.41Å; H710-I713 HydrophobicContact CB-CD1 4.04Å; H710-I713 HydrophobicContact CB-CG1 4.12Å; H710-I713 WeakPolarHBondContact O-CB 3.46Å; H710-I713 PolarHBondContact O-N 3.01Å; H710-I713 VanDerWaalsContact O-N 3.1Å; R711-I713 VanDerWaalsContact C-N 3.32Å; R711-I713 PolarHBondContact O-N 3.33Å; I713-Y715 VanDerWaalsContact C-N 3.27Å; I713-Y715 PolarHBondContact O-N 3.12Å; I713-D717 WeakPolarHBondContact O-CB 3.41Å; I713-D717 VanDerWaalsContact O-CG 3.23Å; I713-D717 PolarHBondContact O-N 3.41Å
714	L	73.6	Confident	67.8	Low	8 Å²	8	96.3 Å²	96.3	4%	0.042	51%	0.505	C	S	.	.	H	α-helix	trans	-63.3	-36	176	-70.8	170.3	0	0	0	111.9	L697 R700 L701 V709 H710 R711 I718 L730	L697-L714 HydrophobicContact CD1-CD1 4.44Å; L697-L714 HydrophobicContact CD1-CD2 4.28Å; R700-L714 HydrophobicContact CB-CD2 4.2Å; R700-L714 HydrophobicContact CG-CD2 3.96Å; L701-L714 HydrophobicContact CD2-CD1 4.17Å; L701-L714 HydrophobicContact CD2-CD2 4.45Å; V709-L714 HydrophobicContact CB-CD1 4.29Å; V709-L714 HydrophobicContact CB-CG 4.35Å; V709-L714 HydrophobicContact CG1-CD1 4.12Å; V709-L714 HydrophobicContact CG1-CD2 3.95Å; V709-L714 HydrophobicContact CG1-CG 3.65Å; H710-L714 PolarHBondContact O-N 2.96Å; R711-L714 PolarHBondContact O-N 2.84Å; L714-I718 WeakPolarHBondContact O-CB 3.16Å; L714-I718 VanDerWaalsContact O-CD1 3.32Å; L714-I718 WeakPolarHBondContact O-CD1 3.49Å; L714-I718 WeakPolarHBondContact O-CG1 3.33Å; L714-I718 PolarHBondContact O-N 3.4Å; L714-L730 HydrophobicContact CB-CD2 4.36Å
715	Y	71.5	Confident	66.6	Low	45 Å²	45	92.4 Å²	92.4	18%	0.176	49%	0.491	C	S	.	.	H	α-helix	trans	-66	-51.6	179	-168.6	-89.7	0	0	0	111.4	R711 E712 I713 D717 I718 Y719 E724 P725	R711-Y715 WeakPolarHBondContact O-CB 3.47Å; R711-Y715 PolarHBondContact O-N 3.38Å; E712-Y715 PolarHBondContact O-N 3.38Å; I713-Y715 VanDerWaalsContact C-N 3.27Å; I713-Y715 PolarHBondContact O-N 3.12Å; Y715-D717 VanDerWaalsContact C-N 3.3Å; Y715-D717 PolarHBondContact O-N 3.47Å; Y715-I718 PolarHBondContact O-N 2.96Å; Y715-Y719 AromaticContact CD2-CD2 3.75Å; Y715-Y719 HydrophobicContact CD2-CD2 3.75Å; Y715-Y719 HydrophobicContact CD2-CE2 4.11Å; Y715-Y719 AromaticContact CE2-CD2 3.95Å; Y715-Y719 HydrophobicContact CE2-CD2 3.95Å; Y715-Y719 HydrophobicContact CE2-CE2 4.35Å; Y715-Y719 HydrophobicContact CG-CD2 4.07Å; Y715-Y719 WeakPolarHBondContact O-CD2 3.33Å; Y715-Y719 PolarHBondContact O-N 3.01Å; Y715-E724 WeakPolarHBondContact OH-CG 3.4Å; Y715-P725 HydrophobicContact CE2-CG 3.99Å; Y715-P725 WeakPolarHBondContact OH-CD 3.27Å
716	N	67.4	Low	65.3	Low	111 Å²	111	94.2 Å²	94.2	59%	0.594	50%	0.501	S	S	*	.	H	α-helix	trans	-67.6	-28.2	-179.4	-68.1	-17.2	0	0	0	113.4	E712 I718	E712-N716 WeakPolarHBondContact O-CB 3.25Å; E712-N716 VanDerWaalsContact O-CG 3.3Å; E712-N716 PolarHBondContact O-N 2.81Å; E712-N716 PolarHBondContact O-ND2 3.09Å; N716-I718 VanDerWaalsContact C-N 3.34Å
717	D	67	Low	64.5	Low	82 Å²	82	95.4 Å²	95.4	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-77.9	-18.5	177.9	-75.8	-14.1	0	0	0	112.8	R700 I713 Y715	R700-D717 IonicContact CZ-OD2 3.15Å; R700-D717 IonicContact NE-OD2 2.73Å; R700-D717 PolarHBondContact NE-OD2 3.22Å; R700-D717 IonicContact NH2-OD1 3.77Å; R700-D717 IonicContact NH2-OD2 2.78Å; R700-D717 PolarHBondContact NH2-OD2 3.22Å; I713-D717 WeakPolarHBondContact O-CB 3.41Å; I713-D717 VanDerWaalsContact O-CG 3.23Å; I713-D717 PolarHBondContact O-N 3.41Å; Y715-D717 VanDerWaalsContact C-N 3.3Å; Y715-D717 PolarHBondContact O-N 3.47Å
718	I	67.3	Low	64.1	Low	36 Å²	36	96.8 Å²	96.8	19%	0.185	49%	0.491	C	S	.	.	H	α-helix	trans	-113.8	-27	-172.6	-62.1	172.2	0	0	0	112.4	L697 L714 Y715 N716 L730	L697-I718 HydrophobicContact CB-CD1 3.99Å; L697-I718 HydrophobicContact CD1-CD1 3.37Å; L697-I718 HydrophobicContact CG-CD1 4.3Å; L714-I718 WeakPolarHBondContact O-CB 3.16Å; L714-I718 VanDerWaalsContact O-CD1 3.32Å; L714-I718 WeakPolarHBondContact O-CD1 3.49Å; L714-I718 WeakPolarHBondContact O-CG1 3.33Å; L714-I718 PolarHBondContact O-N 3.4Å; Y715-I718 PolarHBondContact O-N 2.96Å; N716-I718 VanDerWaalsContact C-N 3.34Å; I718-L730 HydrophobicContact CD1-CD1 4.48Å
719	Y	67.6	Low	64	Low	17 Å²	17	92.1 Å²	92.1	7%	0.067	46%	0.461	C	S	.	.			trans	-121.8	141.5	-177.3	-55.9	-75.7	0	0	0	111.1	K693 Y715 P725 L730 H733	K693-Y719 HydrophobicContact CD-CE1 4.49Å; Y715-Y719 AromaticContact CD2-CD2 3.75Å; Y715-Y719 HydrophobicContact CD2-CD2 3.75Å; Y715-Y719 HydrophobicContact CD2-CE2 4.11Å; Y715-Y719 AromaticContact CE2-CD2 3.95Å; Y715-Y719 HydrophobicContact CE2-CD2 3.95Å; Y715-Y719 HydrophobicContact CE2-CE2 4.35Å; Y715-Y719 HydrophobicContact CG-CD2 4.07Å; Y715-Y719 WeakPolarHBondContact O-CD2 3.33Å; Y715-Y719 PolarHBondContact O-N 3.01Å; Y719-P725 HydrophobicContact CD1-CB 4.42Å; Y719-P725 HydrophobicContact CD1-CG 3.68Å; Y719-P725 HydrophobicContact CD2-CG 4.16Å; Y719-P725 HydrophobicContact CE1-CB 4.1Å; Y719-P725 HydrophobicContact CE1-CG 3.57Å; Y719-P725 HydrophobicContact CE2-CG 4.07Å; Y719-P725 HydrophobicContact CG-CG 3.99Å; Y719-L730 HydrophobicContact CE2-CB 4.43Å; Y719-L730 HydrophobicContact CE2-CD1 4.42Å; Y719-H733 PolarHBondContact OH-CD2 3.05Å; Y719-H733 VanDerWaalsContact OH-CD2 3.24Å
720	N	58.6	Low	63.9	Low	81 Å²	81	90.7 Å²	90.7	43%	0.433	45%	0.452	S	S	.	.			trans	-111.1	175.1	176.1	65.8	-2.9	0	0	0	111	D722 N723	N720-D722 VanDerWaalsContact C-N 3.25Å; N720-D722 PolarHBondContact O-N 2.89Å; N720-N723 PolarHBondContact O-N 2.97Å; N720-N723 PolarHBondContact OD1-N 3.13Å
721	W	47.9	Very low	64	Low	249 Å²	249	87.8 Å²	87.8	94%	0.943	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-57.2	-31.5	-177.6	-85.3	-32.5	0	0	0	114.8
722	D	47.9	Very low	63.9	Low	147 Å²	147	85.7 Å²	85.7	79%	0.786	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-84.2	-14.2	-176.5	-66.1	-37.3	0	0	0	113.8	N720	N720-D722 VanDerWaalsContact C-N 3.25Å; N720-D722 PolarHBondContact O-N 2.89Å
723	N	51.1	Low	64.4	Low	112 Å²	112	80.5 Å²	80.5	60%	0.599	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-131	51.2	-177.2	-88.4	-40.7	0	0	0	111.7	N720 P725	N720-N723 PolarHBondContact O-N 2.97Å; N720-N723 PolarHBondContact OD1-N 3.13Å; N723-P725 WeakPolarHBondContact O-CD 3.49Å
724	E	46.8	Very low	65	Low	154 Å²	154	78.4 Å²	78.4	72%	0.72	40%	0.404	S	S	*	.			trans	-67.2	105.7	172.2	-154.8	174.4	-150	0	0	109.2	Y715	Y715-E724 WeakPolarHBondContact OH-CG 3.4Å
725	P	52	Low	65.3	Low	29 Å²	29	83.1 Å²	83.1	19%	0.188	43%	0.425	C	S	.	.			trans	-77.6	164.8	-174.8	37.2	-42.7	0	0	0	111.5	Y715 Y719 N723 T729	Y715-P725 HydrophobicContact CE2-CG 3.99Å; Y715-P725 WeakPolarHBondContact OH-CD 3.27Å; Y719-P725 HydrophobicContact CD1-CB 4.42Å; Y719-P725 HydrophobicContact CD1-CG 3.68Å; Y719-P725 HydrophobicContact CD2-CG 4.16Å; Y719-P725 HydrophobicContact CE1-CB 4.1Å; Y719-P725 HydrophobicContact CE1-CG 3.57Å; Y719-P725 HydrophobicContact CE2-CG 4.07Å; Y719-P725 HydrophobicContact CG-CG 3.99Å; N723-P725 WeakPolarHBondContact O-CD 3.49Å; P725-T729 HydrophobicContact CB-CG2 3.79Å; P725-T729 WeakPolarHBondContact CB-OG1 3.46Å; P725-T729 HydrophobicContact CG-CG2 4.38Å
726	S	52	Low	65.8	Low	91 Å²	91	83.8 Å²	83.8	64%	0.636	43%	0.432	S	S	*	.			trans	-56.4	149.4	172.7	66.7	0	0	0	0	111	N728 T729	S726-N728 PolarHBondContact O-N 2.58Å; S726-T729 WeakPolarHBondContact O-CB 3.42Å; S726-T729 PolarHBondContact O-N 3.2Å; S726-T729 PolarHBondContact O-OG1 2.95Å; S726-T729 PolarHBondContact OG-OG1 3.28Å
727	T	58.5	Low	66.5	Low	114 Å²	114	78.9 Å²	78.9	70%	0.699	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-21.1	-163.4	35.4	0	0	0	0	116.6	R711	R711-T727 PolarHBondContact NH2-O 3.21Å
728	N	64.9	Low	67.2	Low	106 Å²	106	82.7 Å²	82.7	57%	0.567	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	9.4	-175.3	-64	-16	0	0	0	114.9	S726 L730 E731 V732	S726-N728 PolarHBondContact O-N 2.58Å; N728-L730 PolarHBondContact O-N 3.03Å; N728-E731 WeakPolarHBondContact CA-OE2 3.41Å; N728-E731 PolarHBondContact O-N 2.76Å; N728-V732 WeakPolarHBondContact O-CG2 3.47Å; N728-V732 PolarHBondContact O-N 2.8Å
729	T	73.5	Confident	67.7	Low	31 Å²	31	84.7 Å²	84.7	19%	0.19	43%	0.425	C	S	.	.	H	α-helix	trans	-69.7	-35.1	-171.5	-57.9	0	0	0	0	113.1	P725 S726 E731 V732 H733	P725-T729 HydrophobicContact CB-CG2 3.79Å; P725-T729 WeakPolarHBondContact CB-OG1 3.46Å; P725-T729 HydrophobicContact CG-CG2 4.38Å; S726-T729 WeakPolarHBondContact O-CB 3.42Å; S726-T729 PolarHBondContact O-N 3.2Å; S726-T729 PolarHBondContact O-OG1 2.95Å; S726-T729 PolarHBondContact OG-OG1 3.28Å; T729-E731 VanDerWaalsContact C-N 3.31Å; T729-E731 PolarHBondContact O-N 2.86Å; T729-V732 PolarHBondContact O-N 3.26Å; T729-H733 PolarHBondContact O-CD2 2.96Å; T729-H733 PolarHBondContact O-N 3.31Å; T729-H733 VanDerWaalsContact O-N 3.14Å
730	L	77.7	Confident	68.3	Low	7 Å²	7	86.8 Å²	86.8	4%	0.037	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-40.6	175.6	179	62.8	0	0	0	110.8	L697 R711 L714 I718 Y719 N728 V732 H733 I734	L697-L730 HydrophobicContact CD1-CD1 3.65Å; R711-L730 HydrophobicContact CG-CD2 3.77Å; L714-L730 HydrophobicContact CB-CD2 4.36Å; I718-L730 HydrophobicContact CD1-CD1 4.48Å; Y719-L730 HydrophobicContact CE2-CB 4.43Å; Y719-L730 HydrophobicContact CE2-CD1 4.42Å; N728-L730 PolarHBondContact O-N 3.03Å; L730-V732 VanDerWaalsContact C-N 3.33Å; L730-V732 PolarHBondContact O-N 3.38Å; L730-H733 PolarHBondContact O-N 2.72Å; L730-I734 HydrophobicContact CG-CG1 4.49Å; L730-I734 WeakPolarHBondContact O-CG1 3.28Å; L730-I734 PolarHBondContact O-N 3.05Å
731	E	79.1	Confident	69.1	Low	75 Å²	75	85.2 Å²	85.2	35%	0.35	43%	0.426	S	S	.	.	H	α-helix	trans	-64.3	-37.4	178.3	-65	77.1	-174.5	0	0	111.6	R711 N728 T729 I734 H735	R711-E731 IonicContact CZ-OE1 3.69Å; R711-E731 VanDerWaalsContact CZ-OE1 3.31Å; R711-E731 IonicContact NE-OE1 2.83Å; R711-E731 PolarHBondContact NE-OE1 2.94Å; R711-E731 IonicContact NH2-OE1 3.62Å; R711-E731 PolarHBondContact NH2-OE1 2.9Å; R711-E731 IonicContact NH2-OE2 3.85Å; N728-E731 WeakPolarHBondContact CA-OE2 3.41Å; N728-E731 PolarHBondContact O-N 2.76Å; T729-E731 VanDerWaalsContact C-N 3.31Å; T729-E731 PolarHBondContact O-N 2.86Å; E731-I734 PolarHBondContact O-N 3.22Å; E731-H735 WeakPolarHBondContact O-CB 3.37Å; E731-H735 PolarHBondContact O-N 3.31Å
732	V	76.8	Confident	69.9	Low	78 Å²	78	79 Å²	79	47%	0.473	41%	0.41	S	S	.	.	H	α-helix	trans	-65	-44.5	173.6	174.8	0	0	0	0	111.2	N728 T729 L730 H735 N736	N728-V732 WeakPolarHBondContact O-CG2 3.47Å; N728-V732 PolarHBondContact O-N 2.8Å; T729-V732 PolarHBondContact O-N 3.26Å; L730-V732 VanDerWaalsContact C-N 3.33Å; L730-V732 PolarHBondContact O-N 3.38Å; V732-H735 PolarHBondContact O-N 3.14Å; V732-N736 VanDerWaalsContact O-CG 3.31Å; V732-N736 PolarHBondContact O-N 3.13Å; V732-N736 PolarHBondContact O-OD1 3.2Å
733	H	81.9	Confident	70.4	Confident	34 Å²	34	74.8 Å²	74.8	16%	0.157	39%	0.392	C	S	.	.	H	α-helix	trans	-65.5	-38.4	176.2	-71.5	-61.8	0	0	0	112.5	L697 Y719 T729 L730 H735 L737	L697-H733 HydrophobicContact CD2-CB 4.33Å; Y719-H733 PolarHBondContact OH-CD2 3.05Å; Y719-H733 VanDerWaalsContact OH-CD2 3.24Å; T729-H733 PolarHBondContact O-CD2 2.96Å; T729-H733 PolarHBondContact O-N 3.31Å; T729-H733 VanDerWaalsContact O-N 3.14Å; L730-H733 PolarHBondContact O-N 2.72Å; H733-H735 VanDerWaalsContact C-N 3.32Å; H733-L737 VanDerWaalsContact O-CB 3.25Å; H733-L737 WeakPolarHBondContact O-CB 3.35Å; H733-L737 PolarHBondContact O-N 3.12Å
734	I	82	Confident	70.3	Confident	40 Å²	40	70.7 Å²	70.7	21%	0.205	37%	0.371	C	S	.	.	H	α-helix	trans	-61.9	-42	172.7	-63.6	-103.6	0	0	0	110.3	L697 L730 E731 R738	L697-I734 HydrophobicContact CD1-CD1 4.25Å; L697-I734 HydrophobicContact CD2-CD1 3.96Å; L697-I734 HydrophobicContact CD2-CG1 3.89Å; L697-I734 HydrophobicContact CG-CD1 4.5Å; L730-I734 HydrophobicContact CG-CG1 4.49Å; L730-I734 WeakPolarHBondContact O-CG1 3.28Å; L730-I734 PolarHBondContact O-N 3.05Å; E731-I734 PolarHBondContact O-N 3.22Å; I734-R738 VanDerWaalsContact O-CG 3.31Å; I734-R738 WeakPolarHBondContact O-CG 3.26Å; I734-R738 PolarHBondContact O-N 2.91Å
735	H	79.7	Confident	70.1	Confident	106 Å²	106	71.9 Å²	71.9	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-65.2	-49.9	178.4	179.6	59.2	0	0	0	111.8	E731 V732 H733 L737 R738 D739	E731-H735 WeakPolarHBondContact O-CB 3.37Å; E731-H735 PolarHBondContact O-N 3.31Å; V732-H735 PolarHBondContact O-N 3.14Å; H733-H735 VanDerWaalsContact C-N 3.32Å; H735-L737 VanDerWaalsContact C-N 3.29Å; H735-L737 PolarHBondContact O-N 3.19Å; H735-R738 WeakPolarHBondContact O-CB 3.3Å; H735-R738 PolarHBondContact O-N 3.31Å; H735-R738 VanDerWaalsContact O-N 3.07Å; H735-D739 IonicContact CE1-OD1 3.68Å; H735-D739 IonicContact CE1-OD2 2.67Å; H735-D739 IonicContact NE2-OD2 3.92Å; H735-D739 PolarHBondContact O-N 3.11Å
736	N	82.1	Confident	69.7	Low	60 Å²	60	79.8 Å²	79.8	32%	0.321	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-40	176.6	-68.6	-6.7	0	0	0	111.8	E694 V732 D739 K740	E694-N736 WeakPolarHBondContact OE1-CB 3.19Å; V732-N736 VanDerWaalsContact O-CG 3.31Å; V732-N736 PolarHBondContact O-N 3.13Å; V732-N736 PolarHBondContact O-OD1 3.2Å; N736-D739 PolarHBondContact O-N 3.49Å; N736-K740 WeakPolarHBondContact O-CB 3.49Å; N736-K740 WeakPolarHBondContact O-CG 3.28Å; N736-K740 PolarHBondContact O-N 3.19Å
737	L	82.4	Confident	69.3	Low	7 Å²	7	80.8 Å²	80.8	4%	0.037	40%	0.398	C	S	.	.	H	α-helix	trans	-61.9	-44.9	174.6	-166.8	84.2	0	0	0	110.9	L690 E694 L697 L698 L701 H733 H735 K740 L741	L690-L737 HydrophobicContact CD1-CD1 4.43Å; L690-L737 HydrophobicContact CD2-CD1 4.04Å; E694-L737 HydrophobicContact CB-CD1 3.98Å; L697-L737 HydrophobicContact CD2-CD2 4.2Å; L698-L737 HydrophobicContact CB-CD1 3.85Å; L698-L737 HydrophobicContact CB-CD2 4.06Å; L698-L737 HydrophobicContact CD1-CD2 4.01Å; L698-L737 HydrophobicContact CD2-CD1 4.4Å; L701-L737 HydrophobicContact CD1-CD2 4.24Å; H733-L737 VanDerWaalsContact O-CB 3.25Å; H733-L737 WeakPolarHBondContact O-CB 3.35Å; H733-L737 PolarHBondContact O-N 3.12Å; H735-L737 VanDerWaalsContact C-N 3.29Å; H735-L737 PolarHBondContact O-N 3.19Å; L737-K740 PolarHBondContact O-N 3.14Å; L737-L741 HydrophobicContact CD2-CD1 4.31Å; L737-L741 HydrophobicContact CG-CD1 4.15Å; L737-L741 WeakPolarHBondContact O-CB 3.48Å; L737-L741 WeakPolarHBondContact O-CG 3.41Å; L737-L741 PolarHBondContact O-N 3Å
738	R	82.7	Confident	68.6	Low	162 Å²	162	84.3 Å²	84.3	61%	0.611	40%	0.398	S	S	*	.	H	α-helix	trans	-61.5	-44.1	175.7	-76.4	174.6	177.8	-178.6	0.7	111.8	I734 H735 K740 L741 I742	I734-R738 VanDerWaalsContact O-CG 3.31Å; I734-R738 WeakPolarHBondContact O-CG 3.26Å; I734-R738 PolarHBondContact O-N 2.91Å; H735-R738 WeakPolarHBondContact O-CB 3.3Å; H735-R738 PolarHBondContact O-N 3.31Å; H735-R738 VanDerWaalsContact O-N 3.07Å; R738-K740 PolarHBondContact O-N 3.04Å; R738-L741 PolarHBondContact O-N 2.87Å; R738-I742 WeakPolarHBondContact O-CB 3.43Å; R738-I742 WeakPolarHBondContact O-CD1 3.48Å; R738-I742 VanDerWaalsContact O-CG1 3.23Å; R738-I742 WeakPolarHBondContact O-CG1 3.36Å; R738-I742 PolarHBondContact O-N 3.39Å
739	D	76.1	Confident	67.5	Low	79 Å²	79	85.8 Å²	85.8	42%	0.422	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-44.1	177.9	-84.8	11.2	0	0	0	111.4	H735 N736 L741 I742 S743	H735-D739 IonicContact CE1-OD1 3.68Å; H735-D739 IonicContact CE1-OD2 2.67Å; H735-D739 IonicContact NE2-OD2 3.92Å; H735-D739 PolarHBondContact O-N 3.11Å; N736-D739 PolarHBondContact O-N 3.49Å; D739-L741 VanDerWaalsContact C-N 3.31Å; D739-L741 PolarHBondContact O-N 3.46Å; D739-I742 PolarHBondContact O-N 3.15Å; D739-I742 VanDerWaalsContact O-N 3.17Å; D739-S743 WeakPolarHBondContact O-CB 3.47Å; D739-S743 PolarHBondContact O-N 3.34Å; D739-S743 PolarHBondContact O-OG 3.48Å
740	K	80	Confident	65.8	Low	60 Å²	60	89.4 Å²	89.4	26%	0.261	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-34.5	174.3	-71.9	-179.4	179.4	-167.9	0	112.9	I689 L690 E694 N736 L737 R738 I742 S743	I689-K740 PolarHBondContact O-NZ 3.42Å; I689-K740 VanDerWaalsContact O-NZ 3.15Å; L690-K740 HydrophobicContact CD2-CD 3.92Å; E694-K740 IonicContact OE1-NZ 3.4Å; E694-K740 PolarHBondContact OE1-NZ 3.24Å; E694-K740 IonicContact OE2-NZ 3.72Å; E694-K740 PolarHBondContact OE2-NZ 3.49Å; N736-K740 WeakPolarHBondContact O-CB 3.49Å; N736-K740 WeakPolarHBondContact O-CG 3.28Å; N736-K740 PolarHBondContact O-N 3.19Å; L737-K740 PolarHBondContact O-N 3.14Å; R738-K740 PolarHBondContact O-N 3.04Å; K740-I742 VanDerWaalsContact C-N 3.33Å; K740-S743 PolarHBondContact O-OG 3.13Å
741	L	75.9	Confident	64	Low	48 Å²	48	92.8 Å²	92.8	25%	0.251	44%	0.441	S	S	.	.	H	α-helix	trans	-73.8	-23.4	175.5	-69.6	170.5	0	0	0	112.8	L672 M683 L688 L737 R738 D739	L672-L741 HydrophobicContact CD1-CD2 4.05Å; L672-L741 HydrophobicContact CD2-CD2 3.69Å; L672-L741 HydrophobicContact CG-CD2 4.44Å; M683-L741 HydrophobicContact CE-CD2 4.05Å; M683-L741 WeakPolarHBondContact CE-O 3.42Å; M683-L741 HydrophobicContact SD-CD2 4.05Å; L688-L741 HydrophobicContact CD1-CD2 4Å; L737-L741 HydrophobicContact CD2-CD1 4.31Å; L737-L741 HydrophobicContact CG-CD1 4.15Å; L737-L741 WeakPolarHBondContact O-CB 3.48Å; L737-L741 WeakPolarHBondContact O-CG 3.41Å; L737-L741 PolarHBondContact O-N 3Å; R738-L741 PolarHBondContact O-N 2.87Å; D739-L741 VanDerWaalsContact C-N 3.31Å; D739-L741 PolarHBondContact O-N 3.46Å
742	I	65.7	Low	62.1	Low	120 Å²	120	93.9 Å²	93.9	62%	0.615	45%	0.453	S	S	*	.	H	α-helix	trans	-92	-35	179.5	-67.6	164.6	0	0	0	111.6	R738 D739 K740 V744 F745	R738-I742 WeakPolarHBondContact O-CB 3.43Å; R738-I742 WeakPolarHBondContact O-CD1 3.48Å; R738-I742 VanDerWaalsContact O-CG1 3.23Å; R738-I742 WeakPolarHBondContact O-CG1 3.36Å; R738-I742 PolarHBondContact O-N 3.39Å; D739-I742 PolarHBondContact O-N 3.15Å; D739-I742 VanDerWaalsContact O-N 3.17Å; K740-I742 VanDerWaalsContact C-N 3.33Å; I742-V744 PolarHBondContact O-N 3.32Å; I742-F745 PolarHBondContact O-N 2.77Å
743	S	57.2	Low	60.5	Low	58 Å²	58	97.3 Å²	97.3	41%	0.406	46%	0.463	S	S	.	.	H	α-helix	trans	-70.6	-26.5	-173.4	62.6	0	0	0	0	114.8	D739 K740 F745 W746 L747	D739-S743 WeakPolarHBondContact O-CB 3.47Å; D739-S743 PolarHBondContact O-N 3.34Å; D739-S743 PolarHBondContact O-OG 3.48Å; K740-S743 PolarHBondContact O-OG 3.13Å; S743-F745 PolarHBondContact O-N 2.91Å; S743-W746 WeakPolarHBondContact O-CB 3.34Å; S743-W746 PolarHBondContact O-N 3.15Å; S743-L747 PolarHBondContact O-N 3.22Å
744	V	49.5	Very low	58.8	Low	25 Å²	25	102.4 Å²	102.4	15%	0.152	49%	0.488	C	S	.	.	H	α-helix	trans	-63.3	-27.2	176.4	175.1	0	0	0	0	112.1	M683 L688 I742 W746	M683-V744 HydrophobicContact CE-CB 3.44Å; M683-V744 VanDerWaalsContact CE-CB 3.44Å; M683-V744 HydrophobicContact CE-CG1 3.9Å; M683-V744 HydrophobicContact CE-CG2 3.5Å; M683-V744 VanDerWaalsContact CE-CG2 3.5Å; L688-V744 HydrophobicContact CD2-CG2 3.69Å; I742-V744 PolarHBondContact O-N 3.32Å; V744-W746 PolarHBondContact O-N 3.21Å
745	F	43.4	Very low	57.3	Low	180 Å²	180	106.4 Å²	106.4	79%	0.789	51%	0.508	S	S	*	.	H	α-helix	trans	-68.4	-23.1	174.9	-168.1	-98	0	0	0	113	I742 S743	I742-F745 PolarHBondContact O-N 2.77Å; S743-F745 PolarHBondContact O-N 2.91Å
746	W	42.1	Very low	56	Low	195 Å²	195	108.6 Å²	108.6	74%	0.739	52%	0.518	S	S	*	.	H	α-helix	trans	-87.2	-34.8	-177.7	-149.6	84.2	0	0	0	112.5	S743 V744 W748 H749	S743-W746 WeakPolarHBondContact O-CB 3.34Å; S743-W746 PolarHBondContact O-N 3.15Å; V744-W746 PolarHBondContact O-N 3.21Å; W746-W748 VanDerWaalsContact C-N 3.32Å; W746-W748 PolarHBondContact O-N 3.02Å; W746-H749 PolarHBondContact O-N 3.19Å
747	L	44.9	Very low	54.5	Low	111 Å²	111	112 Å²	112	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-68.8	-28.8	179.7	-77.1	160.5	0	0	0	113.3	S743 H749 E750	S743-L747 PolarHBondContact O-N 3.22Å; L747-H749 PolarHBondContact O-N 2.8Å; L747-E750 PolarHBondContact O-N 3.41Å
748	W	43.5	Very low	53.2	Low	188 Å²	188	118.4 Å²	118.4	71%	0.712	56%	0.564	S	S	*	*	H	α-helix	trans	-64	-26.1	177.4	-171	76.4	0	0	0	113.4	W746	W746-W748 VanDerWaalsContact C-N 3.32Å; W746-W748 PolarHBondContact O-N 3.02Å
749	H	41.4	Very low	51.7	Low	138 Å²	138	116.4 Å²	116.4	64%	0.639	56%	0.561	S	S	*	*	H	α-helix	trans	-81.9	-29.3	-176.4	-162.5	58.8	0	0	0	113.7	W746 L747 T752	W746-H749 PolarHBondContact O-N 3.19Å; L747-H749 PolarHBondContact O-N 2.8Å; H749-T752 PolarHBondContact O-OG1 2.87Å
750	E	38.2	Very low	50.6	Low	106 Å²	106	119.3 Å²	119.3	50%	0.495	57%	0.572	S	S	.	*	H	α-helix	trans	-82.7	-20.6	-172.5	-160.9	66.9	-162.9	0	0	113.2	L747 T752	L747-E750 PolarHBondContact O-N 3.41Å; E750-T752 PolarHBondContact O-N 3.44Å
751	S	40	Very low	49.5	Very low	78 Å²	78	119.8 Å²	119.8	55%	0.545	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	-17.2	-177	176.4	0	0	0	0	114.2
752	T	39.2	Very low	48.7	Very low	98 Å²	98	122.1 Å²	122.1	60%	0.601	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-19.2	-171.8	21.4	0	0	0	0	115.1	H749 E750	H749-T752 PolarHBondContact O-OG1 2.87Å; E750-T752 PolarHBondContact O-N 3.44Å
753	E	42.8	Very low	48.1	Very low	150 Å²	150	124.3 Å²	124.3	70%	0.701	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-25.4	-179.3	-74.2	-156.5	156	0	0	114.3	I755	E753-I755 VanDerWaalsContact C-N 3.31Å; E753-I755 PolarHBondContact O-N 2.92Å
754	Q	46.2	Very low	48	Very low	142 Å²	142	127.8 Å²	127.8	66%	0.664	61%	0.614	S	S	*	*	H	α-helix	trans	-72.3	-22.8	-175.5	-66.6	-172.4	6.8	0	0	114.1	Q756	Q754-Q756 VanDerWaalsContact C-N 3.29Å; Q754-Q756 PolarHBondContact O-N 3.29Å
755	I	51	Low	48.4	Very low	123 Å²	123	131.8 Å²	131.8	63%	0.631	64%	0.635	S	S	*	*	H	α-helix	trans	-69.8	-27.6	-177.3	-63.7	174.4	0	0	0	111.6	E753	E753-I755 VanDerWaalsContact C-N 3.31Å; E753-I755 PolarHBondContact O-N 2.92Å
756	Q	51.1	Low	49.1	Very low	153 Å²	153	131.6 Å²	131.6	72%	0.715	63%	0.629	S	S	*	*	H	α-helix	trans	-81.3	-29	-176.8	-71.7	-177.7	-12.4	0	0	113.8	Q754	Q754-Q756 VanDerWaalsContact C-N 3.29Å; Q754-Q756 PolarHBondContact O-N 3.29Å
757	L	52.2	Low	49.8	Very low	131 Å²	131	127.4 Å²	127.4	69%	0.686	62%	0.621	S	S	*	*	H	α-helix	trans	-75.7	-30	179.2	-82.9	157.4	0	0	0	112.8	E759	L757-E759 VanDerWaalsContact C-N 3.33Å; L757-E759 PolarHBondContact O-N 3.02Å
758	F	53.7	Low	50.4	Low	142 Å²	142	128 Å²	128	62%	0.623	62%	0.624	S	S	*	*	H	α-helix	trans	-68.1	-31.1	178.7	-172.2	-112.6	0	0	0	112.8	Q760 L762	F758-Q760 PolarHBondContact O-N 2.9Å; F758-L762 HydrophobicContact CD1-CD1 3.91Å; F758-L762 HydrophobicContact CE1-CD1 3.61Å; F758-L762 HydrophobicContact CE1-CG 4.48Å; F758-L762 HydrophobicContact CZ-CD1 4.06Å
759	E	51.1	Low	51	Low	119 Å²	119	122.9 Å²	122.9	56%	0.556	61%	0.611	S	S	*	*	H	α-helix	trans	-72.5	-26.2	-177.4	-108.5	-167.3	170.2	0	0	114.4	L757	L757-E759 VanDerWaalsContact C-N 3.33Å; L757-E759 PolarHBondContact O-N 3.02Å
760	Q	53.3	Low	51.6	Low	141 Å²	141	124.7 Å²	124.7	66%	0.659	61%	0.612	S	S	*	*	H	α-helix	trans	-79.7	-39.5	179	-85	178.5	-15.2	0	0	112.2	F758 L762 R763	F758-Q760 PolarHBondContact O-N 2.9Å; Q760-L762 VanDerWaalsContact C-N 3.26Å; Q760-L762 PolarHBondContact O-N 3.33Å; Q760-R763 PolarHBondContact O-N 2.88Å
761	A	56.2	Low	52.6	Low	69 Å²	69	126.5 Å²	126.5	57%	0.57	62%	0.62	S	S	*	*	H	α-helix	trans	-63.8	-29.4	179.6	0	0	0	0	0	113.4	R763	A761-R763 PolarHBondContact O-N 3.27Å
762	L	59.4	Low	53.8	Low	97 Å²	97	127.4 Å²	127.4	51%	0.508	62%	0.618	S	S	.	*	H	α-helix	trans	-73.2	-22.9	-179.8	-73.8	170	0	0	0	114.1	F758 Q760	F758-L762 HydrophobicContact CD1-CD1 3.91Å; F758-L762 HydrophobicContact CE1-CD1 3.61Å; F758-L762 HydrophobicContact CE1-CG 4.48Å; F758-L762 HydrophobicContact CZ-CD1 4.06Å; Q760-L762 VanDerWaalsContact C-N 3.26Å; Q760-L762 PolarHBondContact O-N 3.33Å
763	R	54.1	Low	55	Low	166 Å²	166	128.5 Å²	128.5	63%	0.626	62%	0.618	S	S	*	*	H	α-helix	trans	-79.5	-35.3	-176.1	-66.7	-174.4	-152.2	-154.4	4.3	112.6	Q760 A761	Q760-R763 PolarHBondContact O-N 2.88Å; A761-R763 PolarHBondContact O-N 3.27Å
764	D	53.9	Low	56.1	Low	132 Å²	132	130 Å²	130	71%	0.706	62%	0.617	S	S	*	*	H	α-helix	trans	-76.3	-32.4	-176.5	-73	-14.8	0	0	0	112.7	R766	D764-R766 VanDerWaalsContact C-N 3.27Å; D764-R766 PolarHBondContact O-N 2.61Å
765	N	58.4	Low	57	Low	109 Å²	109	129.9 Å²	129.9	58%	0.583	62%	0.616	S	S	*	*	H	α-helix	trans	-67.6	-29	178.5	-145	11.2	0	0	0	112.5	N767	N765-N767 VanDerWaalsContact C-N 3.31Å; N765-N767 PolarHBondContact O-N 3.09Å
766	R	58.4	Low	58	Low	176 Å²	176	128 Å²	128	66%	0.664	61%	0.607	S	S	*	*	H	α-helix	trans	-69.8	-21.8	-171.5	-139.7	178.3	-164.8	168.8	6	114.7	D764	D764-R766 VanDerWaalsContact C-N 3.27Å; D764-R766 PolarHBondContact O-N 2.61Å
767	N	56.7	Low	58.8	Low	107 Å²	107	130.1 Å²	130.1	57%	0.572	61%	0.608	S	S	*	*	H	α-helix	trans	-85.8	-31.5	-176.4	-75.1	-26.7	0	0	0	112.8	N765	N765-N767 VanDerWaalsContact C-N 3.31Å; N765-N767 PolarHBondContact O-N 3.09Å
768	N	57.1	Low	59.7	Low	122 Å²	122	130.1 Å²	130.1	65%	0.652	61%	0.605	S	S	*	*	H	α-helix	trans	-73.6	-34.9	176.3	-84.2	-3.6	0	0	0	112.4	R770 H771	N768-R770 VanDerWaalsContact C-N 3.27Å; N768-R770 PolarHBondContact O-N 2.92Å; N768-H771 PolarHBondContact O-N 3.26Å
769	D	55.5	Low	60.5	Low	81 Å²	81	126.3 Å²	126.3	43%	0.433	60%	0.599	S	S	.	*	H	α-helix	trans	-61.8	-31.9	-179.7	-74.1	-20.7	0	0	0	113.4	H771 I772 M773	D769-H771 VanDerWaalsContact C-N 3.32Å; D769-H771 PolarHBondContact O-N 3.09Å; D769-I772 PolarHBondContact O-N 2.88Å; D769-M773 VanDerWaalsContact O-CB 3.24Å; D769-M773 WeakPolarHBondContact O-CB 3.45Å; D769-M773 WeakPolarHBondContact O-CG 2.97Å; D769-M773 PolarHBondContact O-N 3.49Å
770	R	54.8	Low	61.6	Low	177 Å²	177	123.6 Å²	123.6	67%	0.668	59%	0.591	S	S	*	*	H	α-helix	trans	-67.4	-30.7	-175.6	-76.1	-177.2	177.1	151.6	-2.6	113.7	N768	N768-R770 VanDerWaalsContact C-N 3.27Å; N768-R770 PolarHBondContact O-N 2.92Å
771	H	60.3	Low	62.4	Low	144 Å²	144	119.1 Å²	119.1	67%	0.667	58%	0.578	S	S	*	*	H	α-helix	trans	-78.3	-42.7	179.8	-161.8	-76.8	0	0	0	111.1	N768 D769 R774	N768-H771 PolarHBondContact O-N 3.26Å; D769-H771 VanDerWaalsContact C-N 3.32Å; D769-H771 PolarHBondContact O-N 3.09Å; H771-R774 PolarHBondContact O-N 3.45Å
