A0A087YJN8_POEFO Loading...

Choline transporter-like protein

Choline transporter. Choline/H+ antiporter.

AlphaFold DB , UniProt , Accession A0A087YJN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 724 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	35.8	Very low	253 Å²	253	138.5 Å²	138.5	100%	1.246	76%	0.763	S	S	*	*				0	89.1	0	-73.3	178.1	176.9	0	0	108.6
2	A	29.4	Very low	36.3	Very low	102 Å²	102	134.3 Å²	134.3	84%	0.843	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-102.5	127	178.6	0	0	0	0	0	109
3	R	28.3	Very low	37	Very low	241 Å²	241	141.8 Å²	141.8	91%	0.909	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-68	129.1	-173.6	-108.3	172.2	-175.5	153.6	2.7	111.3	T5	R3-T5 PolarHBondContact O-N 3.24Å
4	N	37.5	Very low	38.3	Very low	137 Å²	137	137.1 Å²	137.1	73%	0.733	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-56.6	121	158.9	-75.2	-10.5	0	0	0	109.6
5	T	33.5	Very low	39.7	Very low	129 Å²	129	130.4 Å²	130.4	79%	0.791	71%	0.707	S	S	*	*			trans	-103.3	82.3	159.3	51.1	0	0	0	0	107.5	R3 T7	R3-T5 PolarHBondContact O-N 3.24Å; T5-T7 PolarHBondContact O-N 3.41Å
6	D	38	Very low	41.6	Very low	136 Å²	136	131.6 Å²	131.6	73%	0.727	71%	0.706	S	S	*	*			trans	-72.2	106.4	163.8	-69.9	-46.4	0	0	0	107.6
7	T	35.3	Very low	43.3	Very low	127 Å²	127	128.7 Å²	128.7	78%	0.779	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-70.6	126.2	159.8	39.3	0	0	0	0	107.6	T5 S9	T5-T7 PolarHBondContact O-N 3.41Å; T7-S9 PolarHBondContact O-N 3.2Å; T7-S9 VanDerWaalsContact O-N 3.11Å
8	P	35.3	Very low	45.2	Very low	124 Å²	124	124 Å²	124	81%	0.805	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-66.2	118.4	-179.4	19.1	-22.5	0	0	0	109.6
9	S	37.6	Very low	47.1	Very low	83 Å²	83	126.3 Å²	126.3	58%	0.58	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-61.2	130.8	170.5	179.8	0	0	0	0	109.4	T7 Y11	T7-S9 PolarHBondContact O-N 3.2Å; T7-S9 VanDerWaalsContact O-N 3.11Å; S9-Y11 PolarHBondContact O-N 2.89Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.5Å
10	P	40.8	Very low	48.7	Very low	87 Å²	87	123.6 Å²	123.6	57%	0.565	66%	0.655	S	S	*	*			trans	-84.2	13.4	-173.7	33.4	-33.3	0	0	0	113.5
11	Y	44.2	Very low	50.1	Low	105 Å²	105	121.5 Å²	121.5	41%	0.412	64%	0.644	S	S	.	*	S	Bend	trans	-92.4	138.8	179.1	-62	-70.8	0	0	0	110.6	S9 Y13	S9-Y11 PolarHBondContact O-N 2.89Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.5Å; Y11-Y13 PolarHBondContact O-N 3.12Å
12	P	41.9	Very low	51.9	Low	87 Å²	87	113.4 Å²	113.4	57%	0.565	61%	0.611	S	S	*	*			trans	-56	132.7	173.9	21.9	-29.6	0	0	0	109.6	H14	P12-H14 VanDerWaalsContact C-N 3.33Å; P12-H14 PolarHBondContact O-CD2 2.81Å; P12-H14 PolarHBondContact O-N 2.87Å
13	Y	45.2	Very low	54.2	Low	233 Å²	233	114.6 Å²	114.6	91%	0.914	60%	0.603	S	S	*	*			trans	-59.4	89.7	-179.9	-93.9	-95	0	0	0	110.4	Y11	Y11-Y13 PolarHBondContact O-N 3.12Å
14	H	55.9	Low	56.8	Low	75 Å²	75	104.8 Å²	104.8	35%	0.347	57%	0.567	S	S	.	*			trans	-110.6	95.2	172	-68.3	-56.7	0	0	0	109	P12 R590	P12-H14 VanDerWaalsContact C-N 3.33Å; P12-H14 PolarHBondContact O-CD2 2.81Å; P12-H14 PolarHBondContact O-N 2.87Å; H14-R590 PolarHBondContact O-NE 3.38Å; H14-R590 PolarHBondContact O-NH2 3.34Å
15	G	59.2	Low	58.6	Low	37 Å²	37	106.1 Å²	106.1	38%	0.381	56%	0.562	S	S	.	*	S	Bend	trans	75	175.6	175.3	0	0	0	0	0	115.8	R590	G15-R590 PolarHBondContact O-NH2 3.39Å
16	E	69.8	Low	60.9	Low	149 Å²	149	100.1 Å²	100.1	70%	0.696	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-86.6	146.5	173.4	-68.9	-171.1	179.7	0	0	112	R590	E16-R590 PolarHBondContact O-NH1 3.35Å; E16-R590 PolarHBondContact O-NH2 3.33Å
17	P	71.3	Confident	63.1	Low	83 Å²	83	94.1 Å²	94.1	54%	0.539	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-68.1	148.5	173.7	27.9	-33.1	0	0	0	112.9	K19 R590 E680	P17-K19 PolarHBondContact O-N 3.36Å; P17-R590 VanDerWaalsContact CA-NH1 3.29