772	I	64.3	Low	63.2	Low	97 Å²	97	120 Å²	120	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-66.3	-40.3	178.3	-63.2	174.2	0	0	0	110.9	D769 R774 E775 I776	D769-I772 PolarHBondContact O-N 2.88Å; I772-R774 PolarHBondContact O-N 2.73Å; I772-E775 PolarHBondContact O-N 2.96Å; I772-I776 HydrophobicContact CG2-CD1 3.65Å; I772-I776 HydrophobicContact CG2-CG1 4.31Å; I772-I776 WeakPolarHBondContact O-CG1 3.49Å; I772-I776 PolarHBondContact O-N 3.26Å; I772-I776 VanDerWaalsContact O-N 3.14Å
773	M	64	Low	64.1	Low	120 Å²	120	122 Å²	122	59%	0.591	59%	0.591	S	S	*	*	H	α-helix	trans	-64.7	-24	-179.3	-76.3	-64.5	-148	0	0	114.1	D769 R777	D769-M773 VanDerWaalsContact O-CB 3.24Å; D769-M773 WeakPolarHBondContact O-CB 3.45Å; D769-M773 WeakPolarHBondContact O-CG 2.97Å; D769-M773 PolarHBondContact O-N 3.49Å; M773-R777 WeakPolarHBondContact O-CB 3.42Å; M773-R777 PolarHBondContact O-N 3.09Å
774	R	66.2	Low	65.4	Low	181 Å²	181	118.4 Å²	118.4	68%	0.683	58%	0.583	S	S	*	*	H	α-helix	trans	-73.7	-43.9	178.5	-169.6	176	177.7	168.7	-0.6	111.7	H771 I772 R777 E778	H771-R774 PolarHBondContact O-N 3.45Å; I772-R774 PolarHBondContact O-N 2.73Å; R774-R777 PolarHBondContact O-N 3.25Å; R774-E778 PolarHBondContact O-N 2.92Å
775	E	65.4	Low	66.5	Low	140 Å²	140	117 Å²	117	65%	0.654	58%	0.579	S	S	*	*	H	α-helix	trans	-67.5	-40.8	176.5	-74.1	-171.8	165.1	0	0	111.7	I772 R777 E778 A779	I772-E775 PolarHBondContact O-N 2.96Å; E775-R777 VanDerWaalsContact C-N 3.34Å; E775-R777 PolarHBondContact O-N 2.99Å; E775-E778 PolarHBondContact O-N 2.78Å; E775-A779 PolarHBondContact O-N 3.07Å
776	I	72.4	Confident	67.4	Low	84 Å²	84	115.4 Å²	115.4	43%	0.431	58%	0.575	S	S	.	*	H	α-helix	trans	-62.6	-42.4	174.6	-66.5	177.1	0	0	0	110.6	I772 E778 A779 V780	I772-I776 HydrophobicContact CG2-CD1 3.65Å; I772-I776 HydrophobicContact CG2-CG1 4.31Å; I772-I776 WeakPolarHBondContact O-CG1 3.49Å; I772-I776 PolarHBondContact O-N 3.26Å; I772-I776 VanDerWaalsContact O-N 3.14Å; I776-E778 VanDerWaalsContact C-N 3.33Å; I776-E778 PolarHBondContact O-N 3.41Å; I776-A779 PolarHBondContact O-N 2.9Å; I776-V780 HydrophobicContact CG2-CG2 3.66Å; I776-V780 WeakPolarHBondContact O-CB 3.21Å; I776-V780 WeakPolarHBondContact O-CG2 3.2Å; I776-V780 PolarHBondContact O-N 2.93Å
777	R	67.5	Low	68.5	Low	198 Å²	198	108.6 Å²	108.6	75%	0.747	56%	0.559	S	S	*	*	H	α-helix	trans	-63.7	-36.3	-177.5	-169.2	176.7	-175.8	-178.5	1.5	112.8	M773 R774 E775 A781	M773-R777 WeakPolarHBondContact O-CB 3.42Å; M773-R777 PolarHBondContact O-N 3.09Å; R774-R777 PolarHBondContact O-N 3.25Å; E775-R777 VanDerWaalsContact C-N 3.34Å; E775-R777 PolarHBondContact O-N 2.99Å; R777-A781 VanDerWaalsContact O-CB 3.24Å; R777-A781 WeakPolarHBondContact O-CB 3.37Å; R777-A781 PolarHBondContact O-N 3.01Å
778	E	70.6	Confident	70	Confident	131 Å²	131	107.3 Å²	107.3	61%	0.612	56%	0.555	S	S	*	*	H	α-helix	trans	-69.8	-43.8	176.4	-72	178	-171.5	0	0	111.5	R774 E775 I776 S782	R774-E778 PolarHBondContact O-N 2.92Å; E775-E778 PolarHBondContact O-N 2.78Å; I776-E778 VanDerWaalsContact C-N 3.33Å; I776-E778 PolarHBondContact O-N 3.41Å; E778-S782 PolarHBondContact O-N 2.89Å
779	A	70.8	Confident	71.4	Confident	61 Å²	61	108.2 Å²	108.2	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-44.9	175.6	0	0	0	0	0	112.2	E775 I776 S782	E775-A779 PolarHBondContact O-N 3.07Å; I776-A779 PolarHBondContact O-N 2.9Å; A779-S782 PolarHBondContact O-N 2.88Å; A779-S782 PolarHBondContact O-OG 3.08Å
780	V	73.5	Confident	72.9	Confident	62 Å²	62	109.7 Å²	109.7	38%	0.376	56%	0.559	S	S	.	*	H	α-helix	trans	-65.6	-40.4	180	169.4	0	0	0	0	111.6	I776 S782 L783 I784	I776-V780 HydrophobicContact CG2-CG2 3.66Å; I776-V780 WeakPolarHBondContact O-CB 3.21Å; I776-V780 WeakPolarHBondContact O-CG2 3.2Å; I776-V780 PolarHBondContact O-N 2.93Å; V780-S782 VanDerWaalsContact C-N 3.3Å; V780-S782 PolarHBondContact O-N 3.15Å; V780-L783 PolarHBondContact O-N 3.04Å; V780-I784 HydrophobicContact CG1-CD1 3.21Å; V780-I784 HydrophobicContact CG1-CG1 3.75Å; V780-I784 WeakPolarHBondContact O-CB 3.32Å; V780-I784 WeakPolarHBondContact O-CG1 3.35Å; V780-I784 PolarHBondContact O-N 2.75Å
781	A	71.8	Confident	74.6	Confident	48 Å²	48	105.2 Å²	105.2	40%	0.397	55%	0.551	S	S	.	*	H	α-helix	trans	-61.9	-37.1	178	0	0	0	0	0	112.6	R777 L783 V785	R777-A781 VanDerWaalsContact O-CB 3.24Å; R777-A781 WeakPolarHBondContact O-CB 3.37Å; R777-A781 PolarHBondContact O-N 3.01Å; A781-L783 PolarHBondContact O-N 3.2Å; A781-V785 WeakPolarHBondContact O-CB 3.22Å; A781-V785 VanDerWaalsContact O-CG2 3.3Å; A781-V785 WeakPolarHBondContact O-CG2 3.44Å; A781-V785 PolarHBondContact O-N 3.36Å
782	S	73.2	Confident	76	Confident	88 Å²	88	101.4 Å²	101.4	62%	0.615	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-26.5	178.3	77.3	0	0	0	0	113.6	E778 A779 V780 P786	E778-S782 PolarHBondContact O-N 2.89Å; A779-S782 PolarHBondContact O-N 2.88Å; A779-S782 PolarHBondContact O-OG 3.08Å; V780-S782 VanDerWaalsContact C-N 3.3Å; V780-S782 PolarHBondContact O-N 3.15Å; S782-P786 WeakPolarHBondContact O-CD 3.46Å
783	L	78	Confident	77.3	Confident	138 Å²	138	100.5 Å²	100.5	72%	0.723	54%	0.536	S	S	*	.	H	α-helix	trans	-95.9	-39.8	-178.7	-164.5	74.1	0	0	0	112.4	V780 A781	V780-L783 PolarHBondContact O-N 3.04Å; A781-L783 PolarHBondContact O-N 3.2Å
784	I	80.3	Confident	78.7	Confident	91 Å²	91	98.3 Å²	98.3	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-74	-41.6	-175.2	-70.1	-170.1	0	0	0	112	V780 G787 V788	V780-I784 HydrophobicContact CG1-CD1 3.21Å; V780-I784 HydrophobicContact CG1-CG1 3.75Å; V780-I784 WeakPolarHBondContact O-CB 3.32Å; V780-I784 WeakPolarHBondContact O-CG1 3.35Å; V780-I784 PolarHBondContact O-N 2.75Å; I784-G787 CarbonylContact O-C 3.5Å; I784-G787 PolarHBondContact O-N 2.82Å; I784-G787 VanDerWaalsContact O-N 3.11Å; I784-V788 HydrophobicContact CG2-CG2 3.58Å; I784-V788 WeakPolarHBondContact O-CG2 3.43Å; I784-V788 PolarHBondContact O-N 2.72Å
785	V	77.4	Confident	80	Confident	102 Å²	102	95 Å²	95	62%	0.618	53%	0.525	S	S	*	.	H	α-helix	trans	-61.4	-47.2	-172.3	173.3	0	0	0	0	112.4	A781 G787 F789	A781-V785 WeakPolarHBondContact O-CB 3.22Å; A781-V785 VanDerWaalsContact O-CG2 3.3Å; A781-V785 WeakPolarHBondContact O-CG2 3.44Å; A781-V785 PolarHBondContact O-N 3.36Å; V785-G787 VanDerWaalsContact C-N 3.35Å; V785-F789 PolarHBondContact O-N 2.96Å
786	P	78.2	Confident	81.2	Confident	76 Å²	76	94.1 Å²	94.1	49%	0.494	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-38.1	172.7	-18.3	31.5	0	0	0	112.4	S782 F789 M790	S782-P786 WeakPolarHBondContact O-CD 3.46Å; P786-F789 PolarHBondContact O-N 3.05Å; P786-M790 WeakPolarHBondContact O-CB 3.41Å; P786-M790 WeakPolarHBondContact O-CG 3.22Å; P786-M790 PolarHBondContact O-N 3.43Å
787	G	80.7	Confident	82.2	Confident	32 Å²	32	95 Å²	95	33%	0.33	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-47.7	-180	0	0	0	0	0	113	I784 V785 F789 M790 V791	I784-G787 CarbonylContact O-C 3.5Å; I784-G787 PolarHBondContact O-N 2.82Å; I784-G787 VanDerWaalsContact O-N 3.11Å; V785-G787 VanDerWaalsContact C-N 3.35Å; G787-F789 VanDerWaalsContact C-N 3.34Å; G787-F789 PolarHBondContact O-N 2.92Å; G787-M790 PolarHBondContact O-N 2.85Å; G787-V791 WeakPolarHBondContact O-CB 3.34Å; G787-V791 VanDerWaalsContact O-CG2 3.24Å; G787-V791 WeakPolarHBondContact O-CG2 3.32Å; G787-V791 PolarHBondContact O-N 2.92Å
788	V	87.2	Confident	83.4	Confident	81 Å²	81	88.7 Å²	88.7	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-40.3	178.3	171.7	0	0	0	0	111	I784 V791 S792	I784-V788 HydrophobicContact CG2-CG2 3.58Å; I784-V788 WeakPolarHBondContact O-CG2 3.43Å; I784-V788 PolarHBondContact O-N 2.72Å; V788-V791 PolarHBondContact O-N 3.04Å; V788-S792 VanDerWaalsContact O-CB 3.27Å; V788-S792 WeakPolarHBondContact O-CB 3.38Å; V788-S792 PolarHBondContact O-N 2.94Å; V788-S792 PolarHBondContact O-OG 2.84Å
789	F	86.8	Confident	84.4	Confident	141 Å²	141	88.9 Å²	88.9	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-62.9	-47.2	176.1	-176.2	-96.3	0	0	0	111.5	V785 P786 G787 S792 L793	V785-F789 PolarHBondContact O-N 2.96Å; P786-F789 PolarHBondContact O-N 3.05Å; G787-F789 VanDerWaalsContact C-N 3.34Å; G787-F789 PolarHBondContact O-N 2.92Å; F789-S792 PolarHBondContact O-N 2.87Å; F789-L793 WeakPolarHBondContact O-CB 3.5Å; F789-L793 PolarHBondContact O-N 3.38Å
790	M	87.5	Confident	85.3	Confident	111 Å²	111	90.1 Å²	90.1	55%	0.547	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-42.1	177.7	-73.6	-62.6	-67	0	0	112.5	P786 G787 L793 T794	P786-M790 WeakPolarHBondContact O-CB 3.41Å; P786-M790 WeakPolarHBondContact O-CG 3.22Å; P786-M790 PolarHBondContact O-N 3.43Å; G787-M790 PolarHBondContact O-N 2.85Å; M790-L793 PolarHBondContact O-N 3.33Å; M790-T794 VanDerWaalsContact O-CB 3.3Å; M790-T794 WeakPolarHBondContact O-CB 3.03Å; M790-T794 PolarHBondContact O-N 2.86Å; M790-T794 PolarHBondContact O-OG1 3.03Å
791	V	91	Very high	86	Confident	84 Å²	84	89.2 Å²	89.2	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-64.8	-44.5	176.6	169.8	0	0	0	0	110.7	G787 V788 L793 T794 L795	G787-V791 WeakPolarHBondContact O-CB 3.34Å; G787-V791 VanDerWaalsContact O-CG2 3.24Å; G787-V791 WeakPolarHBondContact O-CG2 3.32Å; G787-V791 PolarHBondContact O-N 2.92Å; V788-V791 PolarHBondContact O-N 3.04Å; V791-L793 PolarHBondContact O-N 3.48Å; V791-T794 PolarHBondContact O-N 3.41Å; V791-L795 HydrophobicContact CG1-CD1 3.78Å; V791-L795 HydrophobicContact CG1-CG 4.3Å; V791-L795 WeakPolarHBondContact O-CB 3.42Å; V791-L795 VanDerWaalsContact O-CG 3.32Å; V791-L795 WeakPolarHBondContact O-CG 3.25Å; V791-L795 PolarHBondContact O-N 3.03Å
792	S	90.2	Very high	86.7	Confident	64 Å²	64	91 Å²	91	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-42.3	178.8	-57.6	0	0	0	0	111.9	V788 F789 L795 F796	V788-S792 VanDerWaalsContact O-CB 3.27Å; V788-S792 WeakPolarHBondContact O-CB 3.38Å; V788-S792 PolarHBondContact O-N 2.94Å; V788-S792 PolarHBondContact O-OG 2.84Å; F789-S792 PolarHBondContact O-N 2.87Å; S792-L795 PolarHBondContact O-N 3.01Å; S792-F796 WeakPolarHBondContact O-CB 3.39Å; S792-F796 PolarHBondContact O-N 2.67Å
793	L	91.2	Very high	87.3	Confident	78 Å²	78	93.9 Å²	93.9	41%	0.408	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-43.6	175.5	-177.5	64.6	0	0	0	111.3	F789 M790 V791 F796 I797	F789-L793 WeakPolarHBondContact O-CB 3.5Å; F789-L793 PolarHBondContact O-N 3.38Å; M790-L793 PolarHBondContact O-N 3.33Å; V791-L793 PolarHBondContact O-N 3.48Å; L793-F796 PolarHBondContact O-N 3.38Å; L793-I797 HydrophobicContact CD1-CD1 4.35Å; L793-I797 HydrophobicContact CG-CD1 4.09Å; L793-I797 VanDerWaalsContact O-CG1 3.29Å; L793-I797 WeakPolarHBondContact O-CG1 3.43Å; L793-I797 PolarHBondContact O-N 3.41Å
794	T	92.3	Very high	87.7	Confident	74 Å²	74	97.5 Å²	97.5	45%	0.454	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-46.3	177.3	-55.7	0	0	0	0	110.9	M790 V791 F796 I797 C798	M790-T794 VanDerWaalsContact O-CB 3.3Å; M790-T794 WeakPolarHBondContact O-CB 3.03Å; M790-T794 PolarHBondContact O-N 2.86Å; M790-T794 PolarHBondContact O-OG1 3.03Å; V791-T794 PolarHBondContact O-N 3.41Å; T794-F796 VanDerWaalsContact C-N 3.31Å; T794-F796 PolarHBondContact O-N 3.48Å; T794-I797 PolarHBondContact O-N 3.02Å; T794-C798 WeakPolarHBondContact O-CB 3.26Å; T794-C798 PolarHBondContact O-N 3.02Å; T794-C798 PolarHBondContact O-SG 3.03Å
795	L	93.4	Very high	87.8	Confident	112 Å²	112	97.8 Å²	97.8	59%	0.586	51%	0.508	S	S	*	.	H	α-helix	trans	-60.4	-40	175.5	-77.2	170.1	0	0	0	111.7	V791 S792 C798 Y799	V791-L795 HydrophobicContact CG1-CD1 3.78Å; V791-L795 HydrophobicContact CG1-CG 4.3Å; V791-L795 WeakPolarHBondContact O-CB 3.42Å; V791-L795 VanDerWaalsContact O-CG 3.32Å; V791-L795 WeakPolarHBondContact O-CG 3.25Å; V791-L795 PolarHBondContact O-N 3.03Å; S792-L795 PolarHBondContact O-N 3.01Å; L795-C798 PolarHBondContact O-N 3.16Å; L795-Y799 VanDerWaalsContact O-CB 3.25Å; L795-Y799 WeakPolarHBondContact O-CB 3.47Å; L795-Y799 PolarHBondContact O-N 2.81Å
796	F	92.1	Very high	88.2	Confident	121 Å²	121	96.2 Å²	96.2	53%	0.531	50%	0.499	S	S	.	.	H	α-helix	trans	-65.4	-43.2	176.4	-178	-99.2	0	0	0	112.1	S792 L793 T794 Y799 Q800	S792-F796 WeakPolarHBondContact O-CB 3.39Å; S792-F796 PolarHBondContact O-N 2.67Å; L793-F796 PolarHBondContact O-N 3.38Å; T794-F796 VanDerWaalsContact C-N 3.31Å; T794-F796 PolarHBondContact O-N 3.48Å; F796-Y799 PolarHBondContact O-N 3.38Å; F796-Q800 HydrophobicContact CD1-CG 4.36Å; F796-Q800 HydrophobicContact CE1-CG 4.02Å; F796-Q800 HydrophobicContact CE2-CG 4.49Å; F796-Q800 HydrophobicContact CZ-CG 4.1Å; F796-Q800 WeakPolarHBondContact O-CB 3.28Å; F796-Q800 VanDerWaalsContact O-CG 3.31Å; F796-Q800 WeakPolarHBondContact O-CG 3.42Å; F796-Q800 PolarHBondContact O-N 3.42Å
797	I	92.3	Very high	88.6	Confident	101 Å²	101	100.6 Å²	100.6	52%	0.518	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-45.7	175.3	-67.8	166.4	0	0	0	110.4	L793 T794 Y799 Q800 A801	L793-I797 HydrophobicContact CD1-CD1 4.35Å; L793-I797 HydrophobicContact CG-CD1 4.09Å; L793-I797 VanDerWaalsContact O-CG1 3.29Å; L793-I797 WeakPolarHBondContact O-CG1 3.43Å; L793-I797 PolarHBondContact O-N 3.41Å; T794-I797 PolarHBondContact O-N 3.02Å; I797-Y799 PolarHBondContact O-N 3.06Å; I797-Q800 PolarHBondContact O-N 3.1Å; I797-A801 WeakPolarHBondContact O-CB 3.38Å; I797-A801 PolarHBondContact O-N 2.99Å
798	C	92.5	Very high	88.8	Confident	66 Å²	66	100 Å²	100	45%	0.446	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-44.8	175.8	-72.1	0	0	0	0	111.5	T794 L795 Q800 A801 V802	T794-C798 WeakPolarHBondContact O-CB 3.26Å; T794-C798 PolarHBondContact O-N 3.02Å; T794-C798 PolarHBondContact O-SG 3.03Å; L795-C798 PolarHBondContact O-N 3.16Å; C798-Q800 PolarHBondContact O-N 3.21Å; C798-A801 PolarHBondContact O-N 2.98Å; C798-V802 WeakPolarHBondContact O-CB 3.44Å; C798-V802 VanDerWaalsContact O-CG2 3.27Å; C798-V802 WeakPolarHBondContact O-CG2 3.22Å; C798-V802 PolarHBondContact O-N 3.08Å
799	Y	92.2	Very high	88.7	Confident	136 Å²	136	100.9 Å²	100.9	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-44.7	176.9	174.9	-105.5	0	0	0	111.9	L795 F796 I797 R803	L795-Y799 VanDerWaalsContact O-CB 3.25Å; L795-Y799 WeakPolarHBondContact O-CB 3.47Å; L795-Y799 PolarHBondContact O-N 2.81Å; F796-Y799 PolarHBondContact O-N 3.38Å; I797-Y799 PolarHBondContact O-N 3.06Å; Y799-R803 VanDerWaalsContact O-CB 3.23Å; Y799-R803 WeakPolarHBondContact O-CB 3.42Å; Y799-R803 PolarHBondContact O-N 3.1Å
800	Q	90.2	Very high	88.6	Confident	86 Å²	86	96.9 Å²	96.9	40%	0.402	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-40.9	175.4	-72.2	-74.5	0.9	0	0	111.9	F796 I797 C798 R804	F796-Q800 HydrophobicContact CD1-CG 4.36Å; F796-Q800 HydrophobicContact CE1-CG 4.02Å; F796-Q800 HydrophobicContact CE2-CG 4.49Å; F796-Q800 HydrophobicContact CZ-CG 4.1Å; F796-Q800 WeakPolarHBondContact O-CB 3.28Å; F796-Q800 VanDerWaalsContact O-CG 3.31Å; F796-Q800 WeakPolarHBondContact O-CG 3.42Å; F796-Q800 PolarHBondContact O-N 3.42Å; I797-Q800 PolarHBondContact O-N 3.1Å; C798-Q800 PolarHBondContact O-N 3.21Å; Q800-R804 VanDerWaalsContact O-CB 3.31Å; Q800-R804 WeakPolarHBondContact O-CB 3.31Å; Q800-R804 PolarHBondContact O-N 3.18Å
801	A	86.6	Confident	88.6	Confident	44 Å²	44	96 Å²	96	36%	0.364	49%	0.485	S	S	.	.	H	α-helix	trans	-64	-50	176.9	0	0	0	0	0	111.5	I797 C798 R803 R804 I805	I797-A801 WeakPolarHBondContact O-CB 3.38Å; I797-A801 PolarHBondContact O-N 2.99Å; C798-A801 PolarHBondContact O-N 2.98Å; A801-R803 PolarHBondContact O-N 3.43Å; A801-R804 PolarHBondContact O-N 3.12Å; A801-I805 WeakPolarHBondContact O-CB 3.29Å; A801-I805 WeakPolarHBondContact O-CD1 3.35Å; A801-I805 VanDerWaalsContact O-CG1 3.24Å; A801-I805 WeakPolarHBondContact O-CG1 3.12Å; A801-I805 PolarHBondContact O-N 2.98Å
802	V	88	Confident	88.4	Confident	84 Å²	84	92.2 Å²	92.2	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-60.6	-46.8	177.9	171.6	0	0	0	0	110.7	C798 R804 I805 T806	C798-V802 WeakPolarHBondContact O-CB 3.44Å; C798-V802 VanDerWaalsContact O-CG2 3.27Å; C798-V802 WeakPolarHBondContact O-CG2 3.22Å; C798-V802 PolarHBondContact O-N 3.08Å; V802-R804 VanDerWaalsContact C-N 3.29Å; V802-R804 PolarHBondContact O-N 3.41Å; V802-I805 PolarHBondContact O-N 3.35Å; V802-T806 HydrophobicContact CG1-CG2 4.1Å; V802-T806 WeakPolarHBondContact O-CB 3.42Å; V802-T806 WeakPolarHBondContact O-CG2 3.06Å; V802-T806 PolarHBondContact O-N 2.93Å; V802-T806 PolarHBondContact O-OG1 2.95Å
803	R	86.3	Confident	88.2	Confident	149 Å²	149	94.4 Å²	94.4	56%	0.562	47%	0.465	S	S	*	.	H	α-helix	trans	-61	-38.3	178.1	-173.4	178.1	178.8	-171.8	1.7	112.1	Y799 A801 T806 R807	Y799-R803 VanDerWaalsContact O-CB 3.23Å; Y799-R803 WeakPolarHBondContact O-CB 3.42Å; Y799-R803 PolarHBondContact O-N 3.1Å; A801-R803 PolarHBondContact O-N 3.43Å; R803-T806 PolarHBondContact O-OG1 2.77Å; R803-R807 WeakPolarHBondContact O-CB 3.11Å; R803-R807 PolarHBondContact O-N 2.97Å
804	R	85	Confident	88	Confident	214 Å²	214	98.2 Å²	98.2	81%	0.808	48%	0.479	S	S	*	.	H	α-helix	trans	-70.8	-36.9	177.9	-169.2	175.7	-177.2	119.5	0.4	112.3	Q800 A801 V802	Q800-R804 VanDerWaalsContact O-CB 3.31Å; Q800-R804 WeakPolarHBondContact O-CB 3.31Å; Q800-R804 PolarHBondContact O-N 3.18Å; A801-R804 PolarHBondContact O-N 3.12Å; V802-R804 VanDerWaalsContact C-N 3.29Å; V802-R804 PolarHBondContact O-N 3.41Å
805	I	82.9	Confident	87.6	Confident	97 Å²	97	98.4 Å²	98.4	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-74.9	-36.1	179.3	-67.8	165	0	0	0	111.6	A801 V802 P808	A801-I805 WeakPolarHBondContact O-CB 3.29Å; A801-I805 WeakPolarHBondContact O-CD1 3.35Å; A801-I805 VanDerWaalsContact O-CG1 3.24Å; A801-I805 WeakPolarHBondContact O-CG1 3.12Å; A801-I805 PolarHBondContact O-N 2.98Å; V802-I805 PolarHBondContact O-N 3.35Å; I805-P808 WeakPolarHBondContact O-CD 3.07Å
806	T	85.5	Confident	87.1	Confident	70 Å²	70	96.7 Å²	96.7	43%	0.429	47%	0.465	S	S	.	.	H	α-helix	trans	-85.5	-23.5	-175	51.5	0	0	0	0	114.5	V802 R803 L809 A810	V802-T806 HydrophobicContact CG1-CG2 4.1Å; V802-T806 WeakPolarHBondContact O-CB 3.42Å; V802-T806 WeakPolarHBondContact O-CG2 3.06Å; V802-T806 PolarHBondContact O-N 2.93Å; V802-T806 PolarHBondContact O-OG1 2.95Å; R803-T806 PolarHBondContact O-OG1 2.77Å; T806-L809 WeakPolarHBondContact O-CB 3.43Å; T806-L809 PolarHBondContact O-N 2.87Å; T806-L809 VanDerWaalsContact O-N 3.12Å; T806-A810 PolarHBondContact O-N 3.31Å
807	R	85.8	Confident	86.6	Confident	167 Å²	167	97.6 Å²	97.6	63%	0.63	47%	0.471	S	S	*	.	H	α-helix	trans	-55.1	-45.7	-178.8	-179.1	-179.7	174.1	171.4	3.7	114.6	R803 L809 A810 E811	R803-R807 WeakPolarHBondContact O-CB 3.11Å; R803-R807 PolarHBondContact O-N 2.97Å; R807-L809 PolarHBondContact O-N 3.49Å; R807-A810 PolarHBondContact O-N 3.47Å; R807-E811 IonicContact CZ-OE1 2.78Å; R807-E811 IonicContact NE-OE1 3.86Å; R807-E811 PolarHBondContact NE-OE1 3.17Å; R807-E811 IonicContact NH2-OE1 3.92Å; R807-E811 PolarHBondContact O-N 2.96Å; R807-E811 VanDerWaalsContact O-N 3.08Å
808	P	85.2	Confident	85.8	Confident	21 Å²	21	96.4 Å²	96.4	14%	0.136	48%	0.477	C	S	.	.	H	α-helix	trans	-64.5	-28.2	179.3	-18.8	31.6	0	0	0	112.9	I805 E811 L812 I836	I805-P808 WeakPolarHBondContact O-CD 3.07Å; P808-E811 PolarHBondContact O-N 3.31Å; P808-L812 WeakPolarHBondContact O-CB 3.46Å; P808-L812 PolarHBondContact O-N 3.31Å; P808-I836 HydrophobicContact CB-CD1 3.83Å; P808-I836 HydrophobicContact CB-CG2 4.25Å; P808-I836 HydrophobicContact CG-CD1 4.17Å
809	L	86.2	Confident	84.9	Confident	98 Å²	98	95.6 Å²	95.6	51%	0.513	46%	0.464	S	S	.	.	H	α-helix	trans	-71	-39.5	176.2	-172.2	66.6	0	0	0	111.5	T806 R807 E811 L812 Q813 I836	T806-L809 WeakPolarHBondContact O-CB 3.43Å; T806-L809 PolarHBondContact O-N 2.87Å; T806-L809 VanDerWaalsContact O-N 3.12Å; R807-L809 PolarHBondContact O-N 3.49Å; L809-E811 VanDerWaalsContact C-N 3.33Å; L809-L812 HydrophobicContact CD1-CD2 4.45Å; L809-L812 PolarHBondContact O-N 3.24Å; L809-Q813 PolarHBondContact O-N 3.09Å; L809-I836 HydrophobicContact CB-CD1 4.44Å
810	A	85	Confident	83.7	Confident	57 Å²	57	93.2 Å²	93.2	47%	0.471	46%	0.464	S	S	.	.	H	α-helix	trans	-65.9	-36	174.1	0	0	0	0	0	112.1	T806 R807 K814	T806-A810 PolarHBondContact O-N 3.31Å; R807-A810 PolarHBondContact O-N 3.47Å; A810-K814 PolarHBondContact O-N 3.32Å
811	E	86.5	Confident	82.4	Confident	93 Å²	93	92.8 Å²	92.8	44%	0.435	48%	0.475	S	S	.	.	H	α-helix	trans	-65.9	-40.3	172.6	-70.9	172.1	-170.6	0	0	111.1	R807 P808 L809 K814 E815	R807-E811 IonicContact CZ-OE1 2.78Å; R807-E811 IonicContact NE-OE1 3.86Å; R807-E811 PolarHBondContact NE-OE1 3.17Å; R807-E811 IonicContact NH2-OE1 3.92Å; R807-E811 PolarHBondContact O-N 2.96Å; R807-E811 VanDerWaalsContact O-N 3.08Å; P808-E811 PolarHBondContact O-N 3.31Å; L809-E811 VanDerWaalsContact C-N 3.33Å; E811-K814 PolarHBondContact O-N 3.11Å; E811-E815 PolarHBondContact O-N 2.85Å; E811-E815 VanDerWaalsContact O-N 3.13Å
812	L	87.2	Confident	80.9	Confident	4 Å²	4	94.7 Å²	94.7	2%	0.021	48%	0.479	C	S	.	.	H	α-helix	trans	-64.1	-42.6	174.5	178.6	61.7	0	0	0	113.2	P808 L809 K814 E815 L816 I827 I829 V839 V840 L843	P808-L812 WeakPolarHBondContact O-CB 3.46Å; P808-L812 PolarHBondContact O-N 3.31Å; L809-L812 HydrophobicContact CD1-CD2 4.45Å; L809-L812 PolarHBondContact O-N 3.24Å; L812-K814 VanDerWaalsContact C-N 3.34Å; L812-K814 PolarHBondContact O-N 3.4Å; L812-E815 PolarHBondContact O-N 2.84Å; L812-L816 HydrophobicContact CD1-CD1 4.01Å; L812-L816 HydrophobicContact CD1-CG 4.43Å; L812-L816 HydrophobicContact CG-CD1 3.94Å; L812-L816 PolarHBondContact O-N 2.92Å; L812-I827 HydrophobicContact CD1-CD1 4.25Å; L812-I827 HydrophobicContact CD1-CG2 3.85Å; L812-I829 HydrophobicContact CB-CD1 3.82Å; L812-I829 HydrophobicContact CD1-CD1 3.89Å; L812-I829 HydrophobicContact CG-CD1 4.49Å; L812-V839 HydrophobicContact CD2-CG1 4.07Å; L812-V840 HydrophobicContact CD1-CG2 4.09Å; L812-V840 HydrophobicContact CD2-CG2 4.05Å; L812-L843 HydrophobicContact CD1-CD1 4.17Å; L812-L843 HydrophobicContact CD2-CD1 4.32Å
813	Q	86.3	Confident	80	Confident	111 Å²	111	93.7 Å²	93.7	52%	0.519	47%	0.471	S	S	.	.	H	α-helix	trans	-58.5	-47.9	175.8	-179.8	-178.2	-5.9	0	0	111.2	L809 E815 L816 E817	L809-Q813 PolarHBondContact O-N 3.09Å; Q813-E815 VanDerWaalsContact C-N 3.31Å; Q813-E815 PolarHBondContact O-N 3.01Å; Q813-L816 PolarHBondContact O-N 3.11Å; Q813-E817 HydrophobicContact CG-CG 4.49Å; Q813-E817 WeakPolarHBondContact CG-OE1 3.23Å; Q813-E817 PolarHBondContact NE2-OE1 3.12Å; Q813-E817 WeakPolarHBondContact O-CG 3.26Å; Q813-E817 PolarHBondContact O-N 3.22Å
814	K	86.1	Confident	79.4	Confident	158 Å²	158	88.8 Å²	88.8	69%	0.687	46%	0.455	S	S	*	.	H	α-helix	trans	-64.2	-35.8	-178.5	-165.6	177.3	-177.7	-178.3	0	112.7	A810 E811 L812 A818	A810-K814 PolarHBondContact O-N 3.32Å; E811-K814 PolarHBondContact O-N 3.11Å; L812-K814 VanDerWaalsContact C-N 3.34Å; L812-K814 PolarHBondContact O-N 3.4Å; K814-A818 WeakPolarHBondContact O-CB 3.46Å; K814-A818 PolarHBondContact O-N 3.27Å
815	E	84.4	Confident	79	Confident	77 Å²	77	82.2 Å²	82.2	36%	0.36	44%	0.439	S	S	.	.	H	α-helix	trans	-69	-37.3	175.6	-177	61.8	-157.2	0	0	112.2	E811 L812 Q813 R819 I827 I829	E811-E815 PolarHBondContact O-N 2.85Å; E811-E815 VanDerWaalsContact O-N 3.13Å; L812-E815 PolarHBondContact O-N 2.84Å; Q813-E815 VanDerWaalsContact C-N 3.31Å; Q813-E815 PolarHBondContact O-N 3.01Å; E815-R819 WeakPolarHBondContact O-CG 3.48Å; E815-R819 IonicContact OE1-NE 2.6Å; E815-R819 PolarHBondContact OE1-NE 3.39Å; E815-R819 IonicContact OE1-NH2 2.91Å; E815-I827 HydrophobicContact CG-CG2 4.17Å; E815-I829 HydrophobicContact CB-CD1 4.03Å; E815-I829 HydrophobicContact CG-CD1 4.39Å
816	L	82.7	Confident	78.9	Confident	76 Å²	76	82.1 Å²	82.1	40%	0.398	45%	0.445	S	S	.	.	H	α-helix	trans	-69.1	-42.5	175	-80.5	157.1	0	0	0	112.1	L812 Q813 A818 R819 I827 L843	L812-L816 HydrophobicContact CD1-CD1 4.01Å; L812-L816 HydrophobicContact CD1-CG 4.43Å; L812-L816 HydrophobicContact CG-CD1 3.94Å; L812-L816 PolarHBondContact O-N 2.92Å; Q813-L816 PolarHBondContact O-N 3.11Å; L816-A818 PolarHBondContact O-N 3.06Å; L816-R819 PolarHBondContact O-N 2.68Å; L816-I827 HydrophobicContact CD2-CD1 4.16Å; L816-I827 HydrophobicContact CG-CD1 4.45Å; L816-L843 HydrophobicContact CD1-CD1 4.06Å; L816-L843 HydrophobicContact CD2-CD1 4.46Å
817	E	81.5	Confident	78.9	Confident	140 Å²	140	79.1 Å²	79.1	65%	0.654	43%	0.426	S	S	*	.	H	α-helix	trans	-64.6	-27.3	177.9	-75.2	173.9	-174.8	0	0	112.8	Q813	Q813-E817 HydrophobicContact CG-CG 4.49Å; Q813-E817 WeakPolarHBondContact CG-OE1 3.23Å; Q813-E817 PolarHBondContact NE2-OE1 3.12Å; Q813-E817 WeakPolarHBondContact O-CG 3.26Å; Q813-E817 PolarHBondContact O-N 3.22Å
818	A	76.6	Confident	78.6	Confident	77 Å²	77	75 Å²	75	64%	0.636	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.6	179.2	0	0	0	0	0	114.5	K814 L816	K814-A818 WeakPolarHBondContact O-CB 3.46Å; K814-A818 PolarHBondContact O-N 3.27Å; L816-A818 PolarHBondContact O-N 3.06Å
819	R	73.6	Confident	78.3	Confident	48 Å²	48	75.3 Å²	75.3	18%	0.181	43%	0.428	C	S	.	.			trans	-88.1	134.3	-173.5	-86	169.1	173.3	-102.6	2.5	113.5	E815 L816 N823 T825 P826	E815-R819 WeakPolarHBondContact O-CG 3.48Å; E815-R819 IonicContact OE1-NE 2.6Å; E815-R819 PolarHBondContact OE1-NE 3.39Å; E815-R819 IonicContact OE1-NH2 2.91Å; L816-R819 PolarHBondContact O-N 2.68Å; R819-N823 PolarHBondContact NH1-O 2.96Å; R819-T825 PolarHBondContact NH1-O 2.94Å; R819-T825 PolarHBondContact NH2-O 2.86Å; R819-P826 PolarHBondContact NH2-O 3.4Å
820	T	67.1	Low	77.7	Confident	87 Å²	87	79.3 Å²	79.3	53%	0.534	44%	0.444	S	S	.	.			trans	-97.3	166.2	174.1	62.2	0	0	0	0	111.7	D822 N823	T820-D822 PolarHBondContact O-N 2.84Å; T820-D822 VanDerWaalsContact O-N 3.07Å; T820-N823 PolarHBondContact O-N 3.34Å
821	A	61.7	Low	77.3	Confident	76 Å²	76	77.4 Å²	77.4	63%	0.628	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.6	-177.6	0	0	0	0	0	114.4
822	D	56.1	Low	76.7	Confident	84 Å²	84	78.3 Å²	78.3	45%	0.449	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-17.8	-174.2	-17.6	-54.4	0	0	0	111.6	T820 L824 S919	T820-D822 PolarHBondContact O-N 2.84Å; T820-D822 VanDerWaalsContact O-N 3.07Å; D822-L824 VanDerWaalsContact C-N 3.32Å; D822-L824 PolarHBondContact O-N 2.87Å; D822-S919 VanDerWaalsContact OD1-CA 3.27Å; D822-S919 WeakPolarHBondContact OD1-CA 3.41Å
823	N	69.1	Low	76.3	Confident	63 Å²	63	79.8 Å²	79.8	34%	0.337	46%	0.46	S	S	.	.			trans	-87.4	72.6	178.3	-170.6	1.2	0	0	0	111.1	R819 T820 T825	R819-N823 PolarHBondContact NH1-O 2.96Å; T820-N823 PolarHBondContact O-N 3.34Å; N823-T825 PolarHBondContact O-N 3.17Å; N823-T825 WeakPolarHBondContact OD1-CB 3.32Å; N823-T825 WeakPolarHBondContact OD1-CG2 3.27Å; N823-T825 PolarHBondContact OD1-N 2.68Å; N823-T825 PolarHBondContact OD1-OG1 2.04Å
824	L	72.4	Confident	76	Confident	46 Å²	46	80.9 Å²	80.9	24%	0.241	47%	0.469	C	S	.	.			trans	-86.5	24.7	174.9	-59.4	174.1	0	0	0	112.7	D822 V847 L850 T851 L854	D822-L824 VanDerWaalsContact C-N 3.32Å; D822-L824 PolarHBondContact O-N 2.87Å; L824-V847 HydrophobicContact CB-CG1 3.76Å; L824-V847 HydrophobicContact CD2-CG1 4.02Å; L824-V847 WeakPolarHBondContact O-CG1 3.04Å; L824-L850 HydrophobicContact CD2-CD2 4Å; L824-T851 WeakPolarHBondContact CD1-OG1 3.39Å; L824-L854 HydrophobicContact CD1-CD1 4.15Å
825	T	77.8	Confident	75.9	Confident	76 Å²	76	79.8 Å²	79.8	47%	0.466	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-70.6	147.3	174	61.1	0	0	0	0	110.9	R819 N823	R819-T825 PolarHBondContact NH1-O 2.94Å; R819-T825 PolarHBondContact NH2-O 2.86Å; N823-T825 PolarHBondContact O-N 3.17Å; N823-T825 WeakPolarHBondContact OD1-CB 3.32Å; N823-T825 WeakPolarHBondContact OD1-CG2 3.27Å; N823-T825 PolarHBondContact OD1-N 2.68Å; N823-T825 PolarHBondContact OD1-OG1 2.04Å
826	P	81.4	Confident	75.8	Confident	96 Å²	96	77 Å²	77	62%	0.623	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-61.1	140.3	177.2	-24.3	34.3	0	0	0	113.3	R819 A828 N844	R819-P826 PolarHBondContact NH2-O 3.4Å; P826-A828 PolarHBondContact O-N 2.95Å; P826-N844 WeakPolarHBondContact CA-OD1 3.25Å
827	I	85.4	Confident	75.8	Confident	6 Å²	6	78.7 Å²	78.7	3%	0.031	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-69.6	119	173.7	-58.2	171.4	0	0	0	109	L812 E815 L816 I829 V840 L843 N844	L812-I827 HydrophobicContact CD1-CD1 4.25Å; L812-I827 HydrophobicContact CD1-CG2 3.85Å; E815-I827 HydrophobicContact CG-CG2 4.17Å; L816-I827 HydrophobicContact CD2-CD1 4.16Å; L816-I827 HydrophobicContact CG-CD1 4.45Å; I827-I829 HydrophobicContact CG2-CB 4.43Å; I827-I829 HydrophobicContact CG2-CD1 3.97Å; I827-I829 HydrophobicContact CG2-CG1 3.96Å; I827-V840 HydrophobicContact CB-CG1 4.32Å; I827-V840 HydrophobicContact CG2-CG1 4.21Å; I827-L843 HydrophobicContact CD1-CB 4.03Å; I827-L843 HydrophobicContact CD1-CD1 4.08Å; I827-N844 WeakPolarHBondContact CB-OD1 3.39Å; I827-N844 PolarHBondContact N-OD1 3.36Å; I827-N844 PolarHBondContact O-ND2 3.12Å
828	A	78.5	Confident	76	Confident	81 Å²	81	74.9 Å²	74.9	67%	0.669	45%	0.452	S	S	*	.			trans	-105	59.6	-176	0	0	0	0	0	112.4	P826	P826-A828 PolarHBondContact O-N 2.95Å
829	I	78.6	Confident	76.5	Confident	27 Å²	27	74.7 Å²	74.7	14%	0.138	44%	0.443	C	S	.	.			trans	-104.1	118.8	175.1	-63.2	175.6	0	0	0	109.1	L812 E815 I827 V840	L812-I829 HydrophobicContact CB-CD1 3.82Å; L812-I829 HydrophobicContact CD1-CD1 3.89Å; L812-I829 HydrophobicContact CG-CD1 4.49Å; E815-I829 HydrophobicContact CB-CD1 4.03Å; E815-I829 HydrophobicContact CG-CD1 4.39Å; I827-I829 HydrophobicContact CG2-CB 4.43Å; I827-I829 HydrophobicContact CG2-CD1 3.97Å; I827-I829 HydrophobicContact CG2-CG1 3.96Å; I829-V840 HydrophobicContact CB-CG2 4.42Å
830	H	74.1	Confident	77.2	Confident	182 Å²	182	72.9 Å²	72.9	84%	0.843	44%	0.436	S	S	*	.			trans	-97.5	107.7	177.7	-61.3	-37.5	0	0	0	110
831	S	76.1	Confident	78.2	Confident	18 Å²	18	70.8 Å²	70.8	13%	0.126	43%	0.425	C	S	.	.			trans	-103.1	148	171.5	-170.7	0	0	0	0	110.6	T833	S831-T833 VanDerWaalsContact C-N 3.27Å; S831-T833 PolarHBondContact OG-N 3.35Å; S831-T833 PolarHBondContact OG-OG1 3.31Å
832	A	74.7	Confident	79.5	Confident	112 Å²	112	69.1 Å²	69.1	93%	0.926	41%	0.412	S	S	*	.	S	Bend	trans	-80.7	-8.8	170.8	0	0	0	0	0	112.9
833	T	78.1	Confident	81.1	Confident	35 Å²	35	67.3 Å²	67.3	22%	0.215	40%	0.402	C	S	.	.	S	Bend	trans	-94.6	124.3	178.6	51.9	0	0	0	0	110.3	S831 E835 I836 E837	S831-T833 VanDerWaalsContact C-N 3.27Å; S831-T833 PolarHBondContact OG-N 3.35Å; S831-T833 PolarHBondContact OG-OG1 3.31Å; T833-E835 PolarHBondContact O-N 3.09Å; T833-I836 PolarHBondContact O-N 3.35Å; T833-I836 WeakPolarHBondContact OG1-CB 3.35Å; T833-I836 VanDerWaalsContact OG1-CD1 3.26Å; T833-I836 WeakPolarHBondContact OG1-CD1 3.43Å; T833-I836 VanDerWaalsContact OG1-CG1 3.27Å; T833-I836 WeakPolarHBondContact OG1-CG1 3.48Å; T833-E837 PolarHBondContact O-N 2.59Å; T833-E837 VanDerWaalsContact O-N 3.17Å
834	L	79.9	Confident	82	Confident	133 Å²	133	66.1 Å²	66.1	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-58.9	-33.7	-174.6	-164.6	88.8	0	0	0	111.8	E837 A838	L834-E837 PolarHBondContact O-N 2.86Å; L834-A838 WeakPolarHBondContact O-CB 3.31Å; L834-A838 PolarHBondContact O-N 3.41Å
835	E	83.5	Confident	82.7	Confident	135 Å²	135	66.5 Å²	66.5	63%	0.631	40%	0.398	S	S	*	.	H	α-helix	trans	-68.1	-41.7	-178.8	-58.2	78.2	-172.1	0	0	111.7	T833 A838 V839	T833-E835 PolarHBondContact O-N 3.09Å; E835-A838 PolarHBondContact O-N 3.39Å; E835-V839 WeakPolarHBondContact O-CG2 3.07Å; E835-V839 PolarHBondContact O-N 3.08Å; E835-V839 VanDerWaalsContact O-N 3.13Å
836	I	82	Confident	83	Confident	18 Å²	18	67.3 Å²	67.3	9%	0.092	40%	0.399	C	S	.	.	H	α-helix	trans	-71.4	-39.4	178.8	-60.6	-177	0	0	0	109.7	P808 L809 T833 A838 V839 V840	P808-I836 HydrophobicContact CB-CD1 3.83Å; P808-I836 HydrophobicContact CB-CG2 4.25Å; P808-I836 HydrophobicContact CG-CD1 4.17Å; L809-I836 HydrophobicContact CB-CD1 4.44Å; T833-I836 PolarHBondContact O-N 3.35Å; T833-I836 WeakPolarHBondContact OG1-CB 3.35Å; T833-I836 VanDerWaalsContact OG1-CD1 3.26Å; T833-I836 WeakPolarHBondContact OG1-CD1 3.43Å; T833-I836 VanDerWaalsContact OG1-CG1 3.27Å; T833-I836 WeakPolarHBondContact OG1-CG1 3.48Å; I836-A838 VanDerWaalsContact C-N 3.32Å; I836-A838 PolarHBondContact O-N 3.3Å; I836-V839 PolarHBondContact O-N 3.14Å; I836-V840 HydrophobicContact CG2-CG2 4.44Å; I836-V840 WeakPolarHBondContact O-CG2 3.27Å; I836-V840 PolarHBondContact O-N 2.98Å
837	E	84.3	Confident	83.1	Confident	113 Å²	113	63.8 Å²	63.8	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-40.2	174.9	-168.6	173.3	-165.7	0	0	111.9	T833 L834 V839 V840 S841	T833-E837 PolarHBondContact O-N 2.59Å; T833-E837 VanDerWaalsContact O-N 3.17Å; L834-E837 PolarHBondContact O-N 2.86Å; E837-V839 PolarHBondContact O-N 3.11Å; E837-V840 PolarHBondContact O-N 2.76Å; E837-S841 WeakPolarHBondContact O-CB 3.46Å; E837-S841 PolarHBondContact O-N 2.75Å
838	A	84.2	Confident	83	Confident	60 Å²	60	66.8 Å²	66.8	50%	0.496	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-40.6	175	0	0	0	0	0	112.7	L834 E835 I836 S841 A842	L834-A838 WeakPolarHBondContact O-CB 3.31Å; L834-A838 PolarHBondContact O-N 3.41Å; E835-A838 PolarHBondContact O-N 3.39Å; I836-A838 VanDerWaalsContact C-N 3.32Å; I836-A838 PolarHBondContact O-N 3.3Å; A838-S841 PolarHBondContact O-N 3.38Å; A838-A842 WeakPolarHBondContact O-CB 3.43Å; A838-A842 PolarHBondContact O-N 3.38Å
839	V	88.1	Confident	83.1	Confident	73 Å²	73	67.9 Å²	67.9	44%	0.442	38%	0.384	S	S	.	.	H	α-helix	trans	-65.7	-46.2	176.1	173.6	0	0	0	0	111	L812 E835 I836 E837 S841 A842 L843	L812-V839 HydrophobicContact CD2-CG1 4.07Å; E835-V839 WeakPolarHBondContact O-CG2 3.07Å; E835-V839 PolarHBondContact O-N 3.08Å; E835-V839 VanDerWaalsContact O-N 3.13Å; I836-V839 PolarHBondContact O-N 3.14Å; E837-V839 PolarHBondContact O-N 3.11Å; V839-S841 VanDerWaalsContact C-N 3.29Å; V839-S841 PolarHBondContact O-N 3.48Å; V839-A842 PolarHBondContact O-N 3.3Å; V839-L843 HydrophobicContact CG1-CD1 4.16Å; V839-L843 WeakPolarHBondContact O-CG 3.48Å; V839-L843 PolarHBondContact O-N 3.33Å
840	V	88.6	Confident	83.2	Confident	9 Å²	9	70.7 Å²	70.7	6%	0.055	40%	0.399	C	S	.	.	H	α-helix	trans	-59.6	-41.7	176.3	173.9	0	0	0	0	110.8	L812 I827 I829 I836 E837 L843 N844	L812-V840 HydrophobicContact CD1-CG2 4.09Å; L812-V840 HydrophobicContact CD2-CG2 4.05Å; I827-V840 HydrophobicContact CB-CG1 4.32Å; I827-V840 HydrophobicContact CG2-CG1 4.21Å; I829-V840 HydrophobicContact CB-CG2 4.42Å; I836-V840 HydrophobicContact CG2-CG2 4.44Å; I836-V840 WeakPolarHBondContact O-CG2 3.27Å; I836-V840 PolarHBondContact O-N 2.98Å; E837-V840 PolarHBondContact O-N 2.76Å; V840-L843 PolarHBondContact O-N 2.81Å; V840-N844 WeakPolarHBondContact O-CB 3.3Å; V840-N844 PolarHBondContact O-N 3.22Å; V840-N844 PolarHBondContact O-ND2 2.82Å
841	S	87.7	Confident	83.4	Confident	43 Å²	43	64.1 Å²	64.1	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-63	-45.1	175.5	-170.7	0	0	0	0	112.3	E837 A838 V839 L843 N844 D845	E837-S841 WeakPolarHBondContact O-CB 3.46Å; E837-S841 PolarHBondContact O-N 2.75Å; A838-S841 PolarHBondContact O-N 3.38Å; V839-S841 VanDerWaalsContact C-N 3.29Å; V839-S841 PolarHBondContact O-N 3.48Å; S841-L843 VanDerWaalsContact C-N 3.31Å; S841-L843 PolarHBondContact O-N 3.18Å; S841-N844 PolarHBondContact O-N 2.76Å; S841-D845 PolarHBondContact O-N 2.82Å
842	A	88.6	Confident	83.3	Confident	41 Å²	41	66.1 Å²	66.1	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-34.3	-179.7	0	0	0	0	0	112.7	A838 V839 L846	A838-A842 WeakPolarHBondContact O-CB 3.43Å; A838-A842 PolarHBondContact O-N 3.38Å; V839-A842 PolarHBondContact O-N 3.3Å; A842-L846 PolarHBondContact O-N 3.05Å
843	L	89.4	Confident	83.2	Confident	47 Å²	47	64.9 Å²	64.9	25%	0.246	37%	0.366	C	S	.	.	H	α-helix	trans	-67.4	-46.5	172.5	-74	169.6	0	0	0	111.2	L812 L816 I827 V839 V840 S841 D845 L846 V847	L812-L843 HydrophobicContact CD1-CD1 4.17Å; L812-L843 HydrophobicContact CD2-CD1 4.32Å; L816-L843 HydrophobicContact CD1-CD1 4.06Å; L816-L843 HydrophobicContact CD2-CD1 4.46Å; I827-L843 HydrophobicContact CD1-CB 4.03Å; I827-L843 HydrophobicContact CD1-CD1 4.08Å; V839-L843 HydrophobicContact CG1-CD1 4.16Å; V839-L843 WeakPolarHBondContact O-CG 3.48Å; V839-L843 PolarHBondContact O-N 3.33Å; V840-L843 PolarHBondContact O-N 2.81Å; S841-L843 VanDerWaalsContact C-N 3.31Å; S841-L843 PolarHBondContact O-N 3.18Å; L843-D845 VanDerWaalsContact C-N 3.28Å; L843-D845 PolarHBondContact O-N 2.74Å; L843-L846 WeakPolarHBondContact O-CB 3.3Å; L843-L846 PolarHBondContact O-N 3.23Å; L843-L846 VanDerWaalsContact O-N 3.07Å; L843-V847 WeakPolarHBondContact O-CG2 3.33Å; L843-V847 PolarHBondContact O-N 3.4Å
844	N	89.1	Confident	83	Confident	38 Å²	38	66.5 Å²	66.5	20%	0.203	37%	0.373	C	S	.	.	H	α-helix	trans	-60.7	-36.7	177.1	-75	-20	0	0	0	112.5	P826 I827 V840 S841 V847 S848	P826-N844 WeakPolarHBondContact CA-OD1 3.25Å; I827-N844 WeakPolarHBondContact CB-OD1 3.39Å; I827-N844 PolarHBondContact N-OD1 3.36Å; I827-N844 PolarHBondContact O-ND2 3.12Å; V840-N844 WeakPolarHBondContact O-CB 3.3Å; V840-N844 PolarHBondContact O-N 3.22Å; V840-N844 PolarHBondContact O-ND2 2.82Å; S841-N844 PolarHBondContact O-N 2.76Å; N844-V847 PolarHBondContact O-N 3.22Å; N844-S848 WeakPolarHBondContact O-CB 3.45Å; N844-S848 PolarHBondContact O-N 2.88Å
845	D	85.9	Confident	82.4	Confident	54 Å²	54	63.5 Å²	63.5	29%	0.289	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-41.2	172.7	-79.1	-16.5	0	0	0	112.5	S841 L843 S848 R849	S841-D845 PolarHBondContact O-N 2.82Å; L843-D845 VanDerWaalsContact C-N 3.28Å; L843-D845 PolarHBondContact O-N 2.74Å; D845-S848 PolarHBondContact O-N 2.74Å; D845-R849 WeakPolarHBondContact O-CG 3.44Å; D845-R849 PolarHBondContact O-N 2.91Å
846	L	83.9	Confident	81.6	Confident	93 Å²	93	62.1 Å²	62.1	49%	0.487	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-44.9	178	-176	146	0	0	0	110.9	A842 L843 S848 R849 L850	A842-L846 PolarHBondContact O-N 3.05Å; L843-L846 WeakPolarHBondContact O-CB 3.3Å; L843-L846 PolarHBondContact O-N 3.23Å; L843-L846 VanDerWaalsContact O-N 3.07Å; L846-S848 VanDerWaalsContact C-N 3.31Å; L846-S848 PolarHBondContact O-N 3.24Å; L846-R849 PolarHBondContact O-N 3.12Å; L846-L850 WeakPolarHBondContact O-CB 3.4Å; L846-L850 PolarHBondContact O-N 3.21Å
847	V	85.2	Confident	80.7	Confident	21 Å²	21	66.1 Å²	66.1	13%	0.127	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-42.4	175.7	172.7	0	0	0	0	111	L824 L843 N844 L850 T851	L824-V847 HydrophobicContact CB-CG1 3.76Å; L824-V847 HydrophobicContact CD2-CG1 4.02Å; L824-V847 WeakPolarHBondContact O-CG1 3.04Å; L843-V847 WeakPolarHBondContact O-CG2 3.33Å; L843-V847 PolarHBondContact O-N 3.4Å; N844-V847 PolarHBondContact O-N 3.22Å; V847-L850 PolarHBondContact O-N 3Å; V847-T851 PolarHBondContact O-N 3.03Å; V847-T851 PolarHBondContact O-OG1 3.21Å
848	S	82.4	Confident	79.5	Confident	69 Å²	69	66.4 Å²	66.4	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-64.4	-42.7	177	-178.4	0	0	0	0	113.1	N844 D845 L846 T851 S852	N844-S848 WeakPolarHBondContact O-CB 3.45Å; N844-S848 PolarHBondContact O-N 2.88Å; D845-S848 PolarHBondContact O-N 2.74Å; L846-S848 VanDerWaalsContact C-N 3.31Å; L846-S848 PolarHBondContact O-N 3.24Å; S848-T851 PolarHBondContact O-N 2.66Å; S848-S852 PolarHBondContact O-N 3.26Å; S848-S852 PolarHBondContact O-OG 3.27Å
849	R	80.8	Confident	78.3	Confident	105 Å²	105	68.5 Å²	68.5	40%	0.396	37%	0.372	S	S	.	.	H	α-helix	trans	-64.7	-40.8	175.3	-72.7	178.4	-172.9	-149.3	-0.5	112.1	D845 L846 S852 T853	D845-R849 WeakPolarHBondContact O-CG 3.44Å; D845-R849 PolarHBondContact O-N 2.91Å; L846-R849 PolarHBondContact O-N 3.12Å; R849-S852 PolarHBondContact O-N 3.14Å; R849-T853 WeakPolarHBondContact O-CB 3.47Å; R849-T853 PolarHBondContact O-N 3.1Å; R849-T853 PolarHBondContact O-OG1 3.28Å
850	L	79.9	Confident	77.2	Confident	86 Å²	86	71.4 Å²	71.4	45%	0.45	38%	0.378	S	S	.	.	H	α-helix	trans	-62.8	-46.1	177.6	-167.6	70.4	0	0	0	110.6	L824 L846 V847 S852 T853 L854	L824-L850 HydrophobicContact CD2-CD2 4Å; L846-L850 WeakPolarHBondContact O-CB 3.4Å; L846-L850 PolarHBondContact O-N 3.21Å; V847-L850 PolarHBondContact O-N 3Å; L850-S852 VanDerWaalsContact C-N 3.33Å; L850-S852 PolarHBondContact O-N 3.3Å; L850-T853 PolarHBondContact O-N 2.57Å; L850-L854 HydrophobicContact CG-CD1 4.24Å; L850-L854 WeakPolarHBondContact O-CG 3.26Å; L850-L854 PolarHBondContact O-N 2.65Å
851	T	78.5	Confident	75.8	Confident	44 Å²	44	72 Å²	72	27%	0.27	38%	0.382	S	S	.	.	H	α-helix	trans	-56.2	-48.2	175.4	-50.2	0	0	0	0	111	L824 V847 S848 T853 L854 D855	L824-T851 WeakPolarHBondContact CD1-OG1 3.39Å; V847-T851 PolarHBondContact O-N 3.03Å; V847-T851 PolarHBondContact O-OG1 3.21Å; S848-T851 PolarHBondContact O-N 2.66Å; T851-T853 VanDerWaalsContact C-N 3.34Å; T851-T853 PolarHBondContact O-N 2.92Å; T851-L854 PolarHBondContact O-N 3.36Å; T851-D855 PolarHBondContact O-N 3.4Å
852	S	74.1	Confident	74.5	Confident	60 Å²	60	71.3 Å²	71.3	42%	0.42	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-37.3	179.9	-55.7	0	0	0	0	112.8	S848 R849 L850 N856	S848-S852 PolarHBondContact O-N 3.26Å; S848-S852 PolarHBondContact O-OG 3.27Å; R849-S852 PolarHBondContact O-N 3.14Å; L850-S852 VanDerWaalsContact C-N 3.33Å; L850-S852 PolarHBondContact O-N 3.3Å; S852-N856 WeakPolarHBondContact O-CB 3.3Å; S852-N856 PolarHBondContact O-N 2.92Å; S852-N856 PolarHBondContact O-ND2 2.82Å
853	T	73.6	Confident	73.3	Confident	86 Å²	86	74 Å²	74	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-44.1	179	-54.9	0	0	0	0	110.8	R849 L850 T851 N856 E857	R849-T853 WeakPolarHBondContact O-CB 3.47Å; R849-T853 PolarHBondContact O-N 3.1Å; R849-T853 PolarHBondContact O-OG1 3.28Å; L850-T853 PolarHBondContact O-N 2.57Å; T851-T853 VanDerWaalsContact C-N 3.34Å; T851-T853 PolarHBondContact O-N 2.92Å; T853-N856 PolarHBondContact O-N 3.34Å; T853-E857 PolarHBondContact O-N 3.31Å; T853-E857 VanDerWaalsContact O-N 3.07Å
854	L	72.3	Confident	72.3	Confident	69 Å²	69	74 Å²	74	36%	0.361	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-40	177.1	-69	169.6	0	0	0	111.9	L824 L850 T851 E857 R858	L824-L854 HydrophobicContact CD1-CD1 4.15Å; L850-L854 HydrophobicContact CG-CD1 4.24Å; L850-L854 WeakPolarHBondContact O-CG 3.26Å; L850-L854 PolarHBondContact O-N 2.65Å; T851-L854 PolarHBondContact O-N 3.36Å; L854-E857 PolarHBondContact O-N 3.05Å; L854-R858 WeakPolarHBondContact O-CG 3.46Å; L854-R858 PolarHBondContact O-N 2.78Å; L854-R858 VanDerWaalsContact O-N 3.15Å
855	D	69.2	Low	71.2	Confident	70 Å²	70	73.1 Å²	73.1	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-68.7	-36.9	177	-72.8	-24	0	0	0	112.6	T851 R858 L859	T851-D855 PolarHBondContact O-N 3.4Å; D855-R858 WeakPolarHBondContact O-CB 3.45Å; D855-R858 PolarHBondContact O-N 3.37Å; D855-R858 IonicContact OD1-NH1 3.42Å; D855-R858 PolarHBondContact OD1-NH1 2.86Å; D855-R858 VanDerWaalsContact OD1-NH1 3.16Å; D855-L859 WeakPolarHBondContact O-CG 3.25Å; D855-L859 PolarHBondContact O-N 3.33Å
856	N	65.2	Low	70.4	Confident	106 Å²	106	75.1 Å²	75.1	57%	0.567	40%	0.396	S	S	*	.	H	α-helix	trans	-65.6	-38.9	174.7	-74.7	-21.7	0	0	0	112.5	S852 T853 R858 L859 F860	S852-N856 WeakPolarHBondContact O-CB 3.3Å; S852-N856 PolarHBondContact O-N 2.92Å; S852-N856 PolarHBondContact O-ND2 2.82Å; T853-N856 PolarHBondContact O-N 3.34Å; N856-R858 VanDerWaalsContact C-N 3.34Å; N856-L859 PolarHBondContact O-N 2.99Å; N856-F860 WeakPolarHBondContact O-CB 3.15Å; N856-F860 PolarHBondContact O-N 3.23Å
857	E	62.7	Low	69.8	Low	102 Å²	102	76.9 Å²	76.9	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-66.2	-37.7	176.8	-163	-173.2	143.3	0	0	111.7	T853 L854 F860 T861 Q915	T853-E857 PolarHBondContact O-N 3.31Å; T853-E857 VanDerWaalsContact O-N 3.07Å; L854-E857 PolarHBondContact O-N 3.05Å; E857-F860 PolarHBondContact O-N 2.74Å; E857-T861 PolarHBondContact O-N 3.36Å; E857-T861 PolarHBondContact O-OG1 3.07Å; E857-Q915 PolarHBondContact OE1-NE2 3.19Å; E857-Q915 VanDerWaalsContact OE1-NE2 3.12Å
858	R	60.6	Low	69.4	Low	119 Å²	119	79.6 Å²	79.6	45%	0.449	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-42.5	172.3	-74.4	170.5	175.8	166.8	-3.7	112.3	L854 D855 N856 T861 A862	L854-R858 WeakPolarHBondContact O-CG 3.46Å; L854-R858 PolarHBondContact O-N 2.78Å; L854-R858 VanDerWaalsContact O-N 3.15Å; D855-R858 WeakPolarHBondContact O-CB 3.45Å; D855-R858 PolarHBondContact O-N 3.37Å; D855-R858 IonicContact OD1-NH1 3.42Å; D855-R858 PolarHBondContact OD1-NH1 2.86Å; D855-R858 VanDerWaalsContact OD1-NH1 3.16Å; N856-R858 VanDerWaalsContact C-N 3.34Å; R858-T861 PolarHBondContact O-OG1 2.7Å; R858-T861 VanDerWaalsContact O-OG1 3.05Å; R858-A862 PolarHBondContact O-N 3.05Å
859	L	57.9	Low	69	Low	103 Å²	103	83.2 Å²	83.2	54%	0.539	42%	0.418	S	S	.	.	H	α-helix	trans	-65.3	-45.2	175.7	-73.9	166.7	0	0	0	111.3	D855 N856 T861 A862 D863	D855-L859 WeakPolarHBondContact O-CG 3.25Å; D855-L859 PolarHBondContact O-N 3.33Å; N856-L859 PolarHBondContact O-N 2.99Å; L859-T861 PolarHBondContact O-N 3.42Å; L859-A862 WeakPolarHBondContact O-CA 3.36Å; L859-A862 WeakPolarHBondContact O-CB 3.45Å; L859-A862 PolarHBondContact O-N 2.88Å; L859-D863 PolarHBondContact O-N 3.46Å
860	F	65.3	Low	68.7	Low	134 Å²	134	81.9 Å²	81.9	59%	0.588	42%	0.421	S	S	*	.	H	α-helix	trans	-59.3	-46.2	179.7	177.2	-103.3	0	0	0	112.8	N856 E857 A862 D863 V864	N856-F860 WeakPolarHBondContact O-CB 3.15Å; N856-F860 PolarHBondContact O-N 3.23Å; E857-F860 PolarHBondContact O-N 2.74Å; F860-A862 PolarHBondContact O-N 2.78Å; F860-D863 PolarHBondContact O-N 3.38Å; F860-V864 HydrophobicContact CD1-CG2 4.3Å; F860-V864 HydrophobicContact CD2-CG2 4.32Å; F860-V864 HydrophobicContact CE1-CG2 3.84Å; F860-V864 HydrophobicContact CE2-CG2 3.86Å; F860-V864 HydrophobicContact CZ-CG2 3.6Å; F860-V864 WeakPolarHBondContact O-CG2 3.38Å; F860-V864 PolarHBondContact O-N 2.86Å
861	T	59.4	Low	68.6	Low	21 Å²	21	81.3 Å²	81.3	13%	0.129	42%	0.423	C	S	.	.	H	α-helix	trans	-64.9	-26.8	176.7	53	0	0	0	0	112.5	E857 R858 L859	E857-T861 PolarHBondContact O-N 3.36Å; E857-T861 PolarHBondContact O-OG1 3.07Å; R858-T861 PolarHBondContact O-OG1 2.7Å; R858-T861 VanDerWaalsContact O-OG1 3.05Å; L859-T861 PolarHBondContact O-N 3.42Å
862	A	60.5	Low	68.8	Low	30 Å²	30	80.5 Å²	80.5	25%	0.248	42%	0.417	C	S	.	.	H	α-helix	trans	-74.5	-38.3	171.8	0	0	0	0	0	113.8	R858 L859 F860 A865 H866 R912	R858-A862 PolarHBondContact O-N 3.05Å; L859-A862 WeakPolarHBondContact O-CA 3.36Å; L859-A862 WeakPolarHBondContact O-CB 3.45Å; L859-A862 PolarHBondContact O-N 2.88Å; F860-A862 PolarHBondContact O-N 2.78Å; A862-A865 WeakPolarHBondContact O-CB 3.23Å; A862-A865 PolarHBondContact O-N 3.23Å; A862-H866 PolarHBondContact O-N 2.94Å; A862-R912 VanDerWaalsContact CA-NH2 3.28Å; A862-R912 VanDerWaalsContact CB-NH2 3.29Å
863	D	62.7	Low	69	Low	96 Å²	96	79.9 Å²	79.9	51%	0.513	42%	0.415	S	S	.	.	H	α-helix	trans	-69.4	-44.5	179	-66.6	-23	0	0	0	111.2	L859 F860 A865 H866 E867	L859-D863 PolarHBondContact O-N 3.46Å; F860-D863 PolarHBondContact O-N 3.38Å; D863-A865 PolarHBondContact O-N 3.12Å; D863-H866 WeakPolarHBondContact O-CB 3.34Å; D863-H866 PolarHBondContact O-N 3.42Å; D863-E867 WeakPolarHBondContact O-CG 3.47Å; D863-E867 PolarHBondContact O-N 3.4Å
864	V	69.2	Low	69.5	Low	47 Å²	47	77.1 Å²	77.1	29%	0.285	40%	0.404	S	S	.	.	H	α-helix	trans	-57.4	-38.4	176.3	172.9	0	0	0	0	111.6	F860 H866 E867 L868	F860-V864 HydrophobicContact CD1-CG2 4.3Å; F860-V864 HydrophobicContact CD2-CG2 4.32Å; F860-V864 HydrophobicContact CE1-CG2 3.84Å; F860-V864 HydrophobicContact CE2-CG2 3.86Å; F860-V864 HydrophobicContact CZ-CG2 3.6Å; F860-V864 WeakPolarHBondContact O-CG2 3.38Å; F860-V864 PolarHBondContact O-N 2.86Å; V864-H866 VanDerWaalsContact C-N 3.34Å; V864-H866 PolarHBondContact O-N 3.42Å; V864-E867 PolarHBondContact O-N 3.43Å; V864-L868 HydrophobicContact CG1-CD1 3.85Å; V864-L868 HydrophobicContact CG1-CG 4.33Å; V864-L868 WeakPolarHBondContact O-CB 3.37Å; V864-L868 WeakPolarHBondContact O-CG 3.45Å; V864-L868 PolarHBondContact O-N 2.93Å
865	A	66.1	Low	70.2	Confident	21 Å²	21	77.2 Å²	77.2	17%	0.174	41%	0.407	C	S	.	.	H	α-helix	trans	-59.5	-44.5	175.1	0	0	0	0	0	112.7	A862 D863 R869 L908	A862-A865 WeakPolarHBondContact O-CB 3.23Å; A862-A865 PolarHBondContact O-N 3.23Å; D863-A865 PolarHBondContact O-N 3.12Å; A865-R869 WeakPolarHBondContact O-CB 3.33Å; A865-R869 PolarHBondContact O-N 3.14Å; A865-L908 VanDerWaalsContact CA-CD1 3.44Å; A865-L908 HydrophobicContact CB-CD1 3.44Å; A865-L908 VanDerWaalsContact CB-CD1 3.44Å; A865-L908 HydrophobicContact CB-CD2 4.21Å; A865-L908 HydrophobicContact CB-CG 4.27Å
866	H	68.3	Low	71.1	Confident	96 Å²	96	78 Å²	78	44%	0.444	41%	0.405	S	S	.	.	H	α-helix	trans	-70.2	-42.5	-178.7	-163.6	-67	0	0	0	111.5	A862 D863 V864 L868 R869 T870	A862-H866 PolarHBondContact O-N 2.94Å; D863-H866 WeakPolarHBondContact O-CB 3.34Å; D863-H866 PolarHBondContact O-N 3.42Å; V864-H866 VanDerWaalsContact C-N 3.34Å; V864-H866 PolarHBondContact O-N 3.42Å; H866-L868 PolarHBondContact O-N 2.95Å; H866-R869 PolarHBondContact O-N 2.78Å; H866-T870 PolarHBondContact O-N 3.44Å; H866-T870 PolarHBondContact O-OG1 3.28Å
867	E	72.9	Confident	72.1	Confident	129 Å²	129	77.6 Å²	77.6	60%	0.603	40%	0.402	S	S	*	.	H	α-helix	trans	-69.2	-29.2	-179.4	-70.3	-55.3	122.6	0	0	113.1	D863 V864 P871	D863-E867 WeakPolarHBondContact O-CG 3.47Å; D863-E867 PolarHBondContact O-N 3.4Å; V864-E867 PolarHBondContact O-N 3.43Å; E867-P871 WeakPolarHBondContact O-CD 3.28Å; E867-P871 VanDerWaalsContact O-CG 3.27Å; E867-P871 WeakPolarHBondContact O-CG 3.33Å
868	L	76.5	Confident	73.2	Confident	79 Å²	79	78.7 Å²	78.7	41%	0.414	41%	0.407	S	S	.	.	H	α-helix	trans	-80.4	-36.2	173.6	-69.9	174.9	0	0	0	112.5	V864 H866 P871 L872 V904	V864-L868 HydrophobicContact CG1-CD1 3.85Å; V864-L868 HydrophobicContact CG1-CG 4.33Å; V864-L868 WeakPolarHBondContact O-CB 3.37Å; V864-L868 WeakPolarHBondContact O-CG 3.45Å; V864-L868 PolarHBondContact O-N 2.93Å; H866-L868 PolarHBondContact O-N 2.95Å; L868-P871 WeakPolarHBondContact O-CD 3.32Å; L868-P871 WeakPolarHBondContact O-CG 3.45Å; L868-L872 WeakPolarHBondContact O-CD1 3.46Å; L868-L872 WeakPolarHBondContact O-CG 3.42Å; L868-V904 HydrophobicContact CB-CG1 4.25Å; L868-V904 HydrophobicContact CD1-CG1 3.92Å
869	R	72.9	Confident	74.5	Confident	145 Å²	145	74.2 Å²	74.2	55%	0.547	39%	0.392	S	S	.	.	H	α-helix	trans	-67.5	-39	-177.6	-174.1	176.2	63.9	168.8	-0.3	112.7	A865 H866 L872 A873 M901	A865-R869 WeakPolarHBondContact O-CB 3.33Å; A865-R869 PolarHBondContact O-N 3.14Å; H866-R869 PolarHBondContact O-N 2.78Å; R869-L872 PolarHBondContact O-N 2.76Å; R869-A873 WeakPolarHBondContact O-CB 3.37Å; R869-A873 PolarHBondContact O-N 3.15Å; R869-M901 HydrophobicContact CG-CE 4.24Å
870	T	74.3	Confident	75.8	Confident	77 Å²	77	73.1 Å²	73.1	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-61.9	-52.6	-175.2	-52.5	0	0	0	0	113.7	H866 L872 A873 G874	H866-T870 PolarHBondContact O-N 3.44Å; H866-T870 PolarHBondContact O-OG1 3.28Å; T870-L872 VanDerWaalsContact C-N 3.34Å; T870-L872 PolarHBondContact O-N 3.31Å; T870-A873 PolarHBondContact O-N 3.36Å; T870-G874 PolarHBondContact O-N 2.9Å
871	P	78.3	Confident	76.8	Confident	74 Å²	74	71 Å²	71	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-66.5	-35.8	177.8	26.3	-34.5	0	0	0	111.9	E867 L868 G874 V875	E867-P871 WeakPolarHBondContact O-CD 3.28Å; E867-P871 VanDerWaalsContact O-CG 3.27Å; E867-P871 WeakPolarHBondContact O-CG 3.33Å; L868-P871 WeakPolarHBondContact O-CD 3.32Å; L868-P871 WeakPolarHBondContact O-CG 3.45Å; P871-G874 CarbonylContact O-C 3.53Å; P871-G874 WeakPolarHBondContact O-CA 3.12Å; P871-G874 PolarHBondContact O-N 2.73Å; P871-G874 VanDerWaalsContact O-N 3.09Å; P871-V875 WeakPolarHBondContact O-CG2 3.23Å; P871-V875 PolarHBondContact O-N 3.28Å
872	L	83	Confident	78	Confident	27 Å²	27	73.8 Å²	73.8	14%	0.141	39%	0.392	C	S	.	.	H	α-helix	trans	-65	-40.9	177.6	-65.2	178.9	0	0	0	112.3	L868 R869 T870 G874 V875 R876 L897 M900 M901	L868-L872 WeakPolarHBondContact O-CD1 3.46Å; L868-L872 WeakPolarHBondContact O-CG 3.42Å; R869-L872 PolarHBondContact O-N 2.76Å; T870-L872 VanDerWaalsContact C-N 3.34Å; T870-L872 PolarHBondContact O-N 3.31Å; L872-G874 VanDerWaalsContact C-N 3.28Å; L872-G874 PolarHBondContact O-N 3.26Å; L872-V875 PolarHBondContact O-N 3.1Å; L872-R876 WeakPolarHBondContact O-CB 3.35Å; L872-R876 PolarHBondContact O-N 2.92Å; L872-L897 HydrophobicContact CD2-CD2 3.88Å; L872-M900 HydrophobicContact CD1-CE 3.79Å; L872-M900 HydrophobicContact CD2-CE 3.14Å; L872-M900 HydrophobicContact CG-CE 4.09Å; L872-M901 HydrophobicContact CB-CG 3.7Å; L872-M901 HydrophobicContact CB-SD 3.86Å; L872-M901 HydrophobicContact CD1-CG 3.72Å; L872-M901 HydrophobicContact CG-CG 4.33Å
873	A	78.9	Confident	79.2	Confident	47 Å²	47	73.7 Å²	73.7	39%	0.388	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-37.7	170.6	0	0	0	0	0	111.8	R869 T870 R876 L877	R869-A873 WeakPolarHBondContact O-CB 3.37Å; R869-A873 PolarHBondContact O-N 3.15Å; T870-A873 PolarHBondContact O-N 3.36Å; A873-R876 PolarHBondContact O-N 2.9Å; A873-L877 PolarHBondContact O-N 3.46Å
874	G	83.8	Confident	80.2	Confident	28 Å²	28	77.4 Å²	77.4	29%	0.289	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-46.4	173	0	0	0	0	0	113.1	T870 P871 L872 R876 L877 H878	T870-G874 PolarHBondContact O-N 2.9Å; P871-G874 CarbonylContact O-C 3.53Å; P871-G874 WeakPolarHBondContact O-CA 3.12Å; P871-G874 PolarHBondContact O-N 2.73Å; P871-G874 VanDerWaalsContact O-N 3.09Å; L872-G874 VanDerWaalsContact C-N 3.28Å; L872-G874 PolarHBondContact O-N 3.26Å; G874-R876 VanDerWaalsContact C-N 3.35Å; G874-L877 PolarHBondContact O-N 2.86Å; G874-H878 PolarHBondContact O-N 3.47Å; G874-H878 VanDerWaalsContact O-N 3.07Å; G874-H878 PolarHBondContact O-ND1 3.46Å
875	V	86.7	Confident	80.9	Confident	70 Å²	70	79.5 Å²	79.5	42%	0.424	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-42.3	176.8	177.6	0	0	0	0	110.8	P871 L872 L877 H878 L879 L897	P871-V875 WeakPolarHBondContact O-CG2 3.23Å; P871-V875 PolarHBondContact O-N 3.28Å; L872-V875 PolarHBondContact O-N 3.1Å; V875-L877 PolarHBondContact O-N 2.99Å; V875-H878 PolarHBondContact O-N 3.35Å; V875-L879 HydrophobicContact CG1-CD1 4.32Å; V875-L879 WeakPolarHBondContact O-CG 3.43Å; V875-L879 PolarHBondContact O-N 3.04Å; V875-L897 HydrophobicContact CB-CD1 4.38Å; V875-L897 HydrophobicContact CB-CD2 4.39Å; V875-L897 HydrophobicContact CG1-CD1 3.6Å; V875-L897 HydrophobicContact CG1-CD2 4.19Å
876	R	88.4	Confident	81.8	Confident	87 Å²	87	84 Å²	84	33%	0.328	43%	0.433	S	S	.	.	H	α-helix	trans	-56.9	-47.8	175.6	-175.5	173.7	-178.2	-82.7	-22.9	111.5	L872 A873 G874 H878 L879 E880 V894 D898	L872-R876 WeakPolarHBondContact O-CB 3.35Å; L872-R876 PolarHBondContact O-N 2.92Å; A873-R876 PolarHBondContact O-N 2.9Å; G874-R876 VanDerWaalsContact C-N 3.35Å; R876-H878 PolarHBondContact O-N 3.3Å; R876-L879 PolarHBondContact O-N 3.41Å; R876-E880 IonicContact CZ-OE1 3.3Å; R876-E880 IonicContact NE-OE1 2.99Å; R876-E880 IonicContact NH1-OE1 3.76Å; R876-E880 IonicContact NH2-OE1 3.7Å; R876-E880 PolarHBondContact NH2-OE1 3.34Å; R876-E880 VanDerWaalsContact NH2-OE1 3.08Å; R876-E880 WeakPolarHBondContact O-CG 3.47Å; R876-E880 PolarHBondContact O-N 3.49Å; R876-V894 HydrophobicContact CG-CG1 4.33Å; R876-D898 WeakPolarHBondContact CD-OD1 3.42Å; R876-D898 IonicContact CZ-OD1 3.72Å; R876-D898 IonicContact NE-OD1 3.05Å; R876-D898 PolarHBondContact NE-OD1 3.16Å; R876-D898 IonicContact NE-OD2 3.52Å
877	L	85.1	Confident	82.3	Confident	98 Å²	98	87.8 Å²	87.8	51%	0.513	45%	0.45	S	S	.	.	H	α-helix	trans	-60.6	-41.6	176.6	-176.4	70.4	0	0	0	112.5	A873 G874 V875 L879 E880 L881	A873-L877 PolarHBondContact O-N 3.46Å; G874-L877 PolarHBondContact O-N 2.86Å; V875-L877 PolarHBondContact O-N 2.99Å; L877-L879 VanDerWaalsContact C-N 3.35Å; L877-E880 PolarHBondContact O-N 3.45Å; L877-L881 HydrophobicContact CG-CD1 4.22Å; L877-L881 WeakPolarHBondContact O-CB 3.37Å; L877-L881 PolarHBondContact O-N 3.05Å
878	H	86	Confident	82.8	Confident	124 Å²	124	86.3 Å²	86.3	57%	0.574	45%	0.446	S	S	*	.	H	α-helix	trans	-65	-38.7	177.8	-78.1	80.3	0	0	0	112.1	G874 V875 R876 L881 L882	G874-H878 PolarHBondContact O-N 3.47Å; G874-H878 VanDerWaalsContact O-N 3.07Å; G874-H878 PolarHBondContact O-ND1 3.46Å; V875-H878 PolarHBondContact O-N 3.35Å; R876-H878 PolarHBondContact O-N 3.3Å; H878-L881 PolarHBondContact O-N 3.42Å; H878-L882 WeakPolarHBondContact O-CB 3.32Å; H878-L882 WeakPolarHBondContact O-CG 3.48Å; H878-L882 PolarHBondContact O-N 3.39Å
879	L	87.7	Confident	83.1	Confident	25 Å²	25	88.4 Å²	88.4	13%	0.131	46%	0.457	C	S	.	.	H	α-helix	trans	-64.7	-45.9	174.7	-72.1	171.1	0	0	0	111.5	V875 R876 L877 L881 L882 A883 V890 L893 V894 L897	V875-L879 HydrophobicContact CG1-CD1 4.32Å; V875-L879 WeakPolarHBondContact O-CG 3.43Å; V875-L879 PolarHBondContact O-N 3.04Å; R876-L879 PolarHBondContact O-N 3.41Å; L877-L879 VanDerWaalsContact C-N 3.35Å; L879-L881 VanDerWaalsContact C-N 3.29Å; L879-L881 PolarHBondContact O-N 3.08Å; L879-L882 PolarHBondContact O-N 3.23Å; L879-L882 VanDerWaalsContact O-N 3.15Å; L879-A883 PolarHBondContact O-N 3.19Å; L879-V890 HydrophobicContact CB-CB 4.38Å; L879-V890 HydrophobicContact CB-CG2 4.31Å; L879-V890 HydrophobicContact CD2-CG1 4.43Å; L879-L893 HydrophobicContact CD1-CB 3.91Å; L879-L893 HydrophobicContact CD2-CB 4.35Å; L879-L893 HydrophobicContact CD2-CD1 4.05Å; L879-V894 HydrophobicContact CB-CG2 3.97Å; L879-V894 HydrophobicContact CD1-CG2 4.29Å; L879-L897 HydrophobicContact CD1-CD1 3.19Å; L879-L897 HydrophobicContact CG-CD1 4.5Å
880	E	86.4	Confident	83.8	Confident	81 Å²	81	82.1 Å²	82.1	38%	0.379	44%	0.435	S	S	.	.	H	α-helix	trans	-58.9	-40.2	175.8	-71.1	177.4	176.3	0	0	111.6	R876 L877 K884	R876-E880 IonicContact CZ-OE1 3.3Å; R876-E880 IonicContact NE-OE1 2.99Å; R876-E880 IonicContact NH1-OE1 3.76Å; R876-E880 IonicContact NH2-OE1 3.7Å; R876-E880 PolarHBondContact NH2-OE1 3.34Å; R876-E880 VanDerWaalsContact NH2-OE1 3.08Å; R876-E880 WeakPolarHBondContact O-CG 3.47Å; R876-E880 PolarHBondContact O-N 3.49Å; L877-E880 PolarHBondContact O-N 3.45Å; E880-K884 WeakPolarHBondContact O-CB 3.43Å; E880-K884 PolarHBondContact O-N 3.27Å; E880-K884 VanDerWaalsContact O-N 3.09Å
881	L	85.9	Confident	84.1	Confident	89 Å²	89	81.2 Å²	81.2	47%	0.466	44%	0.436	S	S	.	.	H	α-helix	trans	-64.2	-43.3	173.1	-88.5	159	0	0	0	112.9	L877 H878 L879 K884 T885	L877-L881 HydrophobicContact CG-CD1 4.22Å; L877-L881 WeakPolarHBondContact O-CB 3.37Å; L877-L881 PolarHBondContact O-N 3.05Å; H878-L881 PolarHBondContact O-N 3.42Å; L879-L881 VanDerWaalsContact C-N 3.29Å; L879-L881 PolarHBondContact O-N 3.08Å; L881-K884 PolarHBondContact O-N 3.05Å; L881-T885 WeakPolarHBondContact O-CB 3.25Å; L881-T885 PolarHBondContact O-N 3.29Å; L881-T885 PolarHBondContact O-OG1 2.97Å
882	L	85.2	Confident	84.2	Confident	79 Å²	79	81 Å²	81	41%	0.414	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-42	177.8	-78	170.5	0	0	0	111.6	H878 L879 K884 T885 H886	H878-L882 WeakPolarHBondContact O-CB 3.32Å; H878-L882 WeakPolarHBondContact O-CG 3.48Å; H878-L882 PolarHBondContact O-N 3.39Å; L879-L882 PolarHBondContact O-N 3.23Å; L879-L882 VanDerWaalsContact O-N 3.15Å; L882-K884 VanDerWaalsContact C-N 3.3Å; L882-K884 PolarHBondContact O-N 3.49Å; L882-T885 PolarHBondContact O-N 3.28Å; L882-H886 PolarHBondContact O-N 3.44Å
883	A	85.1	Confident	84.1	Confident	28 Å²	28	84.2 Å²	84.2	23%	0.231	45%	0.451	C	S	.	.	H	α-helix	trans	-60.3	-41.8	173.5	0	0	0	0	0	112.2	L879 T885 H887 I888 V890	L879-A883 PolarHBondContact O-N 3.19Å; A883-T885 VanDerWaalsContact C-N 3.34Å; A883-T885 PolarHBondContact O-N 2.93Å; A883-H887 WeakPolarHBondContact O-CA 3.21Å; A883-H887 PolarHBondContact O-N 3.3Å; A883-H887 VanDerWaalsContact O-N 3.09Å; A883-I888 WeakPolarHBondContact CA-O 3.46Å; A883-I888 WeakPolarHBondContact CB-O 3.34Å; A883-V890 HydrophobicContact CB-CB 4.24Å; A883-V890 HydrophobicContact CB-CG1 3.94Å; A883-V890 HydrophobicContact CB-CG2 3.42Å; A883-V890 VanDerWaalsContact CB-CG2 3.42Å
884	K	82.5	Confident	84.4	Confident	175 Å²	175	82.8 Å²	82.8	76%	0.761	44%	0.437	S	S	*	.	H	α-helix	trans	-68.1	-33	177.9	-161.2	174.9	-176.4	178.7	0	112.9	E880 L881 L882	E880-K884 WeakPolarHBondContact O-CB 3.43Å; E880-K884 PolarHBondContact O-N 3.27Å; E880-K884 VanDerWaalsContact O-N 3.09Å; L881-K884 PolarHBondContact O-N 3.05Å; L882-K884 VanDerWaalsContact C-N 3.3Å; L882-K884 PolarHBondContact O-N 3.49Å
885	T	84.2	Confident	84.2	Confident	91 Å²	91	84.2 Å²	84.2	56%	0.558	45%	0.447	S	S	*	.	H	α-helix	trans	-86.6	-39.1	-175	-51.4	0	0	0	0	113	L881 L882 A883	L881-T885 WeakPolarHBondContact O-CB 3.25Å; L881-T885 PolarHBondContact O-N 3.29Å; L881-T885 PolarHBondContact O-OG1 2.97Å; L882-T885 PolarHBondContact O-N 3.28Å; A883-T885 VanDerWaalsContact C-N 3.34Å; A883-T885 PolarHBondContact O-N 2.93Å
886	H	86	Confident	83.7	Confident	115 Å²	115	89.5 Å²	89.5	53%	0.532	46%	0.459	S	S	.	.	H	α-helix	trans	-113.5	2	-171.6	-64.4	-69.8	0	0	0	114.2	L882 I888	L882-H886 PolarHBondContact O-N 3.44Å; H886-I888 HydrophobicContact CB-CD1 3.61Å; H886-I888 HydrophobicContact CB-CG1 3.7Å; H886-I888 PolarHBondContact O-N 3.45Å; H886-I888 VanDerWaalsContact O-N 3.14Å
887	H	79.2	Confident	83.5	Confident	175 Å²	175	86.3 Å²	86.3	81%	0.81	45%	0.448	S	S	*	.			trans	53.2	30.7	-174.5	-54.7	-58.4	0	0	0	113.2	A883	A883-H887 WeakPolarHBondContact O-CA 3.21Å; A883-H887 PolarHBondContact O-N 3.3Å; A883-H887 VanDerWaalsContact O-N 3.09Å
888	I	82.5	Confident	83.4	Confident	98 Å²	98	84.5 Å²	84.5	50%	0.503	44%	0.439	S	S	.	.			trans	-84	131.5	175	-60	169.3	0	0	0	107.6	A883 H886 V890	A883-I888 WeakPolarHBondContact CA-O 3.46Å; A883-I888 WeakPolarHBondContact CB-O 3.34Å; H886-I888 HydrophobicContact CB-CD1 3.61Å; H886-I888 HydrophobicContact CB-CG1 3.7Å; H886-I888 PolarHBondContact O-N 3.45Å; H886-I888 VanDerWaalsContact O-N 3.14Å; I888-V890 HydrophobicContact CG2-CG1 4.28Å; I888-V890 PolarHBondContact O-N 3.17Å
889	D	83.4	Confident	83	Confident	123 Å²	123	80.9 Å²	80.9	66%	0.658	42%	0.422	S	S	*	.			trans	-70.8	97.8	171.4	-177.6	14.2	0	0	0	110.2	A891	D889-A891 WeakPolarHBondContact OD1-CB 3.4Å; D889-A891 PolarHBondContact OD1-N 3.01Å
890	V	87	Confident	82.6	Confident	13 Å²	13	83.2 Å²	83.2	8%	0.079	43%	0.434	C	S	.	.			trans	-94.4	-0.2	174.7	-55	0	0	0	0	112.5	L879 A883 I888 P892 L893 V894	L879-V890 HydrophobicContact CB-CB 4.38Å; L879-V890 HydrophobicContact CB-CG2 4.31Å; L879-V890 HydrophobicContact CD2-CG1 4.43Å; A883-V890 HydrophobicContact CB-CB 4.24Å; A883-V890 HydrophobicContact CB-CG1 3.94Å; A883-V890 HydrophobicContact CB-CG2 3.42Å; A883-V890 VanDerWaalsContact CB-CG2 3.42Å; I888-V890 HydrophobicContact CG2-CG1 4.28Å; I888-V890 PolarHBondContact O-N 3.17Å; V890-P892 VanDerWaalsContact C-N 3.26Å; V890-L893 WeakPolarHBondContact O-CA 3.3Å; V890-L893 WeakPolarHBondContact O-CB 3.31Å; V890-L893 PolarHBondContact O-N 2.87Å; V890-V894 HydrophobicContact CG2-CG2 3.9Å; V890-V894 PolarHBondContact O-N 3.23Å
891	A	81	Confident	82.3	Confident	59 Å²	59	81.7 Å²	81.7	49%	0.488	43%	0.427	S	S	.	.	H	α-helix	trans	-53.5	-39.1	-176	0	0	0	0	0	112.7	D889 L893 V894 A895	D889-A891 WeakPolarHBondContact OD1-CB 3.4Å; D889-A891 PolarHBondContact OD1-N 3.01Å; A891-L893 VanDerWaalsContact C-N 3.33Å; A891-L893 PolarHBondContact O-N 3.38Å; A891-V894 PolarHBondContact O-N 3.29Å; A891-A895 WeakPolarHBondContact O-CB 3.42Å; A891-A895 PolarHBondContact O-N 3.1Å
892	P	80.1	Confident	82	Confident	69 Å²	69	81.4 Å²	81.4	45%	0.448	42%	0.423	S	S	.	.	H	α-helix	trans	-65.2	-30.9	174.8	-22.1	34	0	0	0	114.4	V890 R896	V890-P892 VanDerWaalsContact C-N 3.26Å; P892-R896 WeakPolarHBondContact O-CG 3.45Å; P892-R896 PolarHBondContact O-N 3.47Å
893	L	82	Confident	81.5	Confident	94 Å²	94	78.5 Å²	78.5	49%	0.492	41%	0.409	S	S	.	.	H	α-helix	trans	-77.7	-41.9	178.8	-75.3	164.3	0	0	0	111.2	L879 V890 A891 R896 L897	L879-L893 HydrophobicContact CD1-CB 3.91Å; L879-L893 HydrophobicContact CD2-CB 4.35Å; L879-L893 HydrophobicContact CD2-CD1 4.05Å; V890-L893 WeakPolarHBondContact O-CA 3.3Å; V890-L893 WeakPolarHBondContact O-CB 3.31Å; V890-L893 PolarHBondContact O-N 2.87Å; A891-L893 VanDerWaalsContact C-N 3.33Å; A891-L893 PolarHBondContact O-N 3.38Å; L893-R896 PolarHBondContact O-N 3.48Å; L893-L897 PolarHBondContact O-N 3.14Å
894	V	84.7	Confident	81.1	Confident	18 Å²	18	78.9 Å²	78.9	11%	0.109	41%	0.409	C	S	.	.	H	α-helix	trans	-61.7	-46.1	174.6	173.1	0	0	0	0	110.1	R876 L879 V890 A891 R896 L897 D898	R876-V894 HydrophobicContact CG-CG1 4.33Å; L879-V894 HydrophobicContact CB-CG2 3.97Å; L879-V894 HydrophobicContact CD1-CG2 4.29Å; V890-V894 HydrophobicContact CG2-CG2 3.9Å; V890-V894 PolarHBondContact O-N 3.23Å; A891-V894 PolarHBondContact O-N 3.29Å; V894-R896 VanDerWaalsContact C-N 3.31Å; V894-R896 PolarHBondContact O-N 3.23Å; V894-L897 WeakPolarHBondContact O-CB 3.41Å; V894-L897 PolarHBondContact O-N 2.96Å; V894-L897 VanDerWaalsContact O-N 3.1Å; V894-D898 PolarHBondContact O-N 3.17Å
895	A	79.2	Confident	80.9	Confident	58 Å²	58	73.3 Å²	73.3	48%	0.479	39%	0.392	S	S	.	.	H	α-helix	trans	-59.5	-38.1	176.7	0	0	0	0	0	113.1	A891 Q899	A891-A895 WeakPolarHBondContact O-CB 3.42Å; A891-A895 PolarHBondContact O-N 3.1Å; A895-Q899 WeakPolarHBondContact O-CB 3.45Å; A895-Q899 PolarHBondContact O-N 3.23Å
896	R	76.8	Confident	80.6	Confident	180 Å²	180	70 Å²	70	68%	0.679	37%	0.37	S	S	*	.	H	α-helix	trans	-68.3	-38.4	174.5	-76.2	-178.5	-157.3	-148.9	4.4	112.8	P892 L893 V894 Q899 M900	P892-R896 WeakPolarHBondContact O-CG 3.45Å; P892-R896 PolarHBondContact O-N 3.47Å; L893-R896 PolarHBondContact O-N 3.48Å; V894-R896 VanDerWaalsContact C-N 3.31Å; V894-R896 PolarHBondContact O-N 3.23Å; R896-Q899 PolarHBondContact O-N 2.99Å; R896-M900 PolarHBondContact O-N 2.97Å
897	L	83.8	Confident	80.1	Confident	21 Å²	21	68 Å²	68	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-65.9	-44.4	176	-92.5	154.6	0	0	0	111.7	L872 V875 L879 L893 V894 Q899 M900 M901	L872-L897 HydrophobicContact CD2-CD2 3.88Å; V875-L897 HydrophobicContact CB-CD1 4.38Å; V875-L897 HydrophobicContact CB-CD2 4.39Å; V875-L897 HydrophobicContact CG1-CD1 3.6Å; V875-L897 HydrophobicContact CG1-CD2 4.19Å; L879-L897 HydrophobicContact CD1-CD1 3.19Å; L879-L897 HydrophobicContact CG-CD1 4.5Å; L893-L897 PolarHBondContact O-N 3.14Å; V894-L897 WeakPolarHBondContact O-CB 3.41Å; V894-L897 PolarHBondContact O-N 2.96Å; V894-L897 VanDerWaalsContact O-N 3.1Å; L897-Q899 VanDerWaalsContact C-N 3.31Å; L897-Q899 PolarHBondContact O-N 3.42Å; L897-M900 HydrophobicContact CD2-CE 4.08Å; L897-M900 PolarHBondContact O-N 2.94Å; L897-M900 VanDerWaalsContact O-N 3.12Å; L897-M901 WeakPolarHBondContact O-CG 3.32Å; L897-M901 PolarHBondContact O-N 3.5Å
898	D	81.9	Confident	80	Confident	59 Å²	59	61 Å²	61	32%	0.316	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-44.4	176.1	-69.1	-22.4	0	0	0	110.1	R876 V894 M900 M901 E902	R876-D898 WeakPolarHBondContact CD-OD1 3.42Å; R876-D898 IonicContact CZ-OD1 3.72Å; R876-D898 IonicContact NE-OD1 3.05Å; R876-D898 PolarHBondContact NE-OD1 3.16Å; R876-D898 IonicContact NE-OD2 3.52Å; V894-D898 PolarHBondContact O-N 3.17Å; D898-M900 VanDerWaalsContact C-N 3.31Å; D898-M900 PolarHBondContact O-N 2.98Å; D898-M901 PolarHBondContact O-N 3.44Å; D898-E902 WeakPolarHBondContact O-CB 3.5Å; D898-E902 PolarHBondContact O-N 2.79Å
899	Q	78.6	Confident	79.7	Confident	49 Å²	49	60.3 Å²	60.3	23%	0.229	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-36.6	175	-174.2	170	39.7	0	0	113.2	A895 R896 L897 S903	A895-Q899 WeakPolarHBondContact O-CB 3.45Å; A895-Q899 PolarHBondContact O-N 3.23Å; R896-Q899 PolarHBondContact O-N 2.99Å; L897-Q899 VanDerWaalsContact C-N 3.31Å; L897-Q899 PolarHBondContact O-N 3.42Å; Q899-S903 WeakPolarHBondContact O-CB 3.47Å; Q899-S903 PolarHBondContact O-N 3.34Å; Q899-S903 PolarHBondContact O-OG 2.95Å
900	M	79.8	Confident	79.2	Confident	74 Å²	74	55.1 Å²	55.1	37%	0.365	30%	0.298	S	S	.	.	H	α-helix	trans	-71.9	-43.4	176.9	-170.1	175.3	71.5	0	0	111.8	L872 R896 L897 D898 E902 S903 V904 I1032	L872-M900 HydrophobicContact CD1-CE 3.79Å; L872-M900 HydrophobicContact CD2-CE 3.14Å; L872-M900 HydrophobicContact CG-CE 4.09Å; R896-M900 PolarHBondContact O-N 2.97Å; L897-M900 HydrophobicContact CD2-CE 4.08Å; L897-M900 PolarHBondContact O-N 2.94Å; L897-M900 VanDerWaalsContact O-N 3.12Å; D898-M900 VanDerWaalsContact C-N 3.31Å; D898-M900 PolarHBondContact O-N 2.98Å; M900-E902 VanDerWaalsContact C-N 3.27Å; M900-E902 PolarHBondContact O-N 3.41Å; M900-S903 PolarHBondContact O-N 3.28Å; M900-V904 WeakPolarHBondContact O-CG2 3.34Å; M900-V904 PolarHBondContact O-N 2.85Å; M900-I1032 HydrophobicContact CB-CD1 4.17Å; M900-I1032 HydrophobicContact CG-CD1 4.28Å
901	M	80.2	Confident	78.5	Confident	48 Å²	48	56.7 Å²	56.7	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-41.9	175.4	-74.7	177.3	58.6	0	0	111.1	R869 L872 L897 D898 V904 S905	R869-M901 HydrophobicContact CG-CE 4.24Å; L872-M901 HydrophobicContact CB-CG 3.7Å; L872-M901 HydrophobicContact CB-SD 3.86Å; L872-M901 HydrophobicContact CD1-CG 3.72Å; L872-M901 HydrophobicContact CG-CG 4.33Å; L897-M901 WeakPolarHBondContact O-CG 3.32Å; L897-M901 PolarHBondContact O-N 3.5Å; D898-M901 PolarHBondContact O-N 3.44Å; M901-V904 PolarHBondContact O-N 3.4Å; M901-S905 WeakPolarHBondContact O-CB 3.39Å; M901-S905 PolarHBondContact O-N 2.79Å
902	E	79.5	Confident	78.1	Confident	84 Å²	84	59.5 Å²	59.5	39%	0.393	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-44.2	176.7	-171.7	158.7	-157	0	0	112.1	D898 M900 V904 S905 Q906 R973	D898-E902 WeakPolarHBondContact O-CB 3.5Å; D898-E902 PolarHBondContact O-N 2.79Å; M900-E902 VanDerWaalsContact C-N 3.27Å; M900-E902 PolarHBondContact O-N 3.41Å; E902-V904 PolarHBondContact O-N 3.43Å; E902-S905 WeakPolarHBondContact O-CB 3.21Å; E902-S905 PolarHBondContact O-N 3.07Å; E902-Q906 WeakPolarHBondContact O-CG 3.31Å; E902-Q906 PolarHBondContact O-N 3.34Å; E902-R973 IonicContact OE1-CZ 2.94Å; E902-R973 IonicContact OE1-NH1 2.72Å; E902-R973 PolarHBondContact OE1-NH1 2.94Å; E902-R973 VanDerWaalsContact OE1-NH1 3.09Å; E902-R973 IonicContact OE1-NH2 3.95Å; E902-R973 PolarHBondContact OE1-NH2 3.3Å; E902-R973 IonicContact OE2-NH2 2.67Å
903	S	75	Confident	77.5	Confident	17 Å²	17	56.7 Å²	56.7	12%	0.119	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-41	177	-60.1	0	0	0	0	112.6	Q899 M900 Q906 L907	Q899-S903 WeakPolarHBondContact O-CB 3.47Å; Q899-S903 PolarHBondContact O-N 3.34Å; Q899-S903 PolarHBondContact O-OG 2.95Å; M900-S903 PolarHBondContact O-N 3.28Å; S903-Q906 PolarHBondContact O-N 3.41Å; S903-L907 WeakPolarHBondContact O-CG 3.43Å; S903-L907 PolarHBondContact O-N 2.71Å
904	V	76.2	Confident	76.8	Confident	36 Å²	36	52.8 Å²	52.8	22%	0.218	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-45.5	175	168.8	0	0	0	0	110.2	L868 M900 M901 E902 Q906 L907 L908	L868-V904 HydrophobicContact CB-CG1 4.25Å; L868-V904 HydrophobicContact CD1-CG1 3.92Å; M900-V904 WeakPolarHBondContact O-CG2 3.34Å; M900-V904 PolarHBondContact O-N 2.85Å; M901-V904 PolarHBondContact O-N 3.4Å; E902-V904 PolarHBondContact O-N 3.43Å; V904-Q906 VanDerWaalsContact C-N 3.33Å; V904-Q906 PolarHBondContact O-N 2.9Å; V904-L907 PolarHBondContact O-N 2.89Å; V904-L908 HydrophobicContact CG1-CD1 3.57Å; V904-L908 HydrophobicContact CG1-CG 4.5Å; V904-L908 WeakPolarHBondContact O-CB 3.31Å; V904-L908 VanDerWaalsContact O-CD1 3.31Å; V904-L908 WeakPolarHBondContact O-CD1 3.38Å; V904-L908 VanDerWaalsContact O-CG 3.29Å; V904-L908 WeakPolarHBondContact O-CG 3.4Å; V904-L908 PolarHBondContact O-N 3.02Å
905	S	78	Confident	75.8	Confident	59 Å²	59	53.8 Å²	53.8	41%	0.413	28%	0.279	S	S	.	.	H	α-helix	trans	-59	-42.8	176.2	-175	0	0	0	0	112.2	M901 E902 L908 Q909	M901-S905 WeakPolarHBondContact O-CB 3.39Å; M901-S905 PolarHBondContact O-N 2.79Å; E902-S905 WeakPolarHBondContact O-CB 3.21Å; E902-S905 PolarHBondContact O-N 3.07Å; S905-L908 PolarHBondContact O-N 2.97Å; S905-Q909 WeakPolarHBondContact O-CG 3.32Å; S905-Q909 PolarHBondContact O-N 3.43Å
906	Q	77.9	Confident	75.1	Confident	20 Å²	20	53.4 Å²	53.4	9%	0.093	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-42.9	177.2	-69.4	-179.9	0.2	0	0	112.4	E902 S903 V904 L908 Q909 L910 M970 I1038	E902-Q906 WeakPolarHBondContact O-CG 3.31Å; E902-Q906 PolarHBondContact O-N 3.34Å; S903-Q906 PolarHBondContact O-N 3.41Å; V904-Q906 VanDerWaalsContact C-N 3.33Å; V904-Q906 PolarHBondContact O-N 2.9Å; Q906-L908 VanDerWaalsContact C-N 3.31Å; Q906-L908 PolarHBondContact O-N 3.45Å; Q906-Q909 PolarHBondContact O-N 3.06Å; Q906-L910 WeakPolarHBondContact O-CB 3.43Å; Q906-L910 PolarHBondContact O-N 2.9Å; Q906-M970 HydrophobicContact CB-SD 3.65Å; Q906-M970 HydrophobicContact CG-CG 4.34Å; Q906-M970 HydrophobicContact CG-SD 3.59Å; Q906-M970 VanDerWaalsContact CG-SD 3.59Å; Q906-I1038 HydrophobicContact CB-CD1 4.03Å; Q906-I1038 VanDerWaalsContact OE1-CD1 3.28Å
907	L	75.2	Confident	74.5	Confident	75 Å²	75	45.4 Å²	45.4	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-39	175.8	-74.9	172.2	0	0	0	112.2	S903 V904 L910 A911 L1034	S903-L907 WeakPolarHBondContact O-CG 3.43Å; S903-L907 PolarHBondContact O-N 2.71Å; V904-L907 PolarHBondContact O-N 2.89Å; L907-L910 WeakPolarHBondContact O-CB 3.34Å; L907-L910 PolarHBondContact O-N 3.25Å; L907-A911 PolarHBondContact O-N 3.43Å; L907-L1034 HydrophobicContact CD1-CD1 4.12Å
908	L	77.1	Confident	73.4	Confident	28 Å²	28	49.1 Å²	49.1	15%	0.147	27%	0.271	C	S	.	.	H	α-helix	trans	-73.2	-37.3	178.4	-69.7	158.5	0	0	0	112.1	A865 V904 S905 Q906 L910 A911 R912	A865-L908 VanDerWaalsContact CA-CD1 3.44Å; A865-L908 HydrophobicContact CB-CD1 3.44Å; A865-L908 VanDerWaalsContact CB-CD1 3.44Å; A865-L908 HydrophobicContact CB-CD2 4.21Å; A865-L908 HydrophobicContact CB-CG 4.27Å; V904-L908 HydrophobicContact CG1-CD1 3.57Å; V904-L908 HydrophobicContact CG1-CG 4.5Å; V904-L908 WeakPolarHBondContact O-CB 3.31Å; V904-L908 VanDerWaalsContact O-CD1 3.31Å; V904-L908 WeakPolarHBondContact O-CD1 3.38Å; V904-L908 VanDerWaalsContact O-CG 3.29Å; V904-L908 WeakPolarHBondContact O-CG 3.4Å; V904-L908 PolarHBondContact O-N 3.02Å; S905-L908 PolarHBondContact O-N 2.97Å; Q906-L908 VanDerWaalsContact C-N 3.31Å; Q906-L908 PolarHBondContact O-N 3.45Å; L908-L910 VanDerWaalsContact C-N 3.32Å; L908-A911 PolarHBondContact O-N 3.09Å; L908-R912 WeakPolarHBondContact O-CG 3.33Å; L908-R912 PolarHBondContact O-N 3.42Å
909	Q	75.8	Confident	72.1	Confident	82 Å²	82	47.2 Å²	47.2	38%	0.383	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-41.8	169.6	-77	-178.6	18.3	0	0	111.3	S905 Q906 R912 A913	S905-Q909 WeakPolarHBondContact O-CG 3.32Å; S905-Q909 PolarHBondContact O-N 3.43Å; Q906-Q909 PolarHBondContact O-N 3.06Å; Q909-R912 PolarHBondContact O-N 3.09Å; Q909-A913 VanDerWaalsContact O-CB 3.23Å; Q909-A913 WeakPolarHBondContact O-CB 3.4Å; Q909-A913 PolarHBondContact O-N 3.04Å
910	L	74.5	Confident	71.3	Confident	14 Å²	14	47.1 Å²	47.1	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-44.9	173.6	-97	175.5	0	0	0	113	Q906 L907 L908 R912 G914 L967 M970 I1038 R1041 I1042 L1045	Q906-L910 WeakPolarHBondContact O-CB 3.43Å; Q906-L910 PolarHBondContact O-N 2.9Å; L907-L910 WeakPolarHBondContact O-CB 3.34Å; L907-L910 PolarHBondContact O-N 3.25Å; L908-L910 VanDerWaalsContact C-N 3.32Å; L910-R912 VanDerWaalsContact C-N 3.32Å; L910-R912 PolarHBondContact O-N 2.73Å; L910-G914 PolarHBondContact O-N 2.88Å; L910-L967 HydrophobicContact CD2-CD2 4.18Å; L910-M970 HydrophobicContact CD1-CE 4.43Å; L910-M970 HydrophobicContact CD2-CE 4.32Å; L910-M970 HydrophobicContact CG-CE 3.77Å; L910-I1038 HydrophobicContact CD1-CB 4.14Å; L910-I1038 HydrophobicContact CD1-CG1 3.87Å; L910-I1038 HydrophobicContact CD1-CG2 3.89Å; L910-R1041 HydrophobicContact CD1-CB 4.38Å; L910-R1041 HydrophobicContact CD1-CG 4.39Å; L910-R1041 HydrophobicContact CD2-CB 4.43Å; L910-R1041 HydrophobicContact CD2-CG 4.06Å; L910-I1042 HydrophobicContact CD2-CG1 3.59Å; L910-I1042 HydrophobicContact CG-CG1 4.39Å; L910-L1045 HydrophobicContact CD2-CD1 3.91Å
911	A	72.3	Confident	70.5	Confident	46 Å²	46	48.5 Å²	48.5	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-43.3	177.5	0	0	0	0	0	111.2	L907 L908	L907-A911 PolarHBondContact O-N 3.43Å; L908-A911 PolarHBondContact O-N 3.09Å
912	R	71.2	Confident	70.2	Confident	118 Å²	118	48.9 Å²	48.9	45%	0.445	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-49.9	176.7	-72.6	178.9	-178.6	-170.2	4.1	112.5	A862 L908 Q909 L910 G914 Q915 S916	A862-R912 VanDerWaalsContact CA-NH2 3.28Å; A862-R912 VanDerWaalsContact CB-NH2 3.29Å; L908-R912 WeakPolarHBondContact O-CG 3.33Å; L908-R912 PolarHBondContact O-N 3.42Å; Q909-R912 PolarHBondContact O-N 3.09Å; L910-R912 VanDerWaalsContact C-N 3.32Å; L910-R912 PolarHBondContact O-N 2.73Å; R912-G914 VanDerWaalsContact C-N 3.34Å; R912-G914 PolarHBondContact O-N 3.21Å; R912-Q915 WeakPolarHBondContact O-CB 3.32Å; R912-Q915 PolarHBondContact O-N 3.29Å; R912-S916 PolarHBondContact O-N 2.96Å
913	A	69	Low	70.3	Confident	11 Å²	11	50.2 Å²	50.2	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-38.7	-177.3	0	0	0	0	0	111	Q909 Q915 S916 F917 L967	Q909-A913 VanDerWaalsContact O-CB 3.23Å; Q909-A913 WeakPolarHBondContact O-CB 3.4Å; Q909-A913 PolarHBondContact O-N 3.04Å; A913-Q915 PolarHBondContact O-N 2.89Å; A913-Q915 VanDerWaalsContact O-N 3.13Å; A913-S916 WeakPolarHBondContact O-CA 3.45Å; A913-S916 WeakPolarHBondContact O-CB 3.27Å; A913-S916 PolarHBondContact O-N 3.38Å; A913-F917 VanDerWaalsContact O-CD2 3.29Å; A913-F917 WeakPolarHBondContact O-CD2 3.44Å; A913-F917 PolarHBondContact O-N 3.23Å; A913-F917 VanDerWaalsContact O-N 3.07Å; A913-L967 HydrophobicContact CB-CD1 3.42Å; A913-L967 VanDerWaalsContact CB-CD1 3.42Å; A913-L967 HydrophobicContact CB-CD2 3.74Å; A913-L967 HydrophobicContact CB-CG 3.64Å
914	G	66.6	Low	70.7	Confident	12 Å²	12	54.7 Å²	54.7	12%	0.124	31%	0.308	C	S	.	.	H	α-helix	trans	-51.7	-36	172.4	0	0	0	0	0	113.5	L910 R912 F917 S918	L910-G914 PolarHBondContact O-N 2.88Å; R912-G914 VanDerWaalsContact C-N 3.34Å; R912-G914 PolarHBondContact O-N 3.21Å; G914-F917 PolarHBondContact O-N 3.49Å; G914-S918 PolarHBondContact O-N 3.3Å; G914-S918 VanDerWaalsContact O-N 3.11Å; G914-S918 PolarHBondContact O-OG 2.94Å
915	Q	63.8	Low	71.3	Confident	38 Å²	38	53 Å²	53	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-69.4	-36.8	173.7	-69.5	176.6	-17.6	0	0	113	E857 R912 A913 S918 S919	E857-Q915 PolarHBondContact OE1-NE2 3.19Å; E857-Q915 VanDerWaalsContact OE1-NE2 3.12Å; R912-Q915 WeakPolarHBondContact O-CB 3.32Å; R912-Q915 PolarHBondContact O-N 3.29Å; A913-Q915 PolarHBondContact O-N 2.89Å; A913-Q915 VanDerWaalsContact O-N 3.13Å; Q915-S918 WeakPolarHBondContact O-CB 3.25Å; Q915-S918 PolarHBondContact O-N 3.4Å; Q915-S919 PolarHBondContact O-N 2.91Å; Q915-S919 PolarHBondContact O-OG 3.11Å
916	S	64.7	Low	71.9	Confident	51 Å²	51	54.2 Å²	54.2	36%	0.357	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-41.4	173.4	-69.7	0	0	0	0	112.1	R912 A913 S919 N921	R912-S916 PolarHBondContact O-N 2.96Å; A913-S916 WeakPolarHBondContact O-CA 3.45Å; A913-S916 WeakPolarHBondContact O-CB 3.27Å; A913-S916 PolarHBondContact O-N 3.38Å; S916-S919 WeakPolarHBondContact CA-OG 3.48Å; S916-S919 CarbonylContact O-C 3.56Å; S916-S919 PolarHBondContact O-N 3.45Å; S916-S919 VanDerWaalsContact O-N 3.14Å; S916-S919 PolarHBondContact O-OG 3.17Å; S916-N921 PolarHBondContact O-N 3.35Å
917	F	64	Low	72.5	Confident	11 Å²	11	53.3 Å²	53.3	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-40.7	175	-80.7	-92	0	0	0	112.7	A913 G914 S919 G920 Y922 D964 L967 L1045 H1046	A913-F917 VanDerWaalsContact O-CD2 3.29Å; A913-F917 WeakPolarHBondContact O-CD2 3.44Å; A913-F917 PolarHBondContact O-N 3.23Å; A913-F917 VanDerWaalsContact O-N 3.07Å; G914-F917 PolarHBondContact O-N 3.49Å; F917-S919 PolarHBondContact O-N 3.48Å; F917-G920 PolarHBondContact O-N 3.1Å; F917-G920 VanDerWaalsContact O-N 3.08Å; F917-Y922 AromaticContact CD1-CD1 3.74Å; F917-Y922 HydrophobicContact CD1-CD1 3.74Å; F917-Y922 AromaticContact CD1-CE1 3.18Å; F917-Y922 HydrophobicContact CD1-CE1 3.18Å; F917-Y922 AromaticContact CD1-CZ 3.72Å; F917-Y922 AromaticContact CE1-CD1 3.5Å; F917-Y922 HydrophobicContact CE1-CD1 3.5Å; F917-Y922 VanDerWaalsContact CE1-CD1 3.5Å; F917-Y922 AromaticContact CE1-CE1 3.33Å; F917-Y922 HydrophobicContact CE1-CE1 3.33Å; F917-Y922 HydrophobicContact CG-CE1 4.42Å; F917-D964 HydrophobicContact CE2-CB 3.64Å; F917-D964 HydrophobicContact CZ-CB 3.78Å; F917-L967 HydrophobicContact CD2-CD1 4.37Å; F917-L967 HydrophobicContact CE2-CD1 3.76Å; F917-L1045 HydrophobicContact CB-CD2 4.3Å; F917-L1045 HydrophobicContact CD1-CB 4.36Å; F917-L1045 WeakPolarHBondContact CD1-O 3.44Å; F917-L1045 HydrophobicContact CD2-CB 4.32Å; F917-L1045 HydrophobicContact CG-CB 4.17Å; F917-H1046 AromaticContact CE1-CD2 3.86Å; F917-H1046 AromaticContact CE1-CE1 3.89Å; F917-H1046 AromaticContact CE1-CG 3.95Å; F917-H1046 AromaticContact CE1-ND1 3.97Å; F917-H1046 AromaticContact CE1-NE2 3.84Å; F917-H1046 AromaticContact CE2-CE1 3.98Å; F917-H1046 AromaticContact CZ-CD2 3.83Å; F917-H1046 AromaticContact CZ-CE1 3.28Å; F917-H1046 WeakPolarHBondContact CZ-CE1 3.26Å; F917-H1046 AromaticContact CZ-ND1 3.79Å; F917-H1046 AromaticContact CZ-NE2 3.31Å; F917-H1046 VanDerWaalsContact CZ-NE2 3.31Å; F917-H1046 WeakPolarHBondContact CZ-NE2 3.44Å
918	S	60	Low	73.2	Confident	100 Å²	100	51.1 Å²	51.1	70%	0.699	28%	0.28	S	S	*	.	H	α-helix	trans	-59.8	-24.9	173.4	-53.3	0	0	0	0	113.3	G914 Q915	G914-S918 PolarHBondContact O-N 3.3Å; G914-S918 VanDerWaalsContact O-N 3.11Å; G914-S918 PolarHBondContact O-OG 2.94Å; Q915-S918 WeakPolarHBondContact O-CB 3.25Å; Q915-S918 PolarHBondContact O-N 3.4Å
919	S	55.3	Low	73.8	Confident	18 Å²	18	54.7 Å²	54.7	13%	0.126	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	18.1	176.7	65.3	0	0	0	0	114.2	D822 Q915 S916 F917 N921	D822-S919 VanDerWaalsContact OD1-CA 3.27Å; D822-S919 WeakPolarHBondContact OD1-CA 3.41Å; Q915-S919 PolarHBondContact O-N 2.91Å; Q915-S919 PolarHBondContact O-OG 3.11Å; S916-S919 WeakPolarHBondContact CA-OG 3.48Å; S916-S919 CarbonylContact O-C 3.56Å; S916-S919 PolarHBondContact O-N 3.45Å; S916-S919 VanDerWaalsContact O-N 3.14Å; S916-S919 PolarHBondContact O-OG 3.17Å; F917-S919 PolarHBondContact O-N 3.48Å; S919-N921 PolarHBondContact O-N 3.33Å; S919-N921 PolarHBondContact O-ND2 2.9Å; S919-N921 PolarHBondContact OG-ND2 3.39Å
920	G	60.8	Low	74.5	Confident	47 Å²	47	53.4 Å²	53.4	49%	0.485	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	7.3	176.1	0	0	0	0	0	116	F917 Y922	F917-G920 PolarHBondContact O-N 3.1Å; F917-G920 VanDerWaalsContact O-N 3.08Å; G920-Y922 WeakPolarHBondContact O-CD2 3.24Å; G920-Y922 PolarHBondContact O-N 3.19Å
921	N	62.6	Low	75.3	Confident	103 Å²	103	52.8 Å²	52.8	55%	0.551	29%	0.288	S	S	*	.			trans	-83.8	80.6	-178.2	-72.9	-53.9	0	0	0	110.4	S916 S919	S916-N921 PolarHBondContact O-N 3.35Å; S919-N921 PolarHBondContact O-N 3.33Å; S919-N921 PolarHBondContact O-ND2 2.9Å; S919-N921 PolarHBondContact OG-ND2 3.39Å
922	Y	74.9	Confident	76.2	Confident	57 Å²	57	50.6 Å²	50.6	22%	0.224	27%	0.27	C	S	.	.			trans	-91.7	130.8	170.2	-61.5	-95.2	0	0	0	109.8	F917 G920 Q962 H1047	F917-Y922 AromaticContact CD1-CD1 3.74Å; F917-Y922 HydrophobicContact CD1-CD1 3.74Å; F917-Y922 AromaticContact CD1-CE1 3.18Å; F917-Y922 HydrophobicContact CD1-CE1 3.18Å; F917-Y922 AromaticContact CD1-CZ 3.72Å; F917-Y922 AromaticContact CE1-CD1 3.5Å; F917-Y922 HydrophobicContact CE1-CD1 3.5Å; F917-Y922 VanDerWaalsContact CE1-CD1 3.5Å; F917-Y922 AromaticContact CE1-CE1 3.33Å; F917-Y922 HydrophobicContact CE1-CE1 3.33Å; F917-Y922 HydrophobicContact CG-CE1 4.42Å; G920-Y922 WeakPolarHBondContact O-CD2 3.24Å; G920-Y922 PolarHBondContact O-N 3.19Å; Y922-Q962 HydrophobicContact CD1-CB 4.02Å; Y922-Q962 HydrophobicContact CG-CB 4.08Å; Y922-H1047 PolarHBondContact OH-CD2 2.81Å; Y922-H1047 PolarHBondContact OH-NE2 3.32Å; Y922-H1047 VanDerWaalsContact OH-NE2 3.1Å
923	Q	81.1	Confident	77.1	Confident	111 Å²	111	49.3 Å²	49.3	52%	0.519	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	150.4	167.2	-60	173.5	-9.9	0	0	109.2	V925 Q962 G963	Q923-V925 HydrophobicContact CB-CG2 3.92Å; Q923-V925 PolarHBondContact O-N 3.1Å; Q923-Q962 WeakPolarHBondContact O-CA 3.24Å; Q923-G963 WeakPolarHBondContact CA-O 3.43Å; Q923-G963 VanDerWaalsContact CB-O 3.3Å; Q923-G963 WeakPolarHBondContact CB-O 3.37Å; Q923-G963 PolarHBondContact N-O 3.49Å; Q923-G963 PolarHBondContact O-N 2.91Å
924	H	84.6	Confident	78.2	Confident	111 Å²	111	52.1 Å²	52.1	51%	0.514	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	104.3	164	-60.1	-76.1	0	0	0	107.6	T960 D1070	H924-T960 HydrophobicContact CB-CG2 4.04Å; H924-D1070 IonicContact CE1-OD2 3.42Å; H924-D1070 PolarHBondContact CE1-OD2 3.1Å; H924-D1070 IonicContact CG-OD2 2.74Å; H924-D1070 IonicContact ND1-OD2 3.47Å; H924-D1070 PolarHBondContact ND1-OD2 2.93Å
925	V	88.5	Confident	79.4	Confident	1 Å²	1	52 Å²	52	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.1	-176.1	-176.6	0	0	0	0	109.2	Q923 D930 V931 T960 V961 A965 L968	Q923-V925 HydrophobicContact CB-CG2 3.92Å; Q923-V925 PolarHBondContact O-N 3.1Å; V925-D930 HydrophobicContact CG1-CB 3.83Å; V925-V931 HydrophobicContact CG1-CG2 3.66Å; V925-T960 WeakPolarHBondContact O-CA 3.48Å; V925-V961 HydrophobicContact CB-CG2 4.22Å; V925-V961 PolarHBondContact N-O 3.07Å; V925-V961 PolarHBondContact O-N 3.49Å; V925-A965 HydrophobicContact CG1-CB 3.8Å; V925-A965 HydrophobicContact CG2-CB 4.15Å; V925-L968 HydrophobicContact CB-CD1 4.33Å; V925-L968 HydrophobicContact CG1-CD1 4.01Å
926	K	90.1	Very high	80.7	Confident	85 Å²	85	53.4 Å²	53.4	37%	0.37	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.3	170.2	-75.1	-177.1	-174.3	-177.1	0	109.9	L928 E929 D930 D958	K926-L928 VanDerWaalsContact C-N 3.25Å; K926-L928 PolarHBondContact O-N 3.02Å; K926-E929 HydrophobicContact CB-CB 4.05Å; K926-E929 HydrophobicContact CD-CB 4.08Å; K926-E929 WeakPolarHBondContact CD-OE2 3.12Å; K926-E929 IonicContact NZ-OE2 2.74Å; K926-E929 PolarHBondContact NZ-OE2 3.21Å; K926-D930 WeakPolarHBondContact CB-OD2 3.32Å; K926-D930 PolarHBondContact N-OD2 3.19Å; K926-D930 VanDerWaalsContact O-CB 3.3Å; K926-D930 WeakPolarHBondContact O-CB 3.29Å; K926-D930 PolarHBondContact O-N 2.98Å; K926-D958 WeakPolarHBondContact CB-OD1 3.43Å; K926-D958 WeakPolarHBondContact CB-OD2 3.44Å; K926-D958 WeakPolarHBondContact CD-OD2 3.42Å
927	L	90.6	Very high	81.9	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.305	C	S	.	.	I	π-helix	trans	-63.6	-29	-173.7	-70.3	179.7	0	0	0	113.5	V931 I932 D958 I959 V961 L968 L993 A999 L1067	L927-V931 HydrophobicContact CD2-CG2 4.48Å; L927-V931 WeakPolarHBondContact O-CB 3.43Å; L927-I932 WeakPolarHBondContact O-CG1 3.29Å; L927-I932 PolarHBondContact O-N 2.95Å; L927-D958 PolarHBondContact N-OD1 2.89Å; L927-I959 WeakPolarHBondContact CG-O 3.45Å; L927-I959 PolarHBondContact N-O 2.98Å; L927-V961 HydrophobicContact CD1-CG1 3.97Å; L927-V961 HydrophobicContact CD2-CG2 3.73Å; L927-V961 HydrophobicContact CG-CG1 4.18Å; L927-V961 HydrophobicContact CG-CG2 4.06Å; L927-L968 HydrophobicContact CD2-CD1 3.98Å; L927-L993 HydrophobicContact CB-CD1 4.19Å; L927-L993 HydrophobicContact CB-CD2 3.86Å; L927-L993 HydrophobicContact CD1-CD2 3.8Å; L927-L993 HydrophobicContact CG-CD2 4.49Å; L927-A999 HydrophobicContact CD1-CB 3.77Å; L927-L1067 HydrophobicContact CD2-CD1 4.24Å
928	L	89.8	Confident	83.1	Confident	30 Å²	30	61.3 Å²	61.3	16%	0.157	33%	0.325	C	S	.	.	I	π-helix	trans	-83.6	-56.8	176.8	-174.8	64.3	0	0	0	111.1	K926 I932 L933 L952 D958 L993	K926-L928 VanDerWaalsContact C-N 3.25Å; K926-L928 PolarHBondContact O-N 3.02Å; L928-I932 HydrophobicContact CD1-CB 4.27Å; L928-I932 HydrophobicContact CD1-CD1 4.43Å; L928-I932 HydrophobicContact CD1-CG2 4.32Å; L928-I932 PolarHBondContact O-N 3.21Å; L928-L933 HydrophobicContact CD1-CD2 4.46Å; L928-L933 HydrophobicContact CD1-CG 4.12Å; L928-L933 HydrophobicContact CG-CD1 4.14Å; L928-L933 HydrophobicContact CG-CG 4.19Å; L928-L933 WeakPolarHBondContact O-CB 3.4Å; L928-L933 WeakPolarHBondContact O-CG 3.43Å; L928-L933 PolarHBondContact O-N 3.33Å; L928-L952 HydrophobicContact CD1-CD1 4.5Å; L928-L952 HydrophobicContact CD1-CD2 3.89Å; L928-D958 HydrophobicContact CB-CB 3.93Å; L928-D958 VanDerWaalsContact CB-CG 3.45Å; L928-D958 WeakPolarHBondContact CB-OD1 3.47Å; L928-D958 HydrophobicContact CD2-CB 4.4Å; L928-D958 PolarHBondContact N-OD1 3.37Å; L928-L993 HydrophobicContact CB-CD1 4.08Å; L928-L993 HydrophobicContact CD1-CD1 4.48Å
929	E	89	Confident	84.8	Confident	102 Å²	102	56.6 Å²	56.6	48%	0.477	29%	0.292	S	S	.	.	I	π-helix	trans	-69.3	-40.3	-173.6	-169.7	173.7	-168.8	0	0	113.7	K926 P934 D958	K926-E929 HydrophobicContact CB-CB 4.05Å; K926-E929 HydrophobicContact CD-CB 4.08Å; K926-E929 WeakPolarHBondContact CD-OE2 3.12Å; K926-E929 IonicContact NZ-OE2 2.74Å; K926-E929 PolarHBondContact NZ-OE2 3.21Å; E929-P934 WeakPolarHBondContact O-CD 3.42Å; E929-P934 WeakPolarHBondContact O-CG 2.94Å; E929-D958 WeakPolarHBondContact CB-OD2 3.4Å; E929-D958 PolarHBondContact N-OD2 3.04Å
930	D	90.3	Very high	86.5	Confident	56 Å²	56	56.9 Å²	56.9	30%	0.299	29%	0.294	S	S	.	.	I	π-helix	trans	-96.2	-18.5	-173.2	-59.2	-43.3	0	0	0	113.5	V925 K926 A965	V925-D930 HydrophobicContact CG1-CB 3.83Å; K926-D930 WeakPolarHBondContact CB-OD2 3.32Å; K926-D930 PolarHBondContact N-OD2 3.19Å; K926-D930 VanDerWaalsContact O-CB 3.3Å; K926-D930 WeakPolarHBondContact O-CB 3.29Å; K926-D930 PolarHBondContact O-N 2.98Å; D930-A965 HydrophobicContact CB-CB 4.15Å
931	V	92.1	Very high	87.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.	I	π-helix	trans	-119.7	-63.7	-171.8	-178.3	0	0	0	0	112.6	V925 L927 S935 L968 R969 L972	V925-V931 HydrophobicContact CG1-CG2 3.66Å; L927-V931 HydrophobicContact CD2-CG2 4.48Å; L927-V931 WeakPolarHBondContact O-CB 3.43Å; V931-S935 PolarHBondContact O-N 3.15Å; V931-S935 PolarHBondContact O-OG 3.31Å; V931-L968 HydrophobicContact CG1-CB 4Å; V931-L968 HydrophobicContact CG2-CB 3.69Å; V931-L968 HydrophobicContact CG2-CD1 4.33Å; V931-R969 HydrophobicContact CB-CG 4.24Å; V931-R969 HydrophobicContact CG1-CG 3.91Å; V931-L972 HydrophobicContact CG1-CB 4.43Å; V931-L972 HydrophobicContact CG1-CD2 4.22Å
932	I	91.5	Very high	89.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	I	π-helix	trans	-71	-53.3	-172.9	-66	167.1	0	0	0	111.5	L927 L928 S935 Y936 L952 L972 I991 L993 M1001	L927-I932 WeakPolarHBondContact O-CG1 3.29Å; L927-I932 PolarHBondContact O-N 2.95Å; L928-I932 HydrophobicContact CD1-CB 4.27Å; L928-I932 HydrophobicContact CD1-CD1 4.43Å; L928-I932 HydrophobicContact CD1-CG2 4.32Å; L928-I932 PolarHBondContact O-N 3.21Å; I932-S935 CarbonylContact O-C 3.52Å; I932-S935 PolarHBondContact O-N 3.26Å; I932-Y936 WeakPolarHBondContact O-CB 3.27Å; I932-Y936 PolarHBondContact O-N 2.99Å; I932-L952 HydrophobicContact CG2-CD1 4.06Å; I932-L952 HydrophobicContact CG2-CD2 4.1Å; I932-L972 HydrophobicContact CB-CD2 4.32Å; I932-L972 HydrophobicContact CG1-CD2 3.83Å; I932-I991 HydrophobicContact CD1-CG2 3.71Å; I932-I991 HydrophobicContact CG1-CG2 4.16Å; I932-I991 HydrophobicContact CG2-CD1 4.29Å; I932-L993 HydrophobicContact CD1-CD1 3.45Å; I932-L993 VanDerWaalsContact CD1-CD1 3.45Å; I932-L993 HydrophobicContact CD1-CD2 4.02Å; I932-L993 HydrophobicContact CD1-CG 3.64Å; I932-M1001 HydrophobicContact CD1-SD 4.46Å; I932-M1001 HydrophobicContact CG1-SD 4.37Å
933	L	90.5	Very high	90	Very high	92 Å²	92	52.7 Å²	52.7	48%	0.482	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-44.3	-175.9	-68.7	176.3	0	0	0	112.8	L928 S935 Y936 L952	L928-L933 HydrophobicContact CD1-CD2 4.46Å; L928-L933 HydrophobicContact CD1-CG 4.12Å; L928-L933 HydrophobicContact CG-CD1 4.14Å; L928-L933 HydrophobicContact CG-CG 4.19Å; L928-L933 WeakPolarHBondContact O-CB 3.4Å; L928-L933 WeakPolarHBondContact O-CG 3.43Å; L928-L933 PolarHBondContact O-N 3.33Å; L933-S935 PolarHBondContact O-N 3.03Å; L933-Y936 WeakPolarHBondContact O-CB 3.42Å; L933-Y936 PolarHBondContact O-N 3.38Å; L933-Y936 VanDerWaalsContact O-N 3.15Å; L933-L952 HydrophobicContact CD2-CD2 4.47Å
934	P	91.2	Very high	90.4	Very high	70 Å²	70	52.6 Å²	52.6	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-65.6	-24.5	178	-24.9	37.7	0	0	0	114.1	E929	E929-P934 WeakPolarHBondContact O-CD 3.42Å; E929-P934 WeakPolarHBondContact O-CG 2.94Å
935	S	91.5	Very high	90.6	Very high	8 Å²	8	54.4 Å²	54.4	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-94.5	-9	176.3	-69.1	0	0	0	0	113.1	V931 I932 L933 D937 E938 L939	V931-S935 PolarHBondContact O-N 3.15Å; V931-S935 PolarHBondContact O-OG 3.31Å; I932-S935 CarbonylContact O-C 3.52Å; I932-S935 PolarHBondContact O-N 3.26Å; L933-S935 PolarHBondContact O-N 3.03Å; S935-D937 PolarHBondContact O-N 3.29Å; S935-E938 PolarHBondContact O-N 2.88Å; S935-L939 WeakPolarHBondContact O-CB 3.39Å; S935-L939 WeakPolarHBondContact O-CG 3.18Å; S935-L939 PolarHBondContact O-N 2.93Å
936	Y	91.5	Very high	90.7	Very high	68 Å²	68	57 Å²	57	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-43.5	-169.1	-168.4	-92.1	0	0	0	113.1	I932 L933 L939 S940 L950 L952	I932-Y936 WeakPolarHBondContact O-CB 3.27Å; I932-Y936 PolarHBondContact O-N 2.99Å; L933-Y936 WeakPolarHBondContact O-CB 3.42Å; L933-Y936 PolarHBondContact O-N 3.38Å; L933-Y936 VanDerWaalsContact O-N 3.15Å; Y936-L939 PolarHBondContact O-N 2.97Å; Y936-S940 WeakPolarHBondContact CE1-OG 3.37Å; Y936-S940 VanDerWaalsContact O-CB 3.28Å; Y936-S940 WeakPolarHBondContact O-CB 3.11Å; Y936-S940 PolarHBondContact O-N 2.74Å; Y936-S940 PolarHBondContact O-OG 3.35Å; Y936-L950 HydrophobicContact CD2-CD2 3.64Å; Y936-L950 HydrophobicContact CD2-CG 4.33Å; Y936-L950 HydrophobicContact CE2-CB 4.4Å; Y936-L950 HydrophobicContact CE2-CD2 3.57Å; Y936-L950 HydrophobicContact CE2-CG 3.77Å; Y936-L950 HydrophobicContact CG-CD2 4.25Å; Y936-L950 PolarHBondContact OH-O 3.04Å; Y936-L952 HydrophobicContact CE2-CB 4.01Å
937	D	89.3	Confident	90.8	Very high	126 Å²	126	59.3 Å²	59.3	67%	0.674	30%	0.301	S	S	*	.	H	α-helix	trans	-67	-43.1	-179.4	-69.7	-22	0	0	0	112.2	S935 S940 T941	S935-D937 PolarHBondContact O-N 3.29Å; D937-S940 PolarHBondContact O-N 2.94Å; D937-T941 WeakPolarHBondContact O-CB 3.37Å; D937-T941 PolarHBondContact O-N 2.88Å; D937-T941 PolarHBondContact O-OG1 2.97Å
938	E	90.7	Very high	91	Very high	102 Å²	102	59.3 Å²	59.3	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-47.9	176.3	-177.8	-169.9	160.4	0	0	110.4	S935 T941 M942 R973	S935-E938 PolarHBondContact O-N 2.88Å; E938-T941 PolarHBondContact O-N 3.46Å; E938-M942 PolarHBondContact O-N 3.34Å; E938-R973 IonicContact OE1-CZ 3.89Å; E938-R973 IonicContact OE1-NE 3.23Å; E938-R973 PolarHBondContact OE1-NE 3.49Å; E938-R973 IonicContact OE1-NH2 2.72Å
939	L	94	Very high	91.2	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-40.2	-178.7	-65.7	175.7	0	0	0	111.8	S935 Y936 M942 L943 L950 L972 R973 V976	S935-L939 WeakPolarHBondContact O-CB 3.39Å; S935-L939 WeakPolarHBondContact O-CG 3.18Å; S935-L939 PolarHBondContact O-N 2.93Å; Y936-L939 PolarHBondContact O-N 2.97Å; L939-M942 HydrophobicContact CD2-CE 3.95Å; L939-M942 WeakPolarHBondContact O-CB 3.28Å; L939-M942 PolarHBondContact O-N 2.91Å; L939-L943 WeakPolarHBondContact O-CB 3.48Å; L939-L943 WeakPolarHBondContact O-CD1 3.33Å; L939-L943 WeakPolarHBondContact O-CG 3.22Å; L939-L943 PolarHBondContact O-N 3.39Å; L939-L950 HydrophobicContact CB-CD2 3.84Å; L939-L972 HydrophobicContact CD1-CD2 4.11Å; L939-L972 HydrophobicContact CD1-CG 4.11Å; L939-R973 HydrophobicContact CD2-CB 4.36Å; L939-R973 HydrophobicContact CD2-CG 4.18Å; L939-V976 HydrophobicContact CB-CG1 4.29Å; L939-V976 HydrophobicContact CD1-CB 4.38Å; L939-V976 HydrophobicContact CD1-CG1 4.47Å; L939-V976 HydrophobicContact CD1-CG2 4.15Å; L939-V976 HydrophobicContact CD2-CB 3.98Å; L939-V976 HydrophobicContact CD2-CG1 3.95Å; L939-V976 HydrophobicContact CG-CG1 4.45Å
940	S	91.1	Very high	91.4	Very high	24 Å²	24	56.8 Å²	56.8	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-43.7	175.8	-59.7	0	0	0	0	111.2	Y936 D937 M942 L943 D944	Y936-S940 WeakPolarHBondContact CE1-OG 3.37Å; Y936-S940 VanDerWaalsContact O-CB 3.28Å; Y936-S940 WeakPolarHBondContact O-CB 3.11Å; Y936-S940 PolarHBondContact O-N 2.74Å; Y936-S940 PolarHBondContact O-OG 3.35Å; D937-S940 PolarHBondContact O-N 2.94Å; S940-M942 VanDerWaalsContact C-N 3.31Å; S940-M942 PolarHBondContact O-N 2.86Å; S940-L943 PolarHBondContact O-N 2.84Å; S940-L943 VanDerWaalsContact O-N 3.09Å; S940-D944 PolarHBondContact O-N 3.04Å
941	T	89.1	Confident	91.5	Very high	88 Å²	88	56.9 Å²	56.9	54%	0.54	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-38.6	176.8	-55.5	0	0	0	0	112.1	D937 E938	D937-T941 WeakPolarHBondContact O-CB 3.37Å; D937-T941 PolarHBondContact O-N 2.88Å; D937-T941 PolarHBondContact O-OG1 2.97Å; E938-T941 PolarHBondContact O-N 3.46Å
942	M	91.5	Very high	91.2	Very high	32 Å²	32	59 Å²	59	16%	0.158	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-42.9	174.1	179.5	-178.5	65.6	0	0	111.3	E938 L939 S940 Q945 V976 E977 H980	E938-M942 PolarHBondContact O-N 3.34Å; L939-M942 HydrophobicContact CD2-CE 3.95Å; L939-M942 WeakPolarHBondContact O-CB 3.28Å; L939-M942 PolarHBondContact O-N 2.91Å; S940-M942 VanDerWaalsContact C-N 3.31Å; S940-M942 PolarHBondContact O-N 2.86Å; M942-Q945 WeakPolarHBondContact O-CB 3.22Å; M942-Q945 WeakPolarHBondContact O-CG 3.37Å; M942-Q945 PolarHBondContact O-N 3.36Å; M942-V976 HydrophobicContact CE-CB 4.47Å; M942-V976 HydrophobicContact CE-CG1 3.83Å; M942-E977 HydrophobicContact CE-CB 4.24Å; M942-E977 HydrophobicContact SD-CB 4.19Å; M942-E977 HydrophobicContact SD-CG 4.1Å; M942-H980 HydrophobicContact CE-CB 4.15Å; M942-H980 PolarHBondContact O-CE1 3Å
943	L	92.8	Very high	90.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.5	-35.9	-178.5	-70.5	168.5	0	0	0	113.2	L939 S940 Q945 R946 Q947 Q948 L950 V976 H980 I989	L939-L943 WeakPolarHBondContact O-CB 3.48Å; L939-L943 WeakPolarHBondContact O-CD1 3.33Å; L939-L943 WeakPolarHBondContact O-CG 3.22Å; L939-L943 PolarHBondContact O-N 3.39Å; S940-L943 PolarHBondContact O-N 2.84Å; S940-L943 VanDerWaalsContact O-N 3.09Å; L943-Q945 PolarHBondContact O-N 3.36Å; L943-Q945 VanDerWaalsContact O-N 3.12Å; L943-R946 CarbonylContact O-C 3.51Å; L943-R946 PolarHBondContact O-N 2.89Å; L943-Q947 PolarHBondContact O-N 3.28Å; L943-Q948 CarbonylContact C-O 3.57Å; L943-Q948 HydrophobicContact CB-CB 4.03Å; L943-Q948 HydrophobicContact CD2-CB 3.93Å; L943-Q948 VanDerWaalsContact CD2-OE1 3.26Å; L943-Q948 PolarHBondContact O-N 2.84Å; L943-L950 HydrophobicContact CD1-CB 3.61Å; L943-L950 HydrophobicContact CD1-CD1 3.7Å; L943-L950 HydrophobicContact CD1-CD2 4.33Å; L943-L950 HydrophobicContact CD1-CG 4.07Å; L943-V976 HydrophobicContact CD1-CG1 4.06Å; L943-V976 HydrophobicContact CG-CG1 4.5Å; L943-H980 HydrophobicContact CD2-CB 3.73Å; L943-I989 HydrophobicContact CD1-CB 4.48Å; L943-I989 HydrophobicContact CD2-CB 4.49Å; L943-I989 HydrophobicContact CD2-CD1 3.33Å; L943-I989 HydrophobicContact CD2-CG1 4.32Å
944	D	89.1	Confident	89.7	Confident	108 Å²	108	67 Å²	67	58%	0.578	35%	0.345	S	S	*	.	H	α-helix	trans	-55.8	-29.6	176.2	-79.2	-23.1	0	0	0	112.8	S940 R946 Q947	S940-D944 PolarHBondContact O-N 3.04Å; D944-R946 PolarHBondContact O-N 3.15Å; D944-R946 VanDerWaalsContact O-N 3.13Å; D944-Q947 PolarHBondContact O-N 2.92Å
945	Q	88.2	Confident	88.4	Confident	150 Å²	150	69.1 Å²	69.1	70%	0.701	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.8	177.2	-60.7	-179	4.4	0	0	112.8	M942 L943	M942-Q945 WeakPolarHBondContact O-CB 3.22Å; M942-Q945 WeakPolarHBondContact O-CG 3.37Å; M942-Q945 PolarHBondContact O-N 3.36Å; L943-Q945 PolarHBondContact O-N 3.36Å; L943-Q945 VanDerWaalsContact O-N 3.12Å
946	R	90.5	Very high	87.2	Confident	55 Å²	55	69.5 Å²	69.5	21%	0.208	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	20.9	174.7	-67.1	-175.8	74.4	179.3	3.8	112	L943 D944 Q948 H980 R981 S983 Q985 G986	L943-R946 CarbonylContact O-C 3.51Å; L943-R946 PolarHBondContact O-N 2.89Å; D944-R946 PolarHBondContact O-N 3.15Å; D944-R946 VanDerWaalsContact O-N 3.13Å; R946-Q948 HydrophobicContact CB-CG 3.95Å; R946-Q948 PolarHBondContact O-N 2.93Å; R946-Q948 VanDerWaalsContact O-N 3.09Å; R946-H980 VanDerWaalsContact CD-CE1 3.47Å; R946-H980 WeakPolarHBondContact CD-CE1 3.46Å; R946-H980 PolarHBondContact NH1-O 3.12Å; R946-R981 PolarHBondContact NH1-O 3.04Å; R946-S983 PolarHBondContact NH1-O 3.26Å; R946-S983 PolarHBondContact NH2-O 3.4Å; R946-Q985 HydrophobicContact CB-CG 4.38Å; R946-Q985 WeakPolarHBondContact O-CA 3.45Å; R946-Q985 WeakPolarHBondContact O-CG 3.23Å; R946-G986 PolarHBondContact O-N 3.08Å
947	Q	93	Very high	86.3	Confident	133 Å²	133	69.5 Å²	69.5	62%	0.621	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	28.7	-175.9	-55.6	-176.8	-60.4	0	0	112.8	L943 D944 G986	L943-Q947 PolarHBondContact O-N 3.28Å; D944-Q947 PolarHBondContact O-N 2.92Å; Q947-G986 VanDerWaalsContact O-CA 3.26Å; Q947-G986 WeakPolarHBondContact O-CA 3.45Å
948	Q	94.4	Very high	86.1	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	36%	0.36	C	S	.	.			trans	-87.1	146.5	179.7	-66.9	172.1	-31	0	0	109.3	L943 R946 H980 S983 P984 S987	L943-Q948 CarbonylContact C-O 3.57Å; L943-Q948 HydrophobicContact CB-CB 4.03Å; L943-Q948 HydrophobicContact CD2-CB 3.93Å; L943-Q948 VanDerWaalsContact CD2-OE1 3.26Å; L943-Q948 PolarHBondContact O-N 2.84Å; R946-Q948 HydrophobicContact CB-CG 3.95Å; R946-Q948 PolarHBondContact O-N 2.93Å; R946-Q948 VanDerWaalsContact O-N 3.09Å; Q948-H980 PolarHBondContact NE2-O 3.07Å; Q948-H980 PolarHBondContact OE1-ND1 3.03Å; Q948-S983 PolarHBondContact NE2-O 3.2Å; Q948-P984 PolarHBondContact NE2-O 2.9Å; Q948-S987 CarbonylContact C-O 3.48Å; Q948-S987 WeakPolarHBondContact CA-O 3.04Å; Q948-S987 WeakPolarHBondContact CB-O 3.18Å; Q948-S987 WeakPolarHBondContact CG-OG 3.29Å; Q948-S987 PolarHBondContact NE2-OG 3.44Å
949	T	93.2	Very high	86	Confident	70 Å²	70	61.6 Å²	61.6	43%	0.429	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129	-178.3	-53.4	0	0	0	0	110.7	L951 S987 N988 I989	T949-L951 HydrophobicContact CG2-CD2 3.82Å; T949-L951 HydrophobicContact CG2-CG 4.47Å; T949-S987 PolarHBondContact N-O 2.63Å; T949-N988 WeakPolarHBondContact O-CA 3.44Å; T949-I989 PolarHBondContact O-N 2.92Å
950	L	93.7	Very high	85.8	Confident	8 Å²	8	62.9 Å²	62.9	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.6	172.7	-170.1	57.7	0	0	0	110.5	Y936 L939 L943 I989 I991	Y936-L950 HydrophobicContact CD2-CD2 3.64Å; Y936-L950 HydrophobicContact CD2-CG 4.33Å; Y936-L950 HydrophobicContact CE2-CB 4.4Å; Y936-L950 HydrophobicContact CE2-CD2 3.57Å; Y936-L950 HydrophobicContact CE2-CG 3.77Å; Y936-L950 HydrophobicContact CG-CD2 4.25Å; Y936-L950 PolarHBondContact OH-O 3.04Å; L939-L950 HydrophobicContact CB-CD2 3.84Å; L943-L950 HydrophobicContact CD1-CB 3.61Å; L943-L950 HydrophobicContact CD1-CD1 3.7Å; L943-L950 HydrophobicContact CD1-CD2 4.33Å; L943-L950 HydrophobicContact CD1-CG 4.07Å; L950-I989 CarbonylContact C-O 3.54Å; L950-I989 WeakPolarHBondContact CA-O 3.42Å; L950-I989 HydrophobicContact CD1-CG2 4.35Å; L950-I991 HydrophobicContact CD1-CD1 3.8Å; L950-I991 HydrophobicContact CD1-CG1 3.98Å; L950-I991 HydrophobicContact CD2-CD1 4.28Å; L950-I991 HydrophobicContact CG-CD1 4.37Å
951	L	91.6	Very high	85.7	Confident	59 Å²	59	61.8 Å²	61.8	31%	0.309	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.7	179.1	-59.7	179.8	0	0	0	110.8	T949 N988 I989 M990 I991	T949-L951 HydrophobicContact CG2-CD2 3.82Å; T949-L951 HydrophobicContact CG2-CG 4.47Å; L951-N988 HydrophobicContact CD1-CB 3.72Å; L951-N988 HydrophobicContact CG-CB 4.3Å; L951-I989 PolarHBondContact N-O 3.05Å; L951-M990 HydrophobicContact CB-CB 4.31Å; L951-M990 HydrophobicContact CB-CE 4.17Å; L951-M990 HydrophobicContact CB-CG 4.16Å; L951-M990 HydrophobicContact CD1-CE 3.82Å; L951-M990 WeakPolarHBondContact O-CA 3.36Å; L951-I991 PolarHBondContact O-N 3.02Å
952	L	87.5	Confident	85.6	Confident	45 Å²	45	60.7 Å²	60.7	24%	0.236	33%	0.328	C	S	.	.			trans	-119.8	118.4	169.2	-178.8	68.3	0	0	0	108.2	L928 I932 L933 Y936 E954 I991	L928-L952 HydrophobicContact CD1-CD1 4.5Å; L928-L952 HydrophobicContact CD1-CD2 3.89Å; I932-L952 HydrophobicContact CG2-CD1 4.06Å; I932-L952 HydrophobicContact CG2-CD2 4.1Å; L933-L952 HydrophobicContact CD2-CD2 4.47Å; Y936-L952 HydrophobicContact CE2-CB 4.01Å; L952-E954 PolarHBondContact O-N 2.93Å; L952-I991 HydrophobicContact CD1-CB 4.26Å; L952-I991 HydrophobicContact CD1-CG2 4.39Å
953	P	80.7	Confident	85.4	Confident	53 Å²	53	59.2 Å²	59.2	34%	0.344	32%	0.321	S	S	.	.			trans	-61.1	131.1	177.7	-20.7	31.3	0	0	0	111.6	S955 A956 M990 I991 K992	P953-S955 PolarHBondContact O-N 3.34Å; P953-A956 PolarHBondContact O-N 3.22Å; P953-M990 HydrophobicContact CG-SD 4.47Å; P953-I991 WeakPolarHBondContact CD-O 3.47Å; P953-K992 HydrophobicContact CG-CG 4.38Å
954	E	68.6	Low	85.2	Confident	207 Å²	207	60.7 Å²	60.7	97%	0.967	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.8	-177.3	-71.1	-177	166.8	0	0	114.1	L952	L952-E954 PolarHBondContact O-N 2.93Å
955	S	63.4	Low	85.1	Confident	113 Å²	113	56.1 Å²	56.1	79%	0.79	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	19.6	-177.2	95.2	0	0	0	0	114.9	P953 A957	P953-S955 PolarHBondContact O-N 3.34Å; S955-A957 PolarHBondContact O-N 3.48Å
956	A	66.3	Low	85	Confident	16 Å²	16	52.1 Å²	52.1	13%	0.132	29%	0.292	C	S	.	.			trans	-66.1	103.1	177	0	0	0	0	0	110.1	P953 D958 L993	P953-A956 PolarHBondContact O-N 3.22Å; A956-D958 PolarHBondContact O-N 2.84Å; A956-L993 HydrophobicContact CB-CB 4.25Å; A956-L993 HydrophobicContact CB-CD1 4.35Å
957	A	74.2	Confident	84.9	Confident	69 Å²	69	49.6 Å²	49.6	57%	0.57	28%	0.283	S	S	*	.			trans	-60.3	134.9	170	0	0	0	0	0	109	S955 I959	S955-A957 PolarHBondContact O-N 3.48Å; A957-I959 WeakPolarHBondContact O-CG1 3.1Å; A957-I959 PolarHBondContact O-N 2.88Å
958	D	84.5	Confident	84.9	Confident	54 Å²	54	43.2 Å²	43.2	29%	0.289	25%	0.253	S	S	.	.			trans	-76.8	107.7	178.4	-162.8	-4	0	0	0	109.9	K926 L927 L928 E929 A956	K926-D958 WeakPolarHBondContact CB-OD1 3.43Å; K926-D958 WeakPolarHBondContact CB-OD2 3.44Å; K926-D958 WeakPolarHBondContact CD-OD2 3.42Å; L927-D958 PolarHBondContact N-OD1 2.89Å; L928-D958 HydrophobicContact CB-CB 3.93Å; L928-D958 VanDerWaalsContact CB-CG 3.45Å; L928-D958 WeakPolarHBondContact CB-OD1 3.47Å; L928-D958 HydrophobicContact CD2-CB 4.4Å; L928-D958 PolarHBondContact N-OD1 3.37Å; E929-D958 WeakPolarHBondContact CB-OD2 3.4Å; E929-D958 PolarHBondContact N-OD2 3.04Å; A956-D958 PolarHBondContact O-N 2.84Å
959	I	88.7	Confident	84.8	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.036	27%	0.268	C	S	.	.			trans	-95.5	125.9	-175.1	-48.5	172.2	0	0	0	108.8	L927 A957 Q994 E995 A999 K1069	L927-I959 WeakPolarHBondContact CG-O 3.45Å; L927-I959 PolarHBondContact N-O 2.98Å; A957-I959 WeakPolarHBondContact O-CG1 3.1Å; A957-I959 PolarHBondContact O-N 2.88Å; I959-Q994 WeakPolarHBondContact CD1-O 3.34Å; I959-E995 HydrophobicContact CD1-CB 3.95Å; I959-A999 HydrophobicContact CB-CB 4.13Å; I959-A999 HydrophobicContact CD1-CB 4.4Å; I959-A999 HydrophobicContact CG2-CB 3.51Å; I959-K1069 HydrophobicContact CG2-CG 4.47Å
960	T	89.2	Confident	84.6	Confident	29 Å²	29	44.5 Å²	44.5	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.3	176.6	-48.2	0	0	0	0	111.5	H924 V925 D1070 V1073	H924-T960 HydrophobicContact CB-CG2 4.04Å; V925-T960 WeakPolarHBondContact O-CA 3.48Å; T960-D1070 HydrophobicContact CG2-CB 4.48Å; T960-D1070 PolarHBondContact O-N 3.48Å; T960-V1073 HydrophobicContact CG2-CG2 4.5Å
961	V	89.8	Confident	84.6	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.7	175.4	-62.1	0	0	0	0	110.5	V925 L927 L968 A999 L1067	V925-V961 HydrophobicContact CB-CG2 4.22Å; V925-V961 PolarHBondContact N-O 3.07Å; V925-V961 PolarHBondContact O-N 3.49Å; L927-V961 HydrophobicContact CD1-CG1 3.97Å; L927-V961 HydrophobicContact CD2-CG2 3.73Å; L927-V961 HydrophobicContact CG-CG1 4.18Å; L927-V961 HydrophobicContact CG-CG2 4.06Å; V961-L968 HydrophobicContact CG2-CD1 3.86Å; V961-A999 HydrophobicContact CG1-CB 3.32Å; V961-L1067 HydrophobicContact CG1-CB 3.97Å; V961-L1067 HydrophobicContact CG1-CD1 4.37Å; V961-L1067 HydrophobicContact CG2-CD1 4.31Å
962	Q	86.5	Confident	84.7	Confident	64 Å²	64	41.3 Å²	41.3	30%	0.299	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	118.1	169	-73.1	-142.1	-6.9	0	0	109.4	Y922 Q923 D1070	Y922-Q962 HydrophobicContact CD1-CB 4.02Å; Y922-Q962 HydrophobicContact CG-CB 4.08Å; Q923-Q962 WeakPolarHBondContact O-CA 3.24Å; Q962-D1070 HydrophobicContact CG-CB 3.64Å; Q962-D1070 WeakPolarHBondContact CG-OD1 3.38Å; Q962-D1070 PolarHBondContact NE2-OD1 2.96Å
963	G	87.7	Confident	84.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-159.3	-172.1	0	0	0	0	0	116.4	Q923 H1046	Q923-G963 WeakPolarHBondContact CA-O 3.43Å; Q923-G963 VanDerWaalsContact CB-O 3.3Å; Q923-G963 WeakPolarHBondContact CB-O 3.37Å; Q923-G963 PolarHBondContact N-O 3.49Å; Q923-G963 PolarHBondContact O-N 2.91Å; G963-H1046 WeakPolarHBondContact CA-CD2 3.44Å; G963-H1046 VanDerWaalsContact CA-NE2 3.26Å; G963-H1046 WeakPolarHBondContact CA-NE2 3.25Å
964	D	87.5	Confident	85.4	Confident	32 Å²	32	39.2 Å²	39.2	17%	0.171	22%	0.217	C	C	.	.			trans	-126	119	175.1	179	-63.1	0	0	0	108.5	F917 T966 L967 L968 H1046	F917-D964 HydrophobicContact CE2-CB 3.64Å; F917-D964 HydrophobicContact CZ-CB 3.78Å; D964-T966 PolarHBondContact O-N 3.02Å; D964-T966 VanDerWaalsContact OD1-CA 3.3Å; D964-T966 WeakPolarHBondContact OD1-CA 3.48Å; D964-T966 WeakPolarHBondContact OD1-CB 3.47Å; D964-T966 PolarHBondContact OD1-N 3.34Å; D964-L967 HydrophobicContact CB-CB 4.24Å; D964-L967 HydrophobicContact CB-CD1 4.42Å; D964-L967 HydrophobicContact CB-CG 4.25Å; D964-L967 PolarHBondContact O-N 3.3Å; D964-L967 PolarHBondContact OD1-N 2.9Å; D964-L968 WeakPolarHBondContact O-CG 3.32Å; D964-L968 PolarHBondContact O-N 3Å; D964-H1046 PolarHBondContact N-NE2 2.85Å
965	A	88.3	Confident	86.6	Confident	12 Å²	12	29.6 Å²	29.6	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-31.1	-175.5	0	0	0	0	0	112.7	V925 D930 R969	V925-A965 HydrophobicContact CG1-CB 3.8Å; V925-A965 HydrophobicContact CG2-CB 4.15Å; D930-A965 HydrophobicContact CB-CB 4.15Å; A965-R969 WeakPolarHBondContact O-CB 3.35Å; A965-R969 VanDerWaalsContact O-CG 3.27Å; A965-R969 WeakPolarHBondContact O-CG 3.49Å; A965-R969 PolarHBondContact O-N 3.03Å; A965-R969 PolarHBondContact O-NE 3.49Å
966	T	86.4	Confident	88	Confident	65 Å²	65	24.2 Å²	24.2	40%	0.399	14%	0.135	S	C	.	.	H	α-helix	trans	-71.8	-43.6	179.8	-54	0	0	0	0	111.1	D964 R969 M970	D964-T966 PolarHBondContact O-N 3.02Å; D964-T966 VanDerWaalsContact OD1-CA 3.3Å; D964-T966 WeakPolarHBondContact OD1-CA 3.48Å; D964-T966 WeakPolarHBondContact OD1-CB 3.47Å; D964-T966 PolarHBondContact OD1-N 3.34Å; T966-R969 PolarHBondContact O-N 2.87Å; T966-R969 PolarHBondContact OG1-NH2 2.69Å; T966-M970 PolarHBondContact O-N 2.9Å
967	L	88.2	Confident	89.1	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-42.3	173.6	-72.2	-169.3	0	0	0	111.9	L910 A913 F917 D964 R969 M970 L971 I1042 L1045	L910-L967 HydrophobicContact CD2-CD2 4.18Å; A913-L967 HydrophobicContact CB-CD1 3.42Å; A913-L967 VanDerWaalsContact CB-CD1 3.42Å; A913-L967 HydrophobicContact CB-CD2 3.74Å; A913-L967 HydrophobicContact CB-CG 3.64Å; F917-L967 HydrophobicContact CD2-CD1 4.37Å; F917-L967 HydrophobicContact CE2-CD1 3.76Å; D964-L967 HydrophobicContact CB-CB 4.24Å; D964-L967 HydrophobicContact CB-CD1 4.42Å; D964-L967 HydrophobicContact CB-CG 4.25Å; D964-L967 PolarHBondContact O-N 3.3Å; D964-L967 PolarHBondContact OD1-N 2.9Å; L967-R969 VanDerWaalsContact C-N 3.32Å; L967-R969 PolarHBondContact O-N 3.47Å; L967-M970 HydrophobicContact CD2-CE 3.45Å; L967-M970 VanDerWaalsContact CD2-CE 3.45Å; L967-M970 WeakPolarHBondContact O-CB 3.33Å; L967-M970 PolarHBondContact O-N 3.38Å; L967-L971 WeakPolarHBondContact O-CB 3.28Å; L967-L971 PolarHBondContact O-N 3.34Å; L967-I1042 HydrophobicContact CB-CG1 4.45Å; L967-I1042 HydrophobicContact CB-CG2 3.89Å; L967-I1042 HydrophobicContact CD2-CG1 4.45Å; L967-I1042 WeakPolarHBondContact O-CD1 3.18Å; L967-L1045 HydrophobicContact CD1-CD1 4.09Å
968	L	92.1	Very high	89.8	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.4	-35.6	178.8	-68.9	172.6	0	0	0	112.2	V925 L927 V931 V961 D964 L971 L972 L1067	V925-L968 HydrophobicContact CB-CD1 4.33Å; V925-L968 HydrophobicContact CG1-CD1 4.01Å; L927-L968 HydrophobicContact CD2-CD1 3.98Å; V931-L968 HydrophobicContact CG1-CB 4Å; V931-L968 HydrophobicContact CG2-CB 3.69Å; V931-L968 HydrophobicContact CG2-CD1 4.33Å; V961-L968 HydrophobicContact CG2-CD1 3.86Å; D964-L968 WeakPolarHBondContact O-CG 3.32Å; D964-L968 PolarHBondContact O-N 3Å; L968-L971 WeakPolarHBondContact O-CB 3.38Å; L968-L971 PolarHBondContact O-N 3.39Å; L968-L972 PolarHBondContact O-N 2.93Å; L968-L1067 HydrophobicContact CD2-CD1 3.67Å
969	R	92.2	Very high	90.2	Very high	85 Å²	85	21.5 Å²	21.5	32%	0.321	11%	0.108	S	C	.	.	H	α-helix	trans	-63.4	-43	170.2	-75.9	-178.2	-64.1	-166.8	2.6	112.2	V931 A965 T966 L967 L971 L972 R973	V931-R969 HydrophobicContact CB-CG 4.24Å; V931-R969 HydrophobicContact CG1-CG 3.91Å; A965-R969 WeakPolarHBondContact O-CB 3.35Å; A965-R969 VanDerWaalsContact O-CG 3.27Å; A965-R969 WeakPolarHBondContact O-CG 3.49Å; A965-R969 PolarHBondContact O-N 3.03Å; A965-R969 PolarHBondContact O-NE 3.49Å; T966-R969 PolarHBondContact O-N 2.87Å; T966-R969 PolarHBondContact OG1-NH2 2.69Å; L967-R969 VanDerWaalsContact C-N 3.32Å; L967-R969 PolarHBondContact O-N 3.47Å; R969-L971 VanDerWaalsContact C-N 3.31Å; R969-L971 PolarHBondContact O-N 2.99Å; R969-L972 PolarHBondContact O-N 2.92Å; R969-R973 WeakPolarHBondContact O-CB 3.3Å; R969-R973 PolarHBondContact O-N 2.91Å
970	M	89.4	Confident	90.3	Very high	13 Å²	13	22.4 Å²	22.4	6%	0.064	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-38.4	175.7	-178.5	170.8	69.2	0	0	112.1	Q906 L910 T966 L967 N974 I1038 I1042	Q906-M970 HydrophobicContact CB-SD 3.65Å; Q906-M970 HydrophobicContact CG-CG 4.34Å; Q906-M970 HydrophobicContact CG-SD 3.59Å; Q906-M970 VanDerWaalsContact CG-SD 3.59Å; L910-M970 HydrophobicContact CD1-CE 4.43Å; L910-M970 HydrophobicContact CD2-CE 4.32Å; L910-M970 HydrophobicContact CG-CE 3.77Å; T966-M970 PolarHBondContact O-N 2.9Å; L967-M970 HydrophobicContact CD2-CE 3.45Å; L967-M970 VanDerWaalsContact CD2-CE 3.45Å; L967-M970 WeakPolarHBondContact O-CB 3.33Å; L967-M970 PolarHBondContact O-N 3.38Å; M970-N974 PolarHBondContact O-N 2.96Å; M970-N974 PolarHBondContact O-ND2 3.4Å; M970-I1038 HydrophobicContact CE-CG2 4.06Å; M970-I1038 HydrophobicContact CG-CG2 4.4Å; M970-I1038 HydrophobicContact SD-CG2 4.44Å; M970-I1042 HydrophobicContact CB-CD1 4.38Å; M970-I1042 HydrophobicContact CE-CD1 3.56Å; M970-I1042 HydrophobicContact CE-CG1 4.13Å; M970-I1042 HydrophobicContact CG-CD1 4.33Å
971	L	93.1	Very high	90.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.2	-52.8	173.5	-175.3	159.7	0	0	0	110.6	L967 L968 R969 R973 N974 L975 M1001 V1039 I1042 V1065	L967-L971 WeakPolarHBondContact O-CB 3.28Å; L967-L971 PolarHBondContact O-N 3.34Å; L968-L971 WeakPolarHBondContact O-CB 3.38Å; L968-L971 PolarHBondContact O-N 3.39Å; R969-L971 VanDerWaalsContact C-N 3.31Å; R969-L971 PolarHBondContact O-N 2.99Å; L971-R973 VanDerWaalsContact C-N 3.34Å; L971-R973 PolarHBondContact O-N 3.34Å; L971-N974 PolarHBondContact O-N 2.81Å; L971-L975 HydrophobicContact CD2-CD1 3.65Å; L971-L975 HydrophobicContact CD2-CG 4.19Å; L971-L975 PolarHBondContact O-N 2.86Å; L971-L975 VanDerWaalsContact O-N 3.08Å; L971-M1001 HydrophobicContact CD2-CE 3.72Å; L971-V1039 HydrophobicContact CD1-CG1 4.37Å; L971-V1039 HydrophobicContact CD2-CG1 4.4Å; L971-V1039 HydrophobicContact CG-CB 4.42Å; L971-V1039 HydrophobicContact CG-CG1 4.02Å; L971-V1039 HydrophobicContact CG-CG2 4.21Å; L971-I1042 HydrophobicContact CB-CB 4.49Å; L971-I1042 HydrophobicContact CB-CD1 3.82Å; L971-I1042 HydrophobicContact CB-CG2 4.16Å; L971-I1042 HydrophobicContact CD1-CB 4Å; L971-I1042 HydrophobicContact CD1-CG2 3.72Å; L971-V1065 HydrophobicContact CD1-CG1 4.18Å; L971-V1065 HydrophobicContact CD2-CG1 4.2Å; L971-V1065 HydrophobicContact CD2-CG2 4.19Å
972	L	94.1	Very high	90.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-46.8	179.4	179	63.4	0	0	0	111.3	V931 I932 L939 L968 R969 N974 L975 V976 I991 M1001 V1003	V931-L972 HydrophobicContact CG1-CB 4.43Å; V931-L972 HydrophobicContact CG1-CD2 4.22Å; I932-L972 HydrophobicContact CB-CD2 4.32Å; I932-L972 HydrophobicContact CG1-CD2 3.83Å; L939-L972 HydrophobicContact CD1-CD2 4.11Å; L939-L972 HydrophobicContact CD1-CG 4.11Å; L968-L972 PolarHBondContact O-N 2.93Å; R969-L972 PolarHBondContact O-N 2.92Å; L972-N974 PolarHBondContact O-N 3.26Å; L972-L975 PolarHBondContact O-N 3.28Å; L972-V976 HydrophobicContact CD1-CG2 4.06Å; L972-V976 HydrophobicContact CG-CG2 4.44Å; L972-V976 WeakPolarHBondContact O-CG2 3.31Å; L972-V976 PolarHBondContact O-N 2.87Å; L972-I991 HydrophobicContact CD1-CD1 4.02Å; L972-I991 HydrophobicContact CD1-CG1 4.3Å; L972-I991 HydrophobicContact CD1-CG2 4.31Å; L972-I991 HydrophobicContact CD2-CD1 4.39Å; L972-M1001 HydrophobicContact CB-CE 4.35Å; L972-M1001 HydrophobicContact CD1-SD 4.24Å; L972-V1003 HydrophobicContact CD1-CG2 3.91Å
973	R	92.7	Very high	90.3	Very high	46 Å²	46	23 Å²	23	17%	0.174	11%	0.109	C	C	.	.	H	α-helix	trans	-57.4	-46.2	177.3	-175.6	-180	-178	-94.7	14.6	112.2	E902 E938 L939 R969 L971 L975 V976 E977	E902-R973 IonicContact OE1-CZ 2.94Å; E902-R973 IonicContact OE1-NH1 2.72Å; E902-R973 PolarHBondContact OE1-NH1 2.94Å; E902-R973 VanDerWaalsContact OE1-NH1 3.09Å; E902-R973 IonicContact OE1-NH2 3.95Å; E902-R973 PolarHBondContact OE1-NH2 3.3Å; E902-R973 IonicContact OE2-NH2 2.67Å; E938-R973 IonicContact OE1-CZ 3.89Å; E938-R973 IonicContact OE1-NE 3.23Å; E938-R973 PolarHBondContact OE1-NE 3.49Å; E938-R973 IonicContact OE1-NH2 2.72Å; L939-R973 HydrophobicContact CD2-CB 4.36Å; L939-R973 HydrophobicContact CD2-CG 4.18Å; R969-R973 WeakPolarHBondContact O-CB 3.3Å; R969-R973 PolarHBondContact O-N 2.91Å; L971-R973 VanDerWaalsContact C-N 3.34Å; L971-R973 PolarHBondContact O-N 3.34Å; R973-L975 VanDerWaalsContact C-N 3.32Å; R973-L975 PolarHBondContact O-N 3.19Å; R973-V976 PolarHBondContact O-N 2.62Å; R973-E977 IonicContact NH1-OE2 3.82Å; R973-E977 WeakPolarHBondContact O-CB 3.19Å; R973-E977 PolarHBondContact O-N 3.13Å
974	N	89.6	Confident	90.2	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.043	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-36	178.1	-86.9	-82.4	0	0	0	112.8	M970 L971 L972 N978 G1035 V1039	M970-N974 PolarHBondContact O-N 2.96Å; M970-N974 PolarHBondContact O-ND2 3.4Å; L971-N974 PolarHBondContact O-N 2.81Å; L972-N974 PolarHBondContact O-N 3.26Å; N974-N978 PolarHBondContact O-N 3.03Å; N974-N978 PolarHBondContact O-ND2 3.36Å; N974-N978 VanDerWaalsContact O-ND2 3.11Å; N974-G1035 VanDerWaalsContact OD1-CA 3.23Å; N974-G1035 WeakPolarHBondContact OD1-CA 3.23Å; N974-V1039 HydrophobicContact CB-CG2 3.76Å
975	L	93.5	Very high	90.3	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-68.7	-46.9	175.8	-69.7	-176	0	0	0	111.9	L971 L972 R973 N978 A979 V1003 L1036 V1039 F1050 A1063	L971-L975 HydrophobicContact CD2-CD1 3.65Å; L971-L975 HydrophobicContact CD2-CG 4.19Å; L971-L975 PolarHBondContact O-N 2.86Å; L971-L975 VanDerWaalsContact O-N 3.08Å; L972-L975 PolarHBondContact O-N 3.28Å; R973-L975 VanDerWaalsContact C-N 3.32Å; R973-L975 PolarHBondContact O-N 3.19Å; L975-N978 PolarHBondContact O-N 3.32Å; L975-A979 PolarHBondContact O-N 3.04Å; L975-V1003 HydrophobicContact CB-CB 4.09Å; L975-V1003 HydrophobicContact CB-CG2 3.71Å; L975-V1003 HydrophobicContact CD1-CG2 4.08Å; L975-L1036 HydrophobicContact CD2-CD2 4.34Å; L975-V1039 HydrophobicContact CD2-CG1 4.05Å; L975-V1039 HydrophobicContact CD2-CG2 3.98Å; L975-V1039 HydrophobicContact CG-CG1 4.45Å; L975-V1039 HydrophobicContact CG-CG2 4.13Å; L975-F1050 HydrophobicContact CD2-CE2 4.07Å; L975-F1050 HydrophobicContact CD2-CZ 4.3Å; L975-A1063 HydrophobicContact CD2-CB 3.72Å
976	V	93.7	Very high	90.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.9	-35.2	-179.9	177.7	0	0	0	0	111.7	L939 M942 L943 L972 R973 N978 A979 H980 I989 I991 V1003	L939-V976 HydrophobicContact CB-CG1 4.29Å; L939-V976 HydrophobicContact CD1-CB 4.38Å; L939-V976 HydrophobicContact CD1-CG1 4.47Å; L939-V976 HydrophobicContact CD1-CG2 4.15Å; L939-V976 HydrophobicContact CD2-CB 3.98Å; L939-V976 HydrophobicContact CD2-CG1 3.95Å; L939-V976 HydrophobicContact CG-CG1 4.45Å; M942-V976 HydrophobicContact CE-CB 4.47Å; M942-V976 HydrophobicContact CE-CG1 3.83Å; L943-V976 HydrophobicContact CD1-CG1 4.06Å; L943-V976 HydrophobicContact CG-CG1 4.5Å; L972-V976 HydrophobicContact CD1-CG2 4.06Å; L972-V976 HydrophobicContact CG-CG2 4.44Å; L972-V976 WeakPolarHBondContact O-CG2 3.31Å; L972-V976 PolarHBondContact O-N 2.87Å; R973-V976 PolarHBondContact O-N 2.62Å; V976-N978 VanDerWaalsContact C-N 3.34Å; V976-N978 PolarHBondContact O-N 2.93Å; V976-A979 WeakPolarHBondContact O-CB 3.22Å; V976-A979 PolarHBondContact O-N 3.23Å; V976-H980 WeakPolarHBondContact O-CB 3.42Å; V976-H980 PolarHBondContact O-N 2.94Å; V976-I989 HydrophobicContact CG1-CG2 4.46Å; V976-I991 HydrophobicContact CG2-CD1 4.31Å; V976-I991 HydrophobicContact CG2-CG1 4.4Å; V976-V1003 HydrophobicContact CG2-CG1 3.99Å; V976-V1003 HydrophobicContact CG2-CG2 3.97Å
977	E	90.2	Very high	90.6	Very high	42 Å²	42	29.5 Å²	29.5	20%	0.196	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-39.5	174	-170.8	-170.8	154.2	0	0	111.6	M942 R973 H980 R981	M942-E977 HydrophobicContact CE-CB 4.24Å; M942-E977 HydrophobicContact SD-CB 4.19Å; M942-E977 HydrophobicContact SD-CG 4.1Å; R973-E977 IonicContact NH1-OE2 3.82Å; R973-E977 WeakPolarHBondContact O-CB 3.19Å; R973-E977 PolarHBondContact O-N 3.13Å; E977-H980 PolarHBondContact O-N 3.23Å; E977-R981 WeakPolarHBondContact O-CB 3.36Å; E977-R981 PolarHBondContact O-N 3.39Å; E977-R981 VanDerWaalsContact O-N 3.08Å; E977-R981 IonicContact OE1-CZ 2.89Å; E977-R981 IonicContact OE1-NH2 3.73Å; E977-R981 PolarHBondContact OE1-NH2 2.94Å
978	N	88.9	Confident	90.8	Very high	33 Å²	33	32.2 Å²	32.2	18%	0.176	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-45.3	172.8	-78.4	-34.5	0	0	0	111.2	N974 L975 V976 H980 R981 Y982	N974-N978 PolarHBondContact O-N 3.03Å; N974-N978 PolarHBondContact O-ND2 3.36Å; N974-N978 VanDerWaalsContact O-ND2 3.11Å; L975-N978 PolarHBondContact O-N 3.32Å; V976-N978 VanDerWaalsContact C-N 3.34Å; V976-N978 PolarHBondContact O-N 2.93Å; N978-H980 PolarHBondContact O-N 3.32Å; N978-R981 PolarHBondContact O-N 3.44Å; N978-Y982 WeakPolarHBondContact O-CD2 3.38Å; N978-Y982 PolarHBondContact O-N 3.18Å; N978-Y982 VanDerWaalsContact O-N 3.07Å
979	A	91.6	Very high	90.9	Very high	7 Å²	7	32.2 Å²	32.2	6%	0.058	16%	0.164	C	C	.	.	H	α-helix	trans	-57.2	-49.6	175.2	0	0	0	0	0	111.5	L975 V976 R981 Y982 S983 I989 V1003 D1005	L975-A979 PolarHBondContact O-N 3.04Å; V976-A979 WeakPolarHBondContact O-CB 3.22Å; V976-A979 PolarHBondContact O-N 3.23Å; A979-R981 PolarHBondContact O-N 3.37Å; A979-Y982 PolarHBondContact O-N 2.99Å; A979-S983 WeakPolarHBondContact O-CB 3.34Å; A979-S983 PolarHBondContact O-N 3.36Å; A979-S983 PolarHBondContact O-OG 2.81Å; A979-I989 VanDerWaalsContact C-CD1 3.41Å; A979-I989 HydrophobicContact CB-CD1 3.6Å; A979-I989 HydrophobicContact CB-CG1 4.05Å; A979-I989 HydrophobicContact CB-CG2 3.8Å; A979-V1003 HydrophobicContact CB-CG1 4.1Å; A979-D1005 HydrophobicContact CB-CB 3.53Å
980	H	91.8	Very high	90.9	Very high	25 Å²	25	30.5 Å²	30.5	12%	0.116	16%	0.161	C	C	.	.	H	α-helix	trans	-53.8	-41	177.3	171.9	60.3	0	0	0	112.4	M942 L943 R946 Q948 V976 E977 N978 I989	M942-H980 HydrophobicContact CE-CB 4.15Å; M942-H980 PolarHBondContact O-CE1 3Å; L943-H980 HydrophobicContact CD2-CB 3.73Å; R946-H980 VanDerWaalsContact CD-CE1 3.47Å; R946-H980 WeakPolarHBondContact CD-CE1 3.46Å; R946-H980 PolarHBondContact NH1-O 3.12Å; Q948-H980 PolarHBondContact NE2-O 3.07Å; Q948-H980 PolarHBondContact OE1-ND1 3.03Å; V976-H980 WeakPolarHBondContact O-CB 3.42Å; V976-H980 PolarHBondContact O-N 2.94Å; E977-H980 PolarHBondContact O-N 3.23Å; N978-H980 PolarHBondContact O-N 3.32Å; H980-I989 HydrophobicContact CB-CD1 4.45Å
981	R	86	Confident	91.1	Very high	39 Å²	39	29.9 Å²	29.9	15%	0.147	16%	0.157	C	C	.	.	H	α-helix	trans	-71.1	-45.4	-177.6	-169.4	177.2	-65.6	169.8	6.6	112.5	R946 E977 N978 A979 Y1029 G1030	R946-R981 PolarHBondContact NH1-O 3.04Å; E977-R981 WeakPolarHBondContact O-CB 3.36Å; E977-R981 PolarHBondContact O-N 3.39Å; E977-R981 VanDerWaalsContact O-N 3.08Å; E977-R981 IonicContact OE1-CZ 2.89Å; E977-R981 IonicContact OE1-NH2 3.73Å; E977-R981 PolarHBondContact OE1-NH2 2.94Å; N978-R981 PolarHBondContact O-N 3.44Å; A979-R981 PolarHBondContact O-N 3.37Å; R981-Y1029 HydrophobicContact CG-CD1 4.1Å; R981-Y1029 HydrophobicContact CG-CD2 4.07Å; R981-Y1029 HydrophobicContact CG-CG 3.65Å; R981-G1030 VanDerWaalsContact CZ-O 3.3Å; R981-G1030 PolarHBondContact NH1-O 3.35Å; R981-G1030 VanDerWaalsContact NH1-O 3.07Å
982	Y	89	Confident	91	Very high	68 Å²	68	32.4 Å²	32.4	27%	0.267	17%	0.168	S	C	.	.	H	α-helix	trans	-93.3	-18.6	-172.6	-65.7	-68.7	0	0	0	114.4	N978 A979 P1008 D1026 Y1029	N978-Y982 WeakPolarHBondContact O-CD2 3.38Å; N978-Y982 PolarHBondContact O-N 3.18Å; N978-Y982 VanDerWaalsContact O-N 3.07Å; A979-Y982 PolarHBondContact O-N 2.99Å; Y982-P1008 WeakPolarHBondContact O-CD 3.44Å; Y982-D1026 HydrophobicContact CE1-CB 4.14Å; Y982-Y1029 HydrophobicContact CD1-CD2 4.15Å; Y982-Y1029 HydrophobicContact CD1-CE2 4.28Å; Y982-Y1029 HydrophobicContact CE1-CD2 4.04Å
983	S	89.8	Confident	90.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.173	C	C	.	.	S	Bend	trans	-74.4	149.5	174	-76.3	0	0	0	0	112.8	R946 Q948 A979 S987 D1005 E1006 G1007	R946-S983 PolarHBondContact NH1-O 3.26Å; R946-S983 PolarHBondContact NH2-O 3.4Å; Q948-S983 PolarHBondContact NE2-O 3.2Å; A979-S983 WeakPolarHBondContact O-CB 3.34Å; A979-S983 PolarHBondContact O-N 3.36Å; A979-S983 PolarHBondContact O-OG 2.81Å; S983-S987 VanDerWaalsContact CB-OG 3.24Å; S983-S987 WeakPolarHBondContact CB-OG 3.42Å; S983-D1005 WeakPolarHBondContact OG-CB 3.24Å; S983-D1005 PolarHBondContact OG-OD2 3.25Å; S983-E1006 PolarHBondContact OG-N 3.42Å; S983-G1007 PolarHBondContact OG-N 3.09Å
984	P	86.4	Confident	90.6	Very high	69 Å²	69	35.4 Å²	35.4	45%	0.448	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-60	162.6	173.2	-21.5	32.9	0	0	0	113.1	Q948 S987 E1006	Q948-P984 PolarHBondContact NE2-O 2.9Å; P984-S987 WeakPolarHBondContact O-CB 3.42Å; P984-S987 PolarHBondContact O-N 3.22Å; P984-S987 PolarHBondContact O-OG 3.28Å; P984-E1006 WeakPolarHBondContact CD-O 3.29Å
985	Q	89.5	Confident	90.2	Very high	127 Å²	127	40.8 Å²	40.8	59%	0.593	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	140.1	170.6	-167.9	-179.4	-23.2	0	0	109.7	R946 S987	R946-Q985 HydrophobicContact CB-CG 4.38Å; R946-Q985 WeakPolarHBondContact O-CA 3.45Å; R946-Q985 WeakPolarHBondContact O-CG 3.23Å; Q985-S987 VanDerWaalsContact C-N 3.3Å; Q985-S987 PolarHBondContact O-N 3.23Å
986	G	88.5	Confident	89.3	Confident	45 Å²	45	44.6 Å²	44.6	46%	0.464	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	2.7	-178.3	0	0	0	0	0	115.5	R946 Q947	R946-G986 PolarHBondContact O-N 3.08Å; Q947-G986 VanDerWaalsContact O-CA 3.26Å; Q947-G986 WeakPolarHBondContact O-CA 3.45Å
987	S	91.8	Very high	88.4	Confident	5 Å²	5	52.3 Å²	52.3	4%	0.035	27%	0.271	C	S	.	.			trans	-77.4	163.2	-177.6	64.9	0	0	0	0	113.5	Q948 T949 S983 P984 Q985 E1006	Q948-S987 CarbonylContact C-O 3.48Å; Q948-S987 WeakPolarHBondContact CA-O 3.04Å; Q948-S987 WeakPolarHBondContact CB-O 3.18Å; Q948-S987 WeakPolarHBondContact CG-OG 3.29Å; Q948-S987 PolarHBondContact NE2-OG 3.44Å; T949-S987 PolarHBondContact N-O 2.63Å; S983-S987 VanDerWaalsContact CB-OG 3.24Å; S983-S987 WeakPolarHBondContact CB-OG 3.42Å; P984-S987 WeakPolarHBondContact O-CB 3.42Å; P984-S987 PolarHBondContact O-N 3.22Å; P984-S987 PolarHBondContact O-OG 3.28Å; Q985-S987 VanDerWaalsContact C-N 3.3Å; Q985-S987 PolarHBondContact O-N 3.23Å; S987-E1006 WeakPolarHBondContact CA-OE2 3.41Å; S987-E1006 WeakPolarHBondContact CB-OE2 3.02Å
988	N	92.6	Very high	88	Confident	59 Å²	59	50.7 Å²	50.7	32%	0.316	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.3	171	-58.4	-53.9	0	0	0	111.4	T949 L951 E1006	T949-N988 WeakPolarHBondContact O-CA 3.44Å; L951-N988 HydrophobicContact CD1-CB 3.72Å; L951-N988 HydrophobicContact CG-CB 4.3Å; N988-E1006 PolarHBondContact N-OE2 3.28Å
989	I	94.1	Very high	87.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.3	171.3	-67.6	172.4	0	0	0	107.4	L943 T949 L950 L951 V976 A979 H980 V1003 E1004 D1005	L943-I989 HydrophobicContact CD1-CB 4.48Å; L943-I989 HydrophobicContact CD2-CB 4.49Å; L943-I989 HydrophobicContact CD2-CD1 3.33Å; L943-I989 HydrophobicContact CD2-CG1 4.32Å; T949-I989 PolarHBondContact O-N 2.92Å; L950-I989 CarbonylContact C-O 3.54Å; L950-I989 WeakPolarHBondContact CA-O 3.42Å; L950-I989 HydrophobicContact CD1-CG2 4.35Å; L951-I989 PolarHBondContact N-O 3.05Å; V976-I989 HydrophobicContact CG1-CG2 4.46Å; A979-I989 VanDerWaalsContact C-CD1 3.41Å; A979-I989 HydrophobicContact CB-CD1 3.6Å; A979-I989 HydrophobicContact CB-CG1 4.05Å; A979-I989 HydrophobicContact CB-CG2 3.8Å; H980-I989 HydrophobicContact CB-CD1 4.45Å; I989-V1003 HydrophobicContact CG2-CG1 3.91Å; I989-E1004 WeakPolarHBondContact CA-O 3.31Å; I989-D1005 HydrophobicContact CG1-CB 4.39Å
990	M	93.2	Very high	87.9	Confident	49 Å²	49	49 Å²	49	24%	0.241	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.9	-170.8	-169.7	176.4	-65.9	0	0	111.5	L951 P953 K992 V1003 E1004	L951-M990 HydrophobicContact CB-CB 4.31Å; L951-M990 HydrophobicContact CB-CE 4.17Å; L951-M990 HydrophobicContact CB-CG 4.16Å; L951-M990 HydrophobicContact CD1-CE 3.82Å; L951-M990 WeakPolarHBondContact O-CA 3.36Å; P953-M990 HydrophobicContact CG-SD 4.47Å; M990-K992 HydrophobicContact CG-CG 4.08Å; M990-K992 HydrophobicContact SD-CD 4.29Å; M990-K992 WeakPolarHBondContact SD-CE 3.43Å; M990-K992 HydrophobicContact SD-CG 4.08Å; M990-V1003 WeakPolarHBondContact O-CA 3.28Å; M990-E1004 HydrophobicContact CB-CB 4.42Å; M990-E1004 PolarHBondContact N-O 3.06Å; M990-E1004 PolarHBondContact O-N 2.95Å
991	I	93.4	Very high	87.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.4	170	-57.7	169.9	0	0	0	108	I932 L950 L951 L952 P953 L972 V976 A1002 V1003	I932-I991 HydrophobicContact CD1-CG2 3.71Å; I932-I991 HydrophobicContact CG1-CG2 4.16Å; I932-I991 HydrophobicContact CG2-CD1 4.29Å; L950-I991 HydrophobicContact CD1-CD1 3.8Å; L950-I991 HydrophobicContact CD1-CG1 3.98Å; L950-I991 HydrophobicContact CD2-CD1 4.28Å; L950-I991 HydrophobicContact CG-CD1 4.37Å; L951-I991 PolarHBondContact O-N 3.02Å; L952-I991 HydrophobicContact CD1-CB 4.26Å; L952-I991 HydrophobicContact CD1-CG2 4.39Å; P953-I991 WeakPolarHBondContact CD-O 3.47Å; L972-I991 HydrophobicContact CD1-CD1 4.02Å; L972-I991 HydrophobicContact CD1-CG1 4.3Å; L972-I991 HydrophobicContact CD1-CG2 4.31Å; L972-I991 HydrophobicContact CD2-CD1 4.39Å; V976-I991 HydrophobicContact CG2-CD1 4.31Å; V976-I991 HydrophobicContact CG2-CG1 4.4Å; I991-A1002 CarbonylContact C-O 3.6Å; I991-A1002 WeakPolarHBondContact CA-O 3.38Å; I991-V1003 HydrophobicContact CG1-CG2 4.5Å
992	K	90.5	Very high	88.2	Confident	53 Å²	53	46 Å²	46	23%	0.23	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134	175.8	-67.1	-177.1	-175.9	163.2	0	110.8	P953 M990 A1002 E1004	P953-K992 HydrophobicContact CG-CG 4.38Å; M990-K992 HydrophobicContact CG-CG 4.08Å; M990-K992 HydrophobicContact SD-CD 4.29Å; M990-K992 WeakPolarHBondContact SD-CE 3.43Å; M990-K992 HydrophobicContact SD-CG 4.08Å; K992-A1002 HydrophobicContact CB-CB 4.4Å; K992-A1002 PolarHBondContact N-O 2.68Å; K992-A1002 PolarHBondContact O-N 2.85Å; K992-E1004 WeakPolarHBondContact CE-OE2 3.43Å; K992-E1004 IonicContact NZ-OE1 2.84Å; K992-E1004 PolarHBondContact NZ-OE1 3.2Å; K992-E1004 IonicContact NZ-OE2 3.64Å; K992-E1004 PolarHBondContact NZ-OE2 3.01Å
993	L	90.5	Very high	88.5	Confident	18 Å²	18	42.9 Å²	42.9	9%	0.094	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129	164.7	-73	173.8	0	0	0	109.2	L927 L928 I932 A956 V1000 M1001	L927-L993 HydrophobicContact CB-CD1 4.19Å; L927-L993 HydrophobicContact CB-CD2 3.86Å; L927-L993 HydrophobicContact CD1-CD2 3.8Å; L927-L993 HydrophobicContact CG-CD2 4.49Å; L928-L993 HydrophobicContact CB-CD1 4.08Å; L928-L993 HydrophobicContact CD1-CD1 4.48Å; I932-L993 HydrophobicContact CD1-CD1 3.45Å; I932-L993 VanDerWaalsContact CD1-CD1 3.45Å; I932-L993 HydrophobicContact CD1-CD2 4.02Å; I932-L993 HydrophobicContact CD1-CG 3.64Å; A956-L993 HydrophobicContact CB-CB 4.25Å; A956-L993 HydrophobicContact CB-CD1 4.35Å; L993-V1000 WeakPolarHBondContact CA-O 3.44Å; L993-M1001 HydrophobicContact CD2-CB 3.87Å; L993-M1001 HydrophobicContact CD2-CG 3.93Å
994	Q	87.7	Confident	88.6	Confident	91 Å²	91	43.3 Å²	43.3	43%	0.425	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.4	177	-68.4	-179.4	-30.1	0	0	109.7	I959 V1000	I959-Q994 WeakPolarHBondContact CD1-O 3.34Å; Q994-V1000 HydrophobicContact CB-CB 4.39Å; Q994-V1000 PolarHBondContact N-O 2.03Å; Q994-V1000 PolarHBondContact O-N 3.44Å
995	E	81.3	Confident	89	Confident	120 Å²	120	40.6 Å²	40.6	56%	0.561	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	112.8	170.1	-167.9	172.6	172.3	0	0	108.7	I959 G998 K1069	I959-E995 HydrophobicContact CD1-CB 3.95Å; E995-G998 WeakPolarHBondContact CA-O 3.49Å; E995-K1069 WeakPolarHBondContact OE1-CD 3.32Å; E995-K1069 IonicContact OE1-NZ 3.2Å; E995-K1069 PolarHBondContact OE1-NZ 3Å; E995-K1069 IonicContact OE2-NZ 3.86Å; E995-K1069 PolarHBondContact OE2-NZ 2.8Å
996	D	75.2	Confident	89.1	Confident	86 Å²	86	37.2 Å²	37.2	46%	0.46	20%	0.2	S	C	.	.	S	Bend	trans	-149.3	94.7	-178.3	175.2	47.9	0	0	0	109.3	G998 V1000 R1066	D996-G998 PolarHBondContact N-O 3.12Å; D996-G998 PolarHBondContact O-N 3.34Å; D996-V1000 HydrophobicContact CB-CG2 4.25Å; D996-R1066 IonicContact OD2-CZ 3.77Å; D996-R1066 IonicContact OD2-NH2 2.75Å; D996-R1066 PolarHBondContact OD2-NH2 2.63Å
997	D	75	Confident	89	Confident	161 Å²	161	35.2 Å²	35.2	86%	0.861	18%	0.179	S	C	*	.	S	Bend	trans	46.6	37.8	-173.7	-160.7	26.4	0	0	0	113
998	G	80.9	Confident	88.7	Confident	9 Å²	9	39.6 Å²	39.6	9%	0.093	21%	0.208	C	C	.	.	S	Bend	trans	142.2	-178.3	-167.7	0	0	0	0	0	112.2	E995 D996 L1067	E995-G998 WeakPolarHBondContact CA-O 3.49Å; D996-G998 PolarHBondContact N-O 3.12Å; D996-G998 PolarHBondContact O-N 3.34Å; G998-L1067 WeakPolarHBondContact CA-O 3.43Å
999	A	87.7	Confident	88.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.4	175.2	0	0	0	0	0	109.8	L927 I959 V961 L1067	L927-A999 HydrophobicContact CD1-CB 3.77Å; I959-A999 HydrophobicContact CB-CB 4.13Å; I959-A999 HydrophobicContact CD1-CB 4.4Å; I959-A999 HydrophobicContact CG2-CB 3.51Å; V961-A999 HydrophobicContact CG1-CB 3.32Å; A999-L1067 HydrophobicContact CB-CB 4.44Å; A999-L1067 PolarHBondContact N-O 2.97Å; A999-L1067 PolarHBondContact O-N 3.5Å
1000	V	90.5	Very high	87.9	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.8	177.5	176.7	0	0	0	0	109.7	L993 Q994 D996 W1064 V1065 R1066	L993-V1000 WeakPolarHBondContact CA-O 3.44Å; Q994-V1000 HydrophobicContact CB-CB 4.39Å; Q994-V1000 PolarHBondContact N-O 2.03Å; Q994-V1000 PolarHBondContact O-N 3.44Å; D996-V1000 HydrophobicContact CB-CG2 4.25Å; V1000-W1064 HydrophobicContact CG1-CB 4.41Å; V1000-W1064 HydrophobicContact CG1-CD2 4.46Å; V1000-W1064 HydrophobicContact CG1-CE3 3.76Å; V1000-W1064 HydrophobicContact CG1-CZ3 4.45Å; V1000-W1064 HydrophobicContact CG2-CE3 4.46Å; V1000-W1064 HydrophobicContact CG2-CZ3 4.42Å; V1000-V1065 WeakPolarHBondContact CA-O 3.46Å; V1000-R1066 HydrophobicContact CG2-CB 4.29Å; V1000-R1066 HydrophobicContact CG2-CG 4.14Å
1001	M	92.8	Very high	87.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.5	171.3	-175.1	173.6	66	0	0	109.1	I932 L971 L972 L993 W1064 V1065	I932-M1001 HydrophobicContact CD1-SD 4.46Å; I932-M1001 HydrophobicContact CG1-SD 4.37Å; L971-M1001 HydrophobicContact CD2-CE 3.72Å; L972-M1001 HydrophobicContact CB-CE 4.35Å; L972-M1001 HydrophobicContact CD1-SD 4.24Å; L993-M1001 HydrophobicContact CD2-CB 3.87Å; L993-M1001 HydrophobicContact CD2-CG 3.93Å; M1001-W1064 WeakPolarHBondContact O-CA 3.39Å; M1001-V1065 HydrophobicContact CB-CG2 3.97Å; M1001-V1065 HydrophobicContact CE-CG2 4.15Å; M1001-V1065 PolarHBondContact N-O 2.98Å; M1001-V1065 PolarHBondContact O-N 3.32Å
1002	A	92.4	Very high	86.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.6	-176.3	0	0	0	0	0	111.6	I991 K992 R1062 A1063 W1064	I991-A1002 CarbonylContact C-O 3.6Å; I991-A1002 WeakPolarHBondContact CA-O 3.38Å; K992-A1002 HydrophobicContact CB-CB 4.4Å; K992-A1002 PolarHBondContact N-O 2.68Å; K992-A1002 PolarHBondContact O-N 2.85Å; A1002-R1062 HydrophobicContact CB-CG 4.44Å; A1002-A1063 CarbonylContact C-O 3.5Å; A1002-A1063 WeakPolarHBondContact CA-O 3.29Å; A1002-W1064 HydrophobicContact CB-CB 3.56Å
1003	V	94.3	Very high	86.3	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.024	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.6	167.4	-178.5	0	0	0	0	107.7	L972 L975 V976 A979 I989 M990 I991 A1063	L972-V1003 HydrophobicContact CD1-CG2 3.91Å; L975-V1003 HydrophobicContact CB-CB 4.09Å; L975-V1003 HydrophobicContact CB-CG2 3.71Å; L975-V1003 HydrophobicContact CD1-CG2 4.08Å; V976-V1003 HydrophobicContact CG2-CG1 3.99Å; V976-V1003 HydrophobicContact CG2-CG2 3.97Å; A979-V1003 HydrophobicContact CB-CG1 4.1Å; I989-V1003 HydrophobicContact CG2-CG1 3.91Å; M990-V1003 WeakPolarHBondContact O-CA 3.28Å; I991-V1003 HydrophobicContact CG1-CG2 4.5Å; V1003-A1063 PolarHBondContact N-O 3.23Å; V1003-A1063 PolarHBondContact O-N 2.88Å
1004	E	93.3	Very high	85.8	Confident	10 Å²	10	52 Å²	52	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.3	177.4	-71.2	176.7	-167.3	0	0	109.5	I989 M990 K992 R1055 R1062	I989-E1004 WeakPolarHBondContact CA-O 3.31Å; M990-E1004 HydrophobicContact CB-CB 4.42Å; M990-E1004 PolarHBondContact N-O 3.06Å; M990-E1004 PolarHBondContact O-N 2.95Å; K992-E1004 WeakPolarHBondContact CE-OE2 3.43Å; K992-E1004 IonicContact NZ-OE1 2.84Å; K992-E1004 PolarHBondContact NZ-OE1 3.2Å; K992-E1004 IonicContact NZ-OE2 3.64Å; K992-E1004 PolarHBondContact NZ-OE2 3.01Å; E1004-R1055 IonicContact OE2-CZ 3.94Å; E1004-R1055 IonicContact OE2-NE 3.92Å; E1004-R1055 IonicContact OE2-NH2 2.94Å; E1004-R1062 HydrophobicContact CG-CB 3.99Å; E1004-R1062 HydrophobicContact CG-CG 3.71Å; E1004-R1062 WeakPolarHBondContact OE1-CD 3.29Å; E1004-R1062 IonicContact OE1-NE 3.33Å; E1004-R1062 PolarHBondContact OE1-NE 3.36Å
1005	D	93.5	Very high	85.2	Confident	11 Å²	11	49.1 Å²	49.1	6%	0.059	27%	0.272	C	S	.	.			trans	-113.2	175.2	178	92.4	-69.7	0	0	0	111.1	A979 S983 I989 G1007 R1055 G1060 T1061	A979-D1005 HydrophobicContact CB-CB 3.53Å; S983-D1005 WeakPolarHBondContact OG-CB 3.24Å; S983-D1005 PolarHBondContact OG-OD2 3.25Å; I989-D1005 HydrophobicContact CG1-CB 4.39Å; D1005-G1007 VanDerWaalsContact OD2-CA 3.23Å; D1005-G1007 WeakPolarHBondContact OD2-CA 3.5Å; D1005-G1007 PolarHBondContact OD2-N 3.46Å; D1005-R1055 VanDerWaalsContact O-CD 3.26Å; D1005-R1055 WeakPolarHBondContact O-CD 3.44Å; D1005-R1055 PolarHBondContact O-NH1 3.39Å; D1005-G1060 WeakPolarHBondContact O-CA 3.47Å; D1005-T1061 PolarHBondContact N-O 2.86Å; D1005-T1061 VanDerWaalsContact N-O 3.08Å; D1005-T1061 WeakPolarHBondContact OD1-CA 2.99Å; D1005-T1061 VanDerWaalsContact OD1-CB 3.31Å; D1005-T1061 WeakPolarHBondContact OD1-CB 3.21Å; D1005-T1061 PolarHBondContact OD1-N 3.34Å
1006	E	91.4	Very high	84.9	Confident	57 Å²	57	45.8 Å²	45.8	27%	0.266	27%	0.27	S	S	.	.			trans	-115.6	25.4	178.8	-66.5	177.1	161.7	0	0	111.9	S983 P984 S987 N988 S1059	S983-E1006 PolarHBondContact OG-N 3.42Å; P984-E1006 WeakPolarHBondContact CD-O 3.29Å; S987-E1006 WeakPolarHBondContact CA-OE2 3.41Å; S987-E1006 WeakPolarHBondContact CB-OE2 3.02Å; N988-E1006 PolarHBondContact N-OE2 3.28Å; E1006-S1059 WeakPolarHBondContact CA-O 3.16Å
1007	G	87.4	Confident	84.8	Confident	2 Å²	2	46 Å²	46	2%	0.021	27%	0.268	C	S	.	.	S	Bend	trans	-68.2	-174.3	177.5	0	0	0	0	0	115.3	S983 D1005 G1009 S1059 G1060	S983-G1007 PolarHBondContact OG-N 3.09Å; D1005-G1007 VanDerWaalsContact OD2-CA 3.23Å; D1005-G1007 WeakPolarHBondContact OD2-CA 3.5Å; D1005-G1007 PolarHBondContact OD2-N 3.46Å; G1007-G1009 PolarHBondContact O-N 3.48Å; G1007-G1009 VanDerWaalsContact O-N 3.15Å; G1007-S1059 CarbonylContact O-C 3.2Å; G1007-G1060 WeakPolarHBondContact O-CA 3.29Å; G1007-G1060 PolarHBondContact O-N 2.87Å
1008	P	85.5	Confident	84.8	Confident	98 Å²	98	39.7 Å²	39.7	64%	0.636	24%	0.235	S	C	*	.			trans	-70.5	-5.7	-179.1	29.8	-35.8	0	0	0	114.2	Y982	Y982-P1008 WeakPolarHBondContact O-CD 3.44Å
1009	G	84.8	Confident	84.3	Confident	22 Å²	22	41 Å²	41	23%	0.227	24%	0.242	C	C	.	.			trans	80.4	-179.3	-166.7	0	0	0	0	0	112.7	G1007 N1054 T1061	G1007-G1009 PolarHBondContact O-N 3.48Å; G1007-G1009 VanDerWaalsContact O-N 3.15Å; G1009-N1054 WeakPolarHBondContact CA-OD1 3.2Å; G1009-T1061 WeakPolarHBondContact CA-OG1 3.39Å
1010	I	85	Confident	83.7	Confident	43 Å²	43	46.2 Å²	46.2	22%	0.221	27%	0.265	C	S	.	.			trans	-124.5	160.7	-179.7	57.6	170.4	0	0	0	111	E1012 C1015 L1018 L1052 N1054 T1061	I1010-E1012 PolarHBondContact O-N 3.35Å; I1010-C1015 VanDerWaalsContact CD1-SG 3.53Å; I1010-L1018 HydrophobicContact CB-CD1 4.23Å; I1010-L1018 HydrophobicContact CD1-CD1 4.32Å; I1010-L1018 HydrophobicContact CG2-CD1 4.29Å; I1010-L1052 HydrophobicContact CD1-CB 4.18Å; I1010-L1052 HydrophobicContact CD1-CD2 3.21Å; I1010-L1052 HydrophobicContact CD1-CG 3.37Å; I1010-N1054 WeakPolarHBondContact CG1-OD1 3.28Å; I1010-N1054 PolarHBondContact N-OD1 2.73Å; I1010-N1054 PolarHBondContact O-ND2 2.84Å; I1010-T1061 HydrophobicContact CD1-CG2 4Å; I1010-T1061 HydrophobicContact CG1-CG2 4.21Å; I1010-T1061 HydrophobicContact CG2-CG2 4.34Å
1011	D	82.9	Confident	82.6	Confident	81 Å²	81	48.3 Å²	48.3	43%	0.433	28%	0.283	S	S	.	.			trans	-77	102.5	166.4	-178.1	-3.6	0	0	0	109.6	S1013 K1014	D1011-S1013 VanDerWaalsContact CG-OG 3.27Å; D1011-S1013 PolarHBondContact O-N 3.44Å; D1011-S1013 WeakPolarHBondContact OD1-CB 3.16Å; D1011-S1013 PolarHBondContact OD1-N 3.02Å; D1011-S1013 VanDerWaalsContact OD1-N 3.14Å; D1011-S1013 PolarHBondContact OD1-OG 2.63Å; D1011-S1013 PolarHBondContact OD2-OG 2.63Å; D1011-K1014 PolarHBondContact O-N 3.48Å; D1011-K1014 WeakPolarHBondContact OD2-CD 3.34Å; D1011-K1014 WeakPolarHBondContact OD2-CE 3.4Å
1012	E	81.4	Confident	81.4	Confident	104 Å²	104	55 Å²	55	49%	0.486	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62	-25.8	-176.6	-68.2	-177.3	175	0	0	113.1	I1010 K1014 C1015 N1054	I1010-E1012 PolarHBondContact O-N 3.35Å; E1012-K1014 PolarHBondContact O-N 3.06Å; E1012-C1015 PolarHBondContact O-N 2.93Å; E1012-N1054 VanDerWaalsContact OE1-CB 3.3Å; E1012-N1054 WeakPolarHBondContact OE1-CB 3.24Å; E1012-N1054 PolarHBondContact OE1-N 3.04Å; E1012-N1054 PolarHBondContact OE1-ND2 3.49Å
1013	S	79.4	Confident	80.2	Confident	101 Å²	101	57.2 Å²	57.2	71%	0.706	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-64.7	-20.6	176.3	73.2	0	0	0	0	112.7	D1011	D1011-S1013 VanDerWaalsContact CG-OG 3.27Å; D1011-S1013 PolarHBondContact O-N 3.44Å; D1011-S1013 WeakPolarHBondContact OD1-CB 3.16Å; D1011-S1013 PolarHBondContact OD1-N 3.02Å; D1011-S1013 VanDerWaalsContact OD1-N 3.14Å; D1011-S1013 PolarHBondContact OD1-OG 2.63Å; D1011-S1013 PolarHBondContact OD2-OG 2.63Å
1014	K	79.1	Confident	78.9	Confident	87 Å²	87	61 Å²	61	38%	0.378	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-109.9	12.1	-178	-58.4	-174.3	-174.8	-179.9	0	113.7	D1011 E1012 G1016 E1017 L1018 M1025	D1011-K1014 PolarHBondContact O-N 3.48Å; D1011-K1014 WeakPolarHBondContact OD2-CD 3.34Å; D1011-K1014 WeakPolarHBondContact OD2-CE 3.4Å; E1012-K1014 PolarHBondContact O-N 3.06Å; K1014-G1016 PolarHBondContact O-N 2.91Å; K1014-G1016 VanDerWaalsContact O-N 3.16Å; K1014-E1017 PolarHBondContact O-N 2.83Å; K1014-L1018 PolarHBondContact O-N 3.39Å; K1014-L1018 VanDerWaalsContact O-N 3.14Å; K1014-M1025 HydrophobicContact CB-CE 3.99Å; K1014-M1025 HydrophobicContact CD-CE 3.55Å; K1014-M1025 HydrophobicContact CD-SD 3.83Å; K1014-M1025 HydrophobicContact CG-CE 4.3Å
1015	C	76.1	Confident	77.5	Confident	31 Å²	31	64.8 Å²	64.8	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-52.3	-39.2	178.1	-81.7	0	0	0	0	113	I1010 E1012 E1017 L1018 L1052	I1010-C1015 VanDerWaalsContact CD1-SG 3.53Å; E1012-C1015 PolarHBondContact O-N 2.93Å; C1015-E1017 VanDerWaalsContact C-N 3.28Å; C1015-E1017 PolarHBondContact O-N 3.39Å; C1015-L1018 PolarHBondContact O-N 2.86Å; C1015-L1052 PolarHBondContact SG-O 3.29Å
1016	G	73.8	Confident	76.1	Confident	51 Å²	51	65.6 Å²	65.6	53%	0.526	36%	0.363	S	S	.	.	H	α-helix	trans	-68	-21.2	177.7	0	0	0	0	0	114.7	K1014 S1019	K1014-G1016 PolarHBondContact O-N 2.91Å; K1014-G1016 VanDerWaalsContact O-N 3.16Å; G1016-S1019 PolarHBondContact O-OG 3.37Å
1017	E	74.6	Confident	74.8	Confident	89 Å²	89	68.2 Å²	68.2	42%	0.416	39%	0.387	S	S	.	.	H	α-helix	trans	-88	-33	174.4	-66.5	-165.2	154.1	0	0	112.3	K1014 C1015 S1019 K1020 V1023 M1025	K1014-E1017 PolarHBondContact O-N 2.83Å; C1015-E1017 VanDerWaalsContact C-N 3.28Å; C1015-E1017 PolarHBondContact O-N 3.39Å; E1017-S1019 PolarHBondContact O-N 3.17Å; E1017-K1020 WeakPolarHBondContact O-CB 3.31Å; E1017-K1020 PolarHBondContact O-N 2.91Å; E1017-V1023 WeakPolarHBondContact O-CG1 3.48Å; E1017-M1025 HydrophobicContact CB-CE 3.94Å; E1017-M1025 WeakPolarHBondContact OE2-CE 3.43Å
1018	L	73.5	Confident	73.6	Confident	30 Å²	30	76.7 Å²	76.7	16%	0.157	42%	0.418	C	S	.	.	H	α-helix	trans	-62.3	-27	178.8	-73.2	171	0	0	0	113.2	I1010 K1014 C1015 M1025 L1036 L1052	I1010-L1018 HydrophobicContact CB-CD1 4.23Å; I1010-L1018 HydrophobicContact CD1-CD1 4.32Å; I1010-L1018 HydrophobicContact CG2-CD1 4.29Å; K1014-L1018 PolarHBondContact O-N 3.39Å; K1014-L1018 VanDerWaalsContact O-N 3.14Å; C1015-L1018 PolarHBondContact O-N 2.86Å; L1018-M1025 HydrophobicContact CD2-CB 4Å; L1018-M1025 HydrophobicContact CD2-CG 3.55Å; L1018-M1025 HydrophobicContact CG-CG 4.38Å; L1018-L1036 HydrophobicContact CB-CD1 4.21Å; L1018-L1036 WeakPolarHBondContact O-CD1 3.46Å; L1018-L1052 HydrophobicContact CB-CD2 4.49Å; L1018-L1052 HydrophobicContact CD1-CD2 3.98Å
1019	S	72.1	Confident	72.6	Confident	35 Å²	35	76 Å²	76	25%	0.245	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.8	176.5	61.1	0	0	0	0	114.2	G1016 E1017 S1037	G1016-S1019 PolarHBondContact O-OG 3.37Å; E1017-S1019 PolarHBondContact O-N 3.17Å; S1019-S1037 WeakPolarHBondContact O-CA 3.37Å; S1019-S1037 WeakPolarHBondContact O-CB 3.37Å
1020	K	73.3	Confident	71.3	Confident	111 Å²	111	77.5 Å²	77.5	48%	0.483	42%	0.419	S	S	.	.	S	Bend	trans	-76.2	142.9	178.3	-66.1	178.4	-176.7	172.4	0	110.9	E1017 V1023	E1017-K1020 WeakPolarHBondContact O-CB 3.31Å; E1017-K1020 PolarHBondContact O-N 2.91Å; K1020-V1023 HydrophobicContact CB-CB 4.24Å; K1020-V1023 HydrophobicContact CB-CG2 3.67Å; K1020-V1023 PolarHBondContact O-N 2.99Å
1021	A	68.1	Low	70.4	Confident	48 Å²	48	76.2 Å²	76.2	40%	0.397	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	139.6	178.7	0	0	0	0	0	111.6	V1023 L1034	A1021-V1023 PolarHBondContact O-N 3.5Å; A1021-L1034 HydrophobicContact CB-CD2 4.06Å
1022	F	67.1	Low	69.7	Low	139 Å²	139	75 Å²	75	61%	0.61	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	8.5	178.9	-49.1	-75.8	0	0	0	115.4	I1032 G1033 L1034	F1022-I1032 HydrophobicContact CD1-CG2 3.87Å; F1022-I1032 HydrophobicContact CE1-CG2 3.94Å; F1022-G1033 PolarHBondContact N-O 3.28Å; F1022-L1034 HydrophobicContact CD1-CD2 4.19Å; F1022-L1034 HydrophobicContact CD1-CG 4.36Å; F1022-L1034 HydrophobicContact CE1-CD1 4.07Å; F1022-L1034 HydrophobicContact CE1-CD2 3.85Å; F1022-L1034 HydrophobicContact CE1-CG 4.09Å; F1022-L1034 HydrophobicContact CE2-CD2 4.21Å; F1022-L1034 HydrophobicContact CZ-CD2 3.86Å
1023	V	67.1	Low	69.3	Low	48 Å²	48	71 Å²	71	29%	0.291	40%	0.396	S	S	.	.			trans	-92.4	128.1	178.4	179.4	0	0	0	0	110	E1017 K1020 A1021	E1017-V1023 WeakPolarHBondContact O-CG1 3.48Å; K1020-V1023 HydrophobicContact CB-CB 4.24Å; K1020-V1023 HydrophobicContact CB-CG2 3.67Å; K1020-V1023 PolarHBondContact O-N 2.99Å; A1021-V1023 PolarHBondContact O-N 3.5Å
1024	R	66.6	Low	69.1	Low	83 Å²	83	66.9 Å²	66.9	31%	0.313	37%	0.366	S	S	.	.			trans	-134.9	123.5	176.5	-64.1	-166.6	61.9	-160.8	-10.7	110.5	D1026 Y1029 G1031	R1024-D1026 PolarHBondContact NH2-O 3.36Å; R1024-Y1029 VanDerWaalsContact CZ-O 3.23Å; R1024-Y1029 PolarHBondContact NH1-O 3.37Å; R1024-Y1029 PolarHBondContact NH2-O 3.43Å; R1024-G1031 WeakPolarHBondContact CD-O 3.31Å; R1024-G1031 VanDerWaalsContact NH1-N 3.14Å; R1024-G1031 PolarHBondContact NH1-O 3.01Å
1025	M	63.9	Low	69.1	Low	90 Å²	90	63.5 Å²	63.5	44%	0.443	36%	0.356	S	S	.	.	S	Bend	trans	-88.6	-23.7	176.3	-69.6	-78.9	175.2	0	0	112.9	K1014 E1017 L1018	K1014-M1025 HydrophobicContact CB-CE 3.99Å; K1014-M1025 HydrophobicContact CD-CE 3.55Å; K1014-M1025 HydrophobicContact CD-SD 3.83Å; K1014-M1025 HydrophobicContact CG-CE 4.3Å; E1017-M1025 HydrophobicContact CB-CE 3.94Å; E1017-M1025 WeakPolarHBondContact OE2-CE 3.43Å; L1018-M1025 HydrophobicContact CD2-CB 4Å; L1018-M1025 HydrophobicContact CD2-CG 3.55Å; L1018-M1025 HydrophobicContact CG-CG 4.38Å
1026	D	64.6	Low	69.5	Low	28 Å²	28	63.5 Å²	63.5	15%	0.15	35%	0.354	C	S	.	.			trans	-124.2	121	-178.6	-170	-8.5	0	0	0	110.2	Y982 R1024 R1028	Y982-D1026 HydrophobicContact CE1-CB 4.14Å; R1024-D1026 PolarHBondContact NH2-O 3.36Å; D1026-R1028 VanDerWaalsContact CG-NE 3.34Å; D1026-R1028 VanDerWaalsContact OD1-CB 3.24Å; D1026-R1028 WeakPolarHBondContact OD1-CB 3.29Å; D1026-R1028 WeakPolarHBondContact OD1-CG 3.38Å; D1026-R1028 IonicContact OD1-CZ 3.83Å; D1026-R1028 PolarHBondContact OD1-N 2.9Å; D1026-R1028 IonicContact OD1-NE 2.99Å; D1026-R1028 PolarHBondContact OD1-NE 3.31Å; D1026-R1028 IonicContact OD2-CZ 3.21Å; D1026-R1028 IonicContact OD2-NE 2.76Å; D1026-R1028 PolarHBondContact OD2-NE 2.97Å; D1026-R1028 IonicContact OD2-NH2 2.87Å; D1026-R1028 PolarHBondContact OD2-NH2 3.31Å
1027	S	64.6	Low	69.9	Low	111 Å²	111	62.1 Å²	62.1	78%	0.776	34%	0.336	S	S	*	.			trans	-95.8	-1.2	-179.6	55.6	0	0	0	0	113.8	Y1029	S1027-Y1029 PolarHBondContact O-N 3.36Å
1028	R	62.1	Low	70.4	Confident	180 Å²	180	58 Å²	58	68%	0.679	32%	0.317	S	S	*	.	S	Bend	trans	-62.1	-27.2	-176.2	-71.1	179	-69.6	-175.5	0	114.1	D1026	D1026-R1028 VanDerWaalsContact CG-NE 3.34Å; D1026-R1028 VanDerWaalsContact OD1-CB 3.24Å; D1026-R1028 WeakPolarHBondContact OD1-CB 3.29Å; D1026-R1028 WeakPolarHBondContact OD1-CG 3.38Å; D1026-R1028 IonicContact OD1-CZ 3.83Å; D1026-R1028 PolarHBondContact OD1-N 2.9Å; D1026-R1028 IonicContact OD1-NE 2.99Å; D1026-R1028 PolarHBondContact OD1-NE 3.31Å; D1026-R1028 IonicContact OD2-CZ 3.21Å; D1026-R1028 IonicContact OD2-NE 2.76Å; D1026-R1028 PolarHBondContact OD2-NE 2.97Å; D1026-R1028 IonicContact OD2-NH2 2.87Å; D1026-R1028 PolarHBondContact OD2-NH2 3.31Å
1029	Y	63.8	Low	71.1	Confident	83 Å²	83	56.5 Å²	56.5	33%	0.325	31%	0.309	S	S	.	.	S	Bend	trans	-117.1	152.2	-180	-58.8	-78.7	0	0	0	111.1	R981 Y982 R1024 S1027	R981-Y1029 HydrophobicContact CG-CD1 4.1Å; R981-Y1029 HydrophobicContact CG-CD2 4.07Å; R981-Y1029 HydrophobicContact CG-CG 3.65Å; Y982-Y1029 HydrophobicContact CD1-CD2 4.15Å; Y982-Y1029 HydrophobicContact CD1-CE2 4.28Å; Y982-Y1029 HydrophobicContact CE1-CD2 4.04Å; R1024-Y1029 VanDerWaalsContact CZ-O 3.23Å; R1024-Y1029 PolarHBondContact NH1-O 3.37Å; R1024-Y1029 PolarHBondContact NH2-O 3.43Å; S1027-Y1029 PolarHBondContact O-N 3.36Å
1030	G	59.3	Low	71.8	Confident	54 Å²	54	56.1 Å²	56.1	56%	0.557	31%	0.306	S	S	*	.			trans	-70.8	150.4	177.8	0	0	0	0	0	113.4	R981	R981-G1030 VanDerWaalsContact CZ-O 3.3Å; R981-G1030 PolarHBondContact NH1-O 3.35Å; R981-G1030 VanDerWaalsContact NH1-O 3.07Å
1031	G	65.8	Low	72.3	Confident	17 Å²	17	57.4 Å²	57.4	18%	0.175	31%	0.308	C	S	.	.			trans	154.6	155.8	175.8	0	0	0	0	0	116.1	R1024	R1024-G1031 WeakPolarHBondContact CD-O 3.31Å; R1024-G1031 VanDerWaalsContact NH1-N 3.14Å; R1024-G1031 PolarHBondContact NH1-O 3.01Å
1032	I	67	Low	73.3	Confident	56 Å²	56	55.1 Å²	55.1	29%	0.287	29%	0.289	S	S	.	.			trans	-86.9	-19.3	-174.7	-57.9	175.3	0	0	0	113	M900 F1022 L1034	M900-I1032 HydrophobicContact CB-CD1 4.17Å; M900-I1032 HydrophobicContact CG-CD1 4.28Å; F1022-I1032 HydrophobicContact CD1-CG2 3.87Å; F1022-I1032 HydrophobicContact CE1-CG2 3.94Å; I1032-L1034 HydrophobicContact CB-CD1 4.45Å; I1032-L1034 HydrophobicContact CG2-CD1 3.78Å; I1032-L1034 HydrophobicContact CG2-CG 3.97Å
1033	G	72.9	Confident	74.3	Confident	19 Å²	19	48.6 Å²	48.6	20%	0.196	26%	0.261	C	S	.	.	S	Bend	trans	82.3	28.8	-176.7	0	0	0	0	0	113.9	F1022	F1022-G1033 PolarHBondContact N-O 3.28Å
1034	L	75.5	Confident	75.2	Confident	14 Å²	14	51.2 Å²	51.2	7%	0.073	27%	0.27	C	S	.	.			trans	-100.9	-15.7	176.6	-71.2	170	0	0	0	113.8	L907 A1021 F1022 I1032 L1036 S1037 I1038	L907-L1034 HydrophobicContact CD1-CD1 4.12Å; A1021-L1034 HydrophobicContact CB-CD2 4.06Å; F1022-L1034 HydrophobicContact CD1-CD2 4.19Å; F1022-L1034 HydrophobicContact CD1-CG 4.36Å; F1022-L1034 HydrophobicContact CE1-CD1 4.07Å; F1022-L1034 HydrophobicContact CE1-CD2 3.85Å; F1022-L1034 HydrophobicContact CE1-CG 4.09Å; F1022-L1034 HydrophobicContact CE2-CD2 4.21Å; F1022-L1034 HydrophobicContact CZ-CD2 3.86Å; I1032-L1034 HydrophobicContact CB-CD1 4.45Å; I1032-L1034 HydrophobicContact CG2-CD1 3.78Å; I1032-L1034 HydrophobicContact CG2-CG 3.97Å; L1034-L1036 PolarHBondContact O-N 3.48Å; L1034-S1037 PolarHBondContact O-N 3.49Å; L1034-S1037 PolarHBondContact O-OG 3.5Å; L1034-I1038 HydrophobicContact CB-CD1 4.08Å; L1034-I1038 WeakPolarHBondContact O-CB 3.26Å; L1034-I1038 WeakPolarHBondContact O-CG1 3.46Å; L1034-I1038 PolarHBondContact O-N 2.72Å
1035	G	79.2	Confident	76.1	Confident	16 Å²	16	48.3 Å²	48.3	17%	0.165	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-49.7	-171	0	0	0	0	0	113.9	N974 I1038 V1039	N974-G1035 VanDerWaalsContact OD1-CA 3.23Å; N974-G1035 WeakPolarHBondContact OD1-CA 3.23Å; G1035-I1038 WeakPolarHBondContact O-CB 3.26Å; G1035-I1038 PolarHBondContact O-N 3.2Å; G1035-V1039 WeakPolarHBondContact O-CG2 3.31Å; G1035-V1039 PolarHBondContact O-N 2.88Å
1036	L	85.6	Confident	77.2	Confident	31 Å²	31	44.3 Å²	44.3	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-72	-29	179.5	-66.7	-178.1	0	0	0	113.3	L975 L1018 L1034 V1039 S1040 F1050 L1052	L975-L1036 HydrophobicContact CD2-CD2 4.34Å; L1018-L1036 HydrophobicContact CB-CD1 4.21Å; L1018-L1036 WeakPolarHBondContact O-CD1 3.46Å; L1034-L1036 PolarHBondContact O-N 3.48Å; L1036-V1039 PolarHBondContact O-N 3.36Å; L1036-S1040 WeakPolarHBondContact O-CB 3.08Å; L1036-S1040 PolarHBondContact O-N 3.41Å; L1036-F1050 HydrophobicContact CD2-CE1 4.25Å; L1036-F1050 HydrophobicContact CD2-CZ 3.9Å; L1036-L1052 HydrophobicContact CD1-CD2 4.4Å
1037	S	82	Confident	78.1	Confident	22 Å²	22	49.7 Å²	49.7	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-71.1	-36.2	174.2	66	0	0	0	0	111.5	S1019 L1034 S1040 R1041	S1019-S1037 WeakPolarHBondContact O-CA 3.37Å; S1019-S1037 WeakPolarHBondContact O-CB 3.37Å; L1034-S1037 PolarHBondContact O-N 3.49Å; L1034-S1037 PolarHBondContact O-OG 3.5Å; S1037-S1040 PolarHBondContact O-N 3.37Å; S1037-R1041 WeakPolarHBondContact O-CB 3.28Å; S1037-R1041 PolarHBondContact O-N 3.43Å
1038	I	84.1	Confident	79.2	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-49.6	170.5	-71.7	169.1	0	0	0	110	Q906 L910 M970 L1034 G1035 S1040 R1041 I1042	Q906-I1038 HydrophobicContact CB-CD1 4.03Å; Q906-I1038 VanDerWaalsContact OE1-CD1 3.28Å; L910-I1038 HydrophobicContact CD1-CB 4.14Å; L910-I1038 HydrophobicContact CD1-CG1 3.87Å; L910-I1038 HydrophobicContact CD1-CG2 3.89Å; M970-I1038 HydrophobicContact CE-CG2 4.06Å; M970-I1038 HydrophobicContact CG-CG2 4.4Å; M970-I1038 HydrophobicContact SD-CG2 4.44Å; L1034-I1038 HydrophobicContact CB-CD1 4.08Å; L1034-I1038 WeakPolarHBondContact O-CB 3.26Å; L1034-I1038 WeakPolarHBondContact O-CG1 3.46Å; L1034-I1038 PolarHBondContact O-N 2.72Å; G1035-I1038 WeakPolarHBondContact O-CB 3.26Å; G1035-I1038 PolarHBondContact O-N 3.2Å; I1038-S1040 PolarHBondContact O-N 3.02Å; I1038-R1041 PolarHBondContact O-N 2.88Å; I1038-R1041 VanDerWaalsContact O-N 3.13Å; I1038-I1042 HydrophobicContact CG2-CD1 3.71Å; I1038-I1042 HydrophobicContact CG2-CG1 4.4Å; I1038-I1042 VanDerWaalsContact O-CG1 3.27Å; I1038-I1042 WeakPolarHBondContact O-CG1 3.35Å; I1038-I1042 PolarHBondContact O-N 3.3Å
1039	V	89.1	Confident	80.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-48.3	175.7	168.2	0	0	0	0	111.3	L971 N974 L975 G1035 L1036 R1041 I1042 T1043 F1050 V1065	L971-V1039 HydrophobicContact CD1-CG1 4.37Å; L971-V1039 HydrophobicContact CD2-CG1 4.4Å; L971-V1039 HydrophobicContact CG-CB 4.42Å; L971-V1039 HydrophobicContact CG-CG1 4.02Å; L971-V1039 HydrophobicContact CG-CG2 4.21Å; N974-V1039 HydrophobicContact CB-CG2 3.76Å; L975-V1039 HydrophobicContact CD2-CG1 4.05Å; L975-V1039 HydrophobicContact CD2-CG2 3.98Å; L975-V1039 HydrophobicContact CG-CG1 4.45Å; L975-V1039 HydrophobicContact CG-CG2 4.13Å; G1035-V1039 WeakPolarHBondContact O-CG2 3.31Å; G1035-V1039 PolarHBondContact O-N 2.88Å; L1036-V1039 PolarHBondContact O-N 3.36Å; V1039-R1041 VanDerWaalsContact C-N 3.3Å; V1039-R1041 PolarHBondContact O-N 2.96Å; V1039-I1042 PolarHBondContact O-N 2.85Å; V1039-T1043 WeakPolarHBondContact O-CB 3.18Å; V1039-T1043 PolarHBondContact O-N 2.93Å; V1039-T1043 PolarHBondContact O-OG1 3.48Å; V1039-F1050 HydrophobicContact CG1-CD1 4.15Å; V1039-F1050 HydrophobicContact CG1-CD2 3.75Å; V1039-F1050 HydrophobicContact CG1-CE1 4.16Å; V1039-F1050 HydrophobicContact CG1-CE2 3.77Å; V1039-F1050 HydrophobicContact CG1-CG 3.95Å; V1039-F1050 HydrophobicContact CG1-CZ 3.98Å; V1039-V1065 HydrophobicContact CG1-CG1 4.42Å
1040	S	87.1	Confident	81.8	Confident	27 Å²	27	39.8 Å²	39.8	19%	0.189	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-40.5	177.9	-172.9	0	0	0	0	111.7	L1036 S1037 I1038 T1043 Q1044	L1036-S1040 WeakPolarHBondContact O-CB 3.08Å; L1036-S1040 PolarHBondContact O-N 3.41Å; S1037-S1040 PolarHBondContact O-N 3.37Å; I1038-S1040 PolarHBondContact O-N 3.02Å; S1040-T1043 PolarHBondContact O-N 3.49Å; S1040-Q1044 VanDerWaalsContact O-CG 3.29Å; S1040-Q1044 WeakPolarHBondContact O-CG 3.45Å; S1040-Q1044 PolarHBondContact O-N 2.84Å
1041	R	83	Confident	83.3	Confident	137 Å²	137	40.5 Å²	40.5	52%	0.517	21%	0.208	S	C	.	.	H	α-helix	trans	-69.4	-43.8	-179.9	-173.5	58.6	173.8	-178.8	0.3	112.3	L910 S1037 I1038 V1039 T1043 Q1044 L1045	L910-R1041 HydrophobicContact CD1-CB 4.38Å; L910-R1041 HydrophobicContact CD1-CG 4.39Å; L910-R1041 HydrophobicContact CD2-CB 4.43Å; L910-R1041 HydrophobicContact CD2-CG 4.06Å; S1037-R1041 WeakPolarHBondContact O-CB 3.28Å; S1037-R1041 PolarHBondContact O-N 3.43Å; I1038-R1041 PolarHBondContact O-N 2.88Å; I1038-R1041 VanDerWaalsContact O-N 3.13Å; V1039-R1041 VanDerWaalsContact C-N 3.3Å; V1039-R1041 PolarHBondContact O-N 2.96Å; R1041-T1043 VanDerWaalsContact C-N 3.29Å; R1041-T1043 PolarHBondContact O-N 3.33Å; R1041-Q1044 PolarHBondContact O-N 3.29Å; R1041-L1045 WeakPolarHBondContact O-CG 3.32Å; R1041-L1045 PolarHBondContact O-N 2.87Å
1042	I	88.5	Confident	84.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-44.1	175.4	-62.9	163.9	0	0	0	109.9	L910 L967 M970 L971 I1038 V1039 Q1044 L1045 H1046	L910-I1042 HydrophobicContact CD2-CG1 3.59Å; L910-I1042 HydrophobicContact CG-CG1 4.39Å; L967-I1042 HydrophobicContact CB-CG1 4.45Å; L967-I1042 HydrophobicContact CB-CG2 3.89Å; L967-I1042 HydrophobicContact CD2-CG1 4.45Å; L967-I1042 WeakPolarHBondContact O-CD1 3.18Å; M970-I1042 HydrophobicContact CB-CD1 4.38Å; M970-I1042 HydrophobicContact CE-CD1 3.56Å; M970-I1042 HydrophobicContact CE-CG1 4.13Å; M970-I1042 HydrophobicContact CG-CD1 4.33Å; L971-I1042 HydrophobicContact CB-CB 4.49Å; L971-I1042 HydrophobicContact CB-CD1 3.82Å; L971-I1042 HydrophobicContact CB-CG2 4.16Å; L971-I1042 HydrophobicContact CD1-CB 4Å; L971-I1042 HydrophobicContact CD1-CG2 3.72Å; I1038-I1042 HydrophobicContact CG2-CD1 3.71Å; I1038-I1042 HydrophobicContact CG2-CG1 4.4Å; I1038-I1042 VanDerWaalsContact O-CG1 3.27Å; I1038-I1042 WeakPolarHBondContact O-CG1 3.35Å; I1038-I1042 PolarHBondContact O-N 3.3Å; V1039-I1042 PolarHBondContact O-N 2.85Å; I1042-Q1044 VanDerWaalsContact C-N 3.34Å; I1042-Q1044 PolarHBondContact O-N 2.84Å; I1042-L1045 WeakPolarHBondContact O-CB 2.98Å; I1042-L1045 PolarHBondContact O-N 2.74Å; I1042-H1046 PolarHBondContact O-N 3.4Å; I1042-H1046 VanDerWaalsContact O-N 3.11Å; I1042-H1046 PolarHBondContact O-ND1 3Å
1043	T	89.5	Confident	85.6	Confident	2 Å²	2	42 Å²	42	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-43	179.1	-54.1	0	0	0	0	111.3	V1039 S1040 R1041 H1046 H1047 G1048 Q1049 F1050 V1065	V1039-T1043 WeakPolarHBondContact O-CB 3.18Å; V1039-T1043 PolarHBondContact O-N 2.93Å; V1039-T1043 PolarHBondContact O-OG1 3.48Å; S1040-T1043 PolarHBondContact O-N 3.49Å; R1041-T1043 VanDerWaalsContact C-N 3.29Å; R1041-T1043 PolarHBondContact O-N 3.33Å; T1043-H1046 CarbonylContact O-C 3.54Å; T1043-H1046 PolarHBondContact O-N 2.92Å; T1043-H1047 PolarHBondContact O-N 3.39Å; T1043-G1048 VanDerWaalsContact CG2-C 3.41Å; T1043-G1048 WeakPolarHBondContact O-CA 3.47Å; T1043-G1048 PolarHBondContact O-N 3.32Å; T1043-Q1049 VanDerWaalsContact CG2-C 3.44Å; T1043-F1050 HydrophobicContact CG2-CB 4.03Å; T1043-V1065 HydrophobicContact CG2-CB 4.34Å; T1043-V1065 HydrophobicContact CG2-CG1 4.19Å; T1043-V1065 WeakPolarHBondContact OG1-CG1 3.17Å
1044	Q	85.6	Confident	86.4	Confident	103 Å²	103	43.2 Å²	43.2	48%	0.481	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-42.1	173.6	-75.7	172.1	-4.2	0	0	112.9	S1040 R1041 I1042 H1046 H1047	S1040-Q1044 VanDerWaalsContact O-CG 3.29Å; S1040-Q1044 WeakPolarHBondContact O-CG 3.45Å; S1040-Q1044 PolarHBondContact O-N 2.84Å; R1041-Q1044 PolarHBondContact O-N 3.29Å; I1042-Q1044 VanDerWaalsContact C-N 3.34Å; I1042-Q1044 PolarHBondContact O-N 2.84Å; Q1044-H1046 PolarHBondContact O-N 3.08Å; Q1044-H1047 PolarHBondContact O-N 2.8Å
1045	L	84	Confident	87	Confident	22 Å²	22	45.2 Å²	45.2	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-32.3	177	-73	174.4	0	0	0	111.9	L910 F917 L967 R1041 I1042 H1047	L910-L1045 HydrophobicContact CD2-CD1 3.91Å; F917-L1045 HydrophobicContact CB-CD2 4.3Å; F917-L1045 HydrophobicContact CD1-CB 4.36Å; F917-L1045 WeakPolarHBondContact CD1-O 3.44Å; F917-L1045 HydrophobicContact CD2-CB 4.32Å; F917-L1045 HydrophobicContact CG-CB 4.17Å; L967-L1045 HydrophobicContact CD1-CD1 4.09Å; R1041-L1045 WeakPolarHBondContact O-CG 3.32Å; R1041-L1045 PolarHBondContact O-N 2.87Å; I1042-L1045 WeakPolarHBondContact O-CB 2.98Å; I1042-L1045 PolarHBondContact O-N 2.74Å; L1045-H1047 VanDerWaalsContact C-N 3.27Å; L1045-H1047 PolarHBondContact O-N 3.08Å
1046	H	88.5	Confident	87.1	Confident	7 Å²	7	54 Å²	54	3%	0.032	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	13.9	175.1	-66.6	73.3	0	0	0	113.5	F917 G963 D964 I1042 T1043 Q1044 G1048 L1067	F917-H1046 AromaticContact CE1-CD2 3.86Å; F917-H1046 AromaticContact CE1-CE1 3.89Å; F917-H1046 AromaticContact CE1-CG 3.95Å; F917-H1046 AromaticContact CE1-ND1 3.97Å; F917-H1046 AromaticContact CE1-NE2 3.84Å; F917-H1046 AromaticContact CE2-CE1 3.98Å; F917-H1046 AromaticContact CZ-CD2 3.83Å; F917-H1046 AromaticContact CZ-CE1 3.28Å; F917-H1046 WeakPolarHBondContact CZ-CE1 3.26Å; F917-H1046 AromaticContact CZ-ND1 3.79Å; F917-H1046 AromaticContact CZ-NE2 3.31Å; F917-H1046 VanDerWaalsContact CZ-NE2 3.31Å; F917-H1046 WeakPolarHBondContact CZ-NE2 3.44Å; G963-H1046 WeakPolarHBondContact CA-CD2 3.44Å; G963-H1046 VanDerWaalsContact CA-NE2 3.26Å; G963-H1046 WeakPolarHBondContact CA-NE2 3.25Å; D964-H1046 PolarHBondContact N-NE2 2.85Å; I1042-H1046 PolarHBondContact O-N 3.4Å; I1042-H1046 VanDerWaalsContact O-N 3.11Å; I1042-H1046 PolarHBondContact O-ND1 3Å; T1043-H1046 CarbonylContact O-C 3.54Å; T1043-H1046 PolarHBondContact O-N 2.92Å; Q1044-H1046 PolarHBondContact O-N 3.08Å; H1046-G1048 PolarHBondContact O-N 2.97Å; H1046-G1048 VanDerWaalsContact O-N 3.09Å; H1046-L1067 HydrophobicContact CB-CD2 3.8Å
1047	H	83.9	Confident	86.6	Confident	141 Å²	141	61.6 Å²	61.6	65%	0.653	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	30.9	-175.5	-59	-61.3	0	0	0	114.2	Y922 T1043 Q1044 L1045	Y922-H1047 PolarHBondContact OH-CD2 2.81Å; Y922-H1047 PolarHBondContact OH-NE2 3.32Å; Y922-H1047 VanDerWaalsContact OH-NE2 3.1Å; T1043-H1047 PolarHBondContact O-N 3.39Å; Q1044-H1047 PolarHBondContact O-N 2.8Å; L1045-H1047 VanDerWaalsContact C-N 3.27Å; L1045-H1047 PolarHBondContact O-N 3.08Å
1048	G	86.5	Confident	86.4	Confident	15 Å²	15	63.8 Å²	63.8	16%	0.155	30%	0.303	C	S	.	.			trans	-98.1	-177.3	179.4	0	0	0	0	0	113.5	T1043 H1046 R1066	T1043-G1048 VanDerWaalsContact CG2-C 3.41Å; T1043-G1048 WeakPolarHBondContact O-CA 3.47Å; T1043-G1048 PolarHBondContact O-N 3.32Å; H1046-G1048 PolarHBondContact O-N 2.97Å; H1046-G1048 VanDerWaalsContact O-N 3.09Å; G1048-R1066 CarbonylContact C-O 3.59Å; G1048-R1066 WeakPolarHBondContact CA-O 3.31Å
1049	Q	89.7	Confident	86.4	Confident	112 Å²	112	67.6 Å²	67.6	52%	0.523	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135	174.3	-67	177.4	-17.8	0	0	110.3	T1043 F1051 V1065 R1066	T1043-Q1049 VanDerWaalsContact CG2-C 3.44Å; Q1049-F1051 HydrophobicContact CB-CD2 4.27Å; Q1049-F1051 HydrophobicContact CB-CE2 3.38Å; Q1049-F1051 HydrophobicContact CB-CZ 3.67Å; Q1049-F1051 HydrophobicContact CG-CZ 4.49Å; Q1049-V1065 WeakPolarHBondContact O-CA 3.43Å; Q1049-R1066 PolarHBondContact N-O 3.17Å; Q1049-R1066 PolarHBondContact O-N 3.35Å
1050	F	90.7	Very high	86.4	Confident	39 Å²	39	67.7 Å²	67.7	17%	0.171	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.3	178.8	172.1	-126.4	0	0	0	109.9	L975 L1036 V1039 T1043 L1052 A1063 W1064 V1065	L975-F1050 HydrophobicContact CD2-CE2 4.07Å; L975-F1050 HydrophobicContact CD2-CZ 4.3Å; L1036-F1050 HydrophobicContact CD2-CE1 4.25Å; L1036-F1050 HydrophobicContact CD2-CZ 3.9Å; V1039-F1050 HydrophobicContact CG1-CD1 4.15Å; V1039-F1050 HydrophobicContact CG1-CD2 3.75Å; V1039-F1050 HydrophobicContact CG1-CE1 4.16Å; V1039-F1050 HydrophobicContact CG1-CE2 3.77Å; V1039-F1050 HydrophobicContact CG1-CG 3.95Å; V1039-F1050 HydrophobicContact CG1-CZ 3.98Å; T1043-F1050 HydrophobicContact CG2-CB 4.03Å; F1050-L1052 HydrophobicContact CZ-CB 4.47Å; F1050-L1052 HydrophobicContact CZ-CD1 4.04Å; F1050-A1063 HydrophobicContact CE2-CB 4.23Å; F1050-W1064 WeakPolarHBondContact CD2-O 3.38Å; F1050-V1065 HydrophobicContact CB-CG1 4.21Å; F1050-V1065 HydrophobicContact CD2-CG1 3.66Å; F1050-V1065 HydrophobicContact CG-CG1 4.34Å
1051	F	90.9	Very high	86.6	Confident	69 Å²	69	67.1 Å²	67.1	30%	0.303	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.9	-176.4	-60.9	-85.7	0	0	0	111	Q1049 W1064	Q1049-F1051 HydrophobicContact CB-CD2 4.27Å; Q1049-F1051 HydrophobicContact CB-CE2 3.38Å; Q1049-F1051 HydrophobicContact CB-CZ 3.67Å; Q1049-F1051 HydrophobicContact CG-CZ 4.49Å; F1051-W1064 HydrophobicContact CB-CD2 3.83Å; F1051-W1064 HydrophobicContact CB-CG 4.14Å; F1051-W1064 HydrophobicContact CB-CH2 4.38Å; F1051-W1064 HydrophobicContact CB-CZ2 3.61Å; F1051-W1064 VanDerWaalsContact CB-NE1 3.3Å; F1051-W1064 HydrophobicContact CD1-CH2 4.4Å; F1051-W1064 HydrophobicContact CD1-CZ2 4.02Å; F1051-W1064 AromaticContact CD2-CD2 3.85Å; F1051-W1064 HydrophobicContact CD2-CD2 3.85Å; F1051-W1064 AromaticContact CD2-CE2 3.67Å; F1051-W1064 AromaticContact CD2-CE3 3.69Å; F1051-W1064 HydrophobicContact CD2-CE3 3.69Å; F1051-W1064 AromaticContact CD2-CH2 3.23Å; F1051-W1064 HydrophobicContact CD2-CH2 3.23Å; F1051-W1064 AromaticContact CD2-CZ2 3.37Å; F1051-W1064 HydrophobicContact CD2-CZ2 3.37Å; F1051-W1064 AromaticContact CD2-CZ3 3.42Å; F1051-W1064 HydrophobicContact CD2-CZ3 3.42Å; F1051-W1064 VanDerWaalsContact CD2-CZ3 3.42Å; F1051-W1064 HydrophobicContact CE2-CE3 4.33Å; F1051-W1064 AromaticContact CE2-CH2 3.39Å; F1051-W1064 HydrophobicContact CE2-CH2 3.39Å; F1051-W1064 AromaticContact CE2-CZ2 3.94Å; F1051-W1064 HydrophobicContact CE2-CZ2 3.94Å; F1051-W1064 AromaticContact CE2-CZ3 3.63Å; F1051-W1064 HydrophobicContact CE2-CZ3 3.63Å; F1051-W1064 HydrophobicContact CG-CD2 4.19Å; F1051-W1064 AromaticContact CG-CE2 3.63Å; F1051-W1064 HydrophobicContact CG-CE3 4.47Å; F1051-W1064 AromaticContact CG-CH2 3.78Å; F1051-W1064 HydrophobicContact CG-CH2 3.78Å; F1051-W1064 AromaticContact CG-CZ2 3.39Å; F1051-W1064 HydrophobicContact CG-CZ2 3.39Å; F1051-W1064 HydrophobicContact CG-CZ3 4.31Å; F1051-W1064 HydrophobicContact CZ-CH2 4.06Å; F1051-W1064 HydrophobicContact CZ-CZ2 4.48Å; F1051-W1064 PolarHBondContact N-O 2.98Å; F1051-W1064 PolarHBondContact O-N 3.28Å
1052	L	89.9	Confident	87.1	Confident	31 Å²	31	63.1 Å²	63.1	16%	0.162	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	119.9	-179.6	-162	80	0	0	0	107.7	I1010 C1015 L1018 L1036 F1050 T1061 A1063	I1010-L1052 HydrophobicContact CD1-CB 4.18Å; I1010-L1052 HydrophobicContact CD1-CD2 3.21Å; I1010-L1052 HydrophobicContact CD1-CG 3.37Å; C1015-L1052 PolarHBondContact SG-O 3.29Å; L1018-L1052 HydrophobicContact CB-CD2 4.49Å; L1018-L1052 HydrophobicContact CD1-CD2 3.98Å; L1036-L1052 HydrophobicContact CD1-CD2 4.4Å; F1050-L1052 HydrophobicContact CZ-CB 4.47Å; F1050-L1052 HydrophobicContact CZ-CD1 4.04Å; L1052-T1061 HydrophobicContact CD1-CG2 3.82Å; L1052-T1061 HydrophobicContact CG-CG2 3.96Å; L1052-A1063 HydrophobicContact CD1-CB 3.62Å
1053	Q	90.6	Very high	87.3	Confident	72 Å²	72	63.7 Å²	63.7	34%	0.336	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155.7	-176.8	66	-172.3	7.9	0	0	110.6	T1061 R1062	Q1053-T1061 WeakPolarHBondContact O-CG2 3.47Å; Q1053-R1062 HydrophobicContact CG-CB 4.09Å; Q1053-R1062 PolarHBondContact N-O 3.42Å; Q1053-R1062 VanDerWaalsContact N-O 3.14Å; Q1053-R1062 PolarHBondContact O-N 2.95Å
1054	N	90.4	Very high	87.5	Confident	46 Å²	46	65 Å²	65	25%	0.246	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	149.8	171.1	-67.9	-38.3	0	0	0	111	G1009 I1010 E1012	G1009-N1054 WeakPolarHBondContact CA-OD1 3.2Å; I1010-N1054 WeakPolarHBondContact CG1-OD1 3.28Å; I1010-N1054 PolarHBondContact N-OD1 2.73Å; I1010-N1054 PolarHBondContact O-ND2 2.84Å; E1012-N1054 VanDerWaalsContact OE1-CB 3.3Å; E1012-N1054 WeakPolarHBondContact OE1-CB 3.24Å; E1012-N1054 PolarHBondContact OE1-N 3.04Å; E1012-N1054 PolarHBondContact OE1-ND2 3.49Å
1055	R	88.7	Confident	87.8	Confident	56 Å²	56	60 Å²	60	21%	0.211	30%	0.297	C	S	.	.			trans	-70.4	133.2	171.7	-66.9	174.1	69.3	-174.2	-2.4	108.3	E1004 D1005 T1058 G1060 R1062	E1004-R1055 IonicContact OE2-CZ 3.94Å; E1004-R1055 IonicContact OE2-NE 3.92Å; E1004-R1055 IonicContact OE2-NH2 2.94Å; D1005-R1055 VanDerWaalsContact O-CD 3.26Å; D1005-R1055 WeakPolarHBondContact O-CD 3.44Å; D1005-R1055 PolarHBondContact O-NH1 3.39Å; R1055-T1058 VanDerWaalsContact CB-O 3.27Å; R1055-T1058 WeakPolarHBondContact CB-O 3.32Å; R1055-T1058 PolarHBondContact NE-OG1 3.12Å; R1055-T1058 VanDerWaalsContact NE-OG1 3.12Å; R1055-T1058 PolarHBondContact NH2-OG1 3.49Å; R1055-G1060 PolarHBondContact N-O 2.79Å; R1055-R1062 HydrophobicContact CG-CB 4.21Å
1056	Q	80.2	Confident	88.2	Confident	200 Å²	200	62.3 Å²	62.3	94%	0.935	30%	0.304	S	S	*	.	S	Bend	trans	-77.9	-33.2	-176.2	-69.3	-175.2	-13.8	0	0	113.2
1057	E	75	Confident	88.2	Confident	190 Å²	190	62.2 Å²	62.2	89%	0.888	30%	0.304	S	S	*	.	S	Bend	trans	-97.2	-22.4	-172.4	-64.2	-178.3	172.5	0	0	114
1058	T	79.4	Confident	88.3	Confident	68 Å²	68	62.6 Å²	62.6	42%	0.417	30%	0.304	S	S	.	.	S	Bend	trans	-140.9	161.4	-176.8	59	0	0	0	0	110	R1055	R1055-T1058 VanDerWaalsContact CB-O 3.27Å; R1055-T1058 WeakPolarHBondContact CB-O 3.32Å; R1055-T1058 PolarHBondContact NE-OG1 3.12Å; R1055-T1058 VanDerWaalsContact NE-OG1 3.12Å; R1055-T1058 PolarHBondContact NH2-OG1 3.49Å
1059	S	84.2	Confident	88	Confident	82 Å²	82	65.9 Å²	65.9	57%	0.573	31%	0.314	S	S	*	.	S	Bend	trans	-62.7	145.3	170.8	56.5	0	0	0	0	111.2	E1006 G1007	E1006-S1059 WeakPolarHBondContact CA-O 3.16Å; G1007-S1059 CarbonylContact O-C 3.2Å
1060	G	88.7	Confident	87.1	Confident	3 Å²	3	61 Å²	61	3%	0.031	29%	0.291	C	S	.	.	S	Bend	trans	129.6	177.4	175.3	0	0	0	0	0	113.8	D1005 G1007 R1055	D1005-G1060 WeakPolarHBondContact O-CA 3.47Å; G1007-G1060 WeakPolarHBondContact O-CA 3.29Å; G1007-G1060 PolarHBondContact O-N 2.87Å; R1055-G1060 PolarHBondContact N-O 2.79Å
1061	T	91.4	Very high	85.7	Confident	14 Å²	14	66.6 Å²	66.6	9%	0.086	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.4	-179.5	-60	0	0	0	0	109.7	D1005 G1009 I1010 L1052 Q1053	D1005-T1061 PolarHBondContact N-O 2.86Å; D1005-T1061 VanDerWaalsContact N-O 3.08Å; D1005-T1061 WeakPolarHBondContact OD1-CA 2.99Å; D1005-T1061 VanDerWaalsContact OD1-CB 3.31Å; D1005-T1061 WeakPolarHBondContact OD1-CB 3.21Å; D1005-T1061 PolarHBondContact OD1-N 3.34Å; G1009-T1061 WeakPolarHBondContact CA-OG1 3.39Å; I1010-T1061 HydrophobicContact CD1-CG2 4Å; I1010-T1061 HydrophobicContact CG1-CG2 4.21Å; I1010-T1061 HydrophobicContact CG2-CG2 4.34Å; L1052-T1061 HydrophobicContact CD1-CG2 3.82Å; L1052-T1061 HydrophobicContact CG-CG2 3.96Å; Q1053-T1061 WeakPolarHBondContact O-CG2 3.47Å
1062	R	92.8	Very high	83.8	Confident	54 Å²	54	72 Å²	72	20%	0.204	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.2	169.4	-177.7	173.2	178.4	-160.3	2.8	108.1	A1002 E1004 Q1053 R1055	A1002-R1062 HydrophobicContact CB-CG 4.44Å; E1004-R1062 HydrophobicContact CG-CB 3.99Å; E1004-R1062 HydrophobicContact CG-CG 3.71Å; E1004-R1062 WeakPolarHBondContact OE1-CD 3.29Å; E1004-R1062 IonicContact OE1-NE 3.33Å; E1004-R1062 PolarHBondContact OE1-NE 3.36Å; Q1053-R1062 HydrophobicContact CG-CB 4.09Å; Q1053-R1062 PolarHBondContact N-O 3.42Å; Q1053-R1062 VanDerWaalsContact N-O 3.14Å; Q1053-R1062 PolarHBondContact O-N 2.95Å; R1055-R1062 HydrophobicContact CG-CB 4.21Å
1063	A	92.8	Very high	81.7	Confident	11 Å²	11	73.8 Å²	73.8	9%	0.091	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.9	172.1	0	0	0	0	0	108.7	L975 A1002 V1003 F1050 L1052	L975-A1063 HydrophobicContact CD2-CB 3.72Å; A1002-A1063 CarbonylContact C-O 3.5Å; A1002-A1063 WeakPolarHBondContact CA-O 3.29Å; V1003-A1063 PolarHBondContact N-O 3.23Å; V1003-A1063 PolarHBondContact O-N 2.88Å; F1050-A1063 HydrophobicContact CE2-CB 4.23Å; L1052-A1063 HydrophobicContact CD1-CB 3.62Å
1064	W	92.7	Very high	79.3	Confident	29 Å²	29	74 Å²	74	11%	0.11	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.7	-174.7	63.9	-79.9	0	0	0	112.9	V1000 M1001 A1002 F1050 F1051 R1066	V1000-W1064 HydrophobicContact CG1-CB 4.41Å; V1000-W1064 HydrophobicContact CG1-CD2 4.46Å; V1000-W1064 HydrophobicContact CG1-CE3 3.76Å; V1000-W1064 HydrophobicContact CG1-CZ3 4.45Å; V1000-W1064 HydrophobicContact CG2-CE3 4.46Å; V1000-W1064 HydrophobicContact CG2-CZ3 4.42Å; M1001-W1064 WeakPolarHBondContact O-CA 3.39Å; A1002-W1064 HydrophobicContact CB-CB 3.56Å; F1050-W1064 WeakPolarHBondContact CD2-O 3.38Å; F1051-W1064 HydrophobicContact CB-CD2 3.83Å; F1051-W1064 HydrophobicContact CB-CG 4.14Å; F1051-W1064 HydrophobicContact CB-CH2 4.38Å; F1051-W1064 HydrophobicContact CB-CZ2 3.61Å; F1051-W1064 VanDerWaalsContact CB-NE1 3.3Å; F1051-W1064 HydrophobicContact CD1-CH2 4.4Å; F1051-W1064 HydrophobicContact CD1-CZ2 4.02Å; F1051-W1064 AromaticContact CD2-CD2 3.85Å; F1051-W1064 HydrophobicContact CD2-CD2 3.85Å; F1051-W1064 AromaticContact CD2-CE2 3.67Å; F1051-W1064 AromaticContact CD2-CE3 3.69Å; F1051-W1064 HydrophobicContact CD2-CE3 3.69Å; F1051-W1064 AromaticContact CD2-CH2 3.23Å; F1051-W1064 HydrophobicContact CD2-CH2 3.23Å; F1051-W1064 AromaticContact CD2-CZ2 3.37Å; F1051-W1064 HydrophobicContact CD2-CZ2 3.37Å; F1051-W1064 AromaticContact CD2-CZ3 3.42Å; F1051-W1064 HydrophobicContact CD2-CZ3 3.42Å; F1051-W1064 VanDerWaalsContact CD2-CZ3 3.42Å; F1051-W1064 HydrophobicContact CE2-CE3 4.33Å; F1051-W1064 AromaticContact CE2-CH2 3.39Å; F1051-W1064 HydrophobicContact CE2-CH2 3.39Å; F1051-W1064 AromaticContact CE2-CZ2 3.94Å; F1051-W1064 HydrophobicContact CE2-CZ2 3.94Å; F1051-W1064 AromaticContact CE2-CZ3 3.63Å; F1051-W1064 HydrophobicContact CE2-CZ3 3.63Å; F1051-W1064 HydrophobicContact CG-CD2 4.19Å; F1051-W1064 AromaticContact CG-CE2 3.63Å; F1051-W1064 HydrophobicContact CG-CE3 4.47Å; F1051-W1064 AromaticContact CG-CH2 3.78Å; F1051-W1064 HydrophobicContact CG-CH2 3.78Å; F1051-W1064 AromaticContact CG-CZ2 3.39Å; F1051-W1064 HydrophobicContact CG-CZ2 3.39Å; F1051-W1064 HydrophobicContact CG-CZ3 4.31Å; F1051-W1064 HydrophobicContact CZ-CH2 4.06Å; F1051-W1064 HydrophobicContact CZ-CZ2 4.48Å; F1051-W1064 PolarHBondContact N-O 2.98Å; F1051-W1064 PolarHBondContact O-N 3.28Å; W1064-R1066 HydrophobicContact CE3-CB 4.46Å; W1064-R1066 HydrophobicContact CZ3-CB 3.97Å
1065	V	92.9	Very high	76.8	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.3	176.5	-65.2	0	0	0	0	109.5	L971 V1000 M1001 V1039 T1043 Q1049 F1050 L1067	L971-V1065 HydrophobicContact CD1-CG1 4.18Å; L971-V1065 HydrophobicContact CD2-CG1 4.2Å; L971-V1065 HydrophobicContact CD2-CG2 4.19Å; V1000-V1065 WeakPolarHBondContact CA-O 3.46Å; M1001-V1065 HydrophobicContact CB-CG2 3.97Å; M1001-V1065 HydrophobicContact CE-CG2 4.15Å; M1001-V1065 PolarHBondContact N-O 2.98Å; M1001-V1065 PolarHBondContact O-N 3.32Å; V1039-V1065 HydrophobicContact CG1-CG1 4.42Å; T1043-V1065 HydrophobicContact CG2-CB 4.34Å; T1043-V1065 HydrophobicContact CG2-CG1 4.19Å; T1043-V1065 WeakPolarHBondContact OG1-CG1 3.17Å; Q1049-V1065 WeakPolarHBondContact O-CA 3.43Å; F1050-V1065 HydrophobicContact CB-CG1 4.21Å; F1050-V1065 HydrophobicContact CD2-CG1 3.66Å; F1050-V1065 HydrophobicContact CG-CG1 4.34Å; V1065-L1067 HydrophobicContact CG2-CG 4.38Å
1066	R	91.6	Very high	74.2	Confident	70 Å²	70	85 Å²	85	26%	0.264	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.3	169.1	-174	178.5	-76.3	148.5	-7.6	108.4	D996 V1000 G1048 Q1049 W1064	D996-R1066 IonicContact OD2-CZ 3.77Å; D996-R1066 IonicContact OD2-NH2 2.75Å; D996-R1066 PolarHBondContact OD2-NH2 2.63Å; V1000-R1066 HydrophobicContact CG2-CB 4.29Å; V1000-R1066 HydrophobicContact CG2-CG 4.14Å; G1048-R1066 CarbonylContact C-O 3.59Å; G1048-R1066 WeakPolarHBondContact CA-O 3.31Å; Q1049-R1066 PolarHBondContact N-O 3.17Å; Q1049-R1066 PolarHBondContact O-N 3.35Å; W1064-R1066 HydrophobicContact CE3-CB 4.46Å; W1064-R1066 HydrophobicContact CZ3-CB 3.97Å
1067	L	90.2	Very high	71.9	Confident	4 Å²	4	85.5 Å²	85.5	2%	0.021	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	148.4	177.9	-57.5	176.6	0	0	0	109.6	L927 V961 L968 G998 A999 H1046 V1065 K1069	L927-L1067 HydrophobicContact CD2-CD1 4.24Å; V961-L1067 HydrophobicContact CG1-CB 3.97Å; V961-L1067 HydrophobicContact CG1-CD1 4.37Å; V961-L1067 HydrophobicContact CG2-CD1 4.31Å; L968-L1067 HydrophobicContact CD2-CD1 3.67Å; G998-L1067 WeakPolarHBondContact CA-O 3.43Å; A999-L1067 HydrophobicContact CB-CB 4.44Å; A999-L1067 PolarHBondContact N-O 2.97Å; A999-L1067 PolarHBondContact O-N 3.5Å; H1046-L1067 HydrophobicContact CB-CD2 3.8Å; V1065-L1067 HydrophobicContact CG2-CG 4.38Å; L1067-K1069 PolarHBondContact O-N 3.04Å
1068	K	85.3	Confident	71.8	Confident	149 Å²	149	80.3 Å²	80.3	65%	0.648	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-70.4	127.3	176.7	-167.7	176.7	-179.9	-178.2	0	109.6
1069	K	78.8	Confident	71.4	Confident	84 Å²	84	80.9 Å²	80.9	37%	0.365	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-66.1	140.1	173.9	-171.9	176.3	-178.2	176.5	0	109.5	I959 E995 L1067 Q1071	I959-K1069 HydrophobicContact CG2-CG 4.47Å; E995-K1069 WeakPolarHBondContact OE1-CD 3.32Å; E995-K1069 IonicContact OE1-NZ 3.2Å; E995-K1069 PolarHBondContact OE1-NZ 3Å; E995-K1069 IonicContact OE2-NZ 3.86Å; E995-K1069 PolarHBondContact OE2-NZ 2.8Å; L1067-K1069 PolarHBondContact O-N 3.04Å; K1069-Q1071 PolarHBondContact O-N 3.48Å
1070	D	71.9	Confident	70.6	Confident	10 Å²	10	80.8 Å²	80.8	5%	0.053	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-71.6	119.7	171.2	-178.8	30.6	0	0	0	110.7	H924 T960 Q962 Y1072 V1073	H924-D1070 IonicContact CE1-OD2 3.42Å; H924-D1070 PolarHBondContact CE1-OD2 3.1Å; H924-D1070 IonicContact CG-OD2 2.74Å; H924-D1070 IonicContact ND1-OD2 3.47Å; H924-D1070 PolarHBondContact ND1-OD2 2.93Å; T960-D1070 HydrophobicContact CG2-CB 4.48Å; T960-D1070 PolarHBondContact O-N 3.48Å; Q962-D1070 HydrophobicContact CG-CB 3.64Å; Q962-D1070 WeakPolarHBondContact CG-OD1 3.38Å; Q962-D1070 PolarHBondContact NE2-OD1 2.96Å; D1070-Y1072 PolarHBondContact OD1-N 3.19Å; D1070-V1073 WeakPolarHBondContact OD2-CG2 3.15Å
1071	Q	61	Low	69.6	Low	156 Å²	156	85.4 Å²	85.4	73%	0.729	42%	0.416	S	S	*	.	S	Bend	trans	-85.7	-10.7	-179.7	-70.1	-173.8	-19.3	0	0	112.9	K1069	K1069-Q1071 PolarHBondContact O-N 3.48Å
1072	Y	51.4	Low	68.2	Low	184 Å²	184	89.9 Å²	89.9	72%	0.722	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-77.5	-19.8	-174.9	-103.4	-86.9	0	0	0	114.8	D1070 A1074	D1070-Y1072 PolarHBondContact OD1-N 3.19Å; Y1072-A1074 VanDerWaalsContact C-N 3.27Å; Y1072-A1074 PolarHBondContact O-N 3.48Å
1073	V	45	Very low	66.6	Low	68 Å²	68	92.3 Å²	92.3	41%	0.412	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-73.4	-17.7	178	-178	0	0	0	0	112.6	T960 D1070 N1075	T960-V1073 HydrophobicContact CG2-CG2 4.5Å; D1070-V1073 WeakPolarHBondContact OD2-CG2 3.15Å; V1073-N1075 PolarHBondContact O-N 3.44Å
1074	A	41.1	Very low	64.7	Low	77 Å²	77	98.1 Å²	98.1	64%	0.636	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-71.4	-12.3	179	0	0	0	0	0	114.5	Y1072	Y1072-A1074 VanDerWaalsContact C-N 3.27Å; Y1072-A1074 PolarHBondContact O-N 3.48Å
1075	N	37.7	Very low	62.5	Low	144 Å²	144	103.4 Å²	103.4	77%	0.77	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-109.2	9.9	-179	-79	-16.1	0	0	0	114.5	V1073	V1073-N1075 PolarHBondContact O-N 3.44Å
1076	Q	33.6	Very low	60	Low	188 Å²	188	112 Å²	112	88%	0.879	55%	0.548	S	S	*	.			trans	-125.3	19.3	173.3	-81.3	-165.6	-4.5	0	0	114.8
1077	I	32.6	Very low	57.1	Low	210 Å²	210	115.8 Å²	115.8	100%	1.077	57%	0.574	S	S	*	*			trans	-98.5	0	151.9	-56.9	175.3	0	0	0	106.5

Retrieved 1,077 of 1,077 residues in 516.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).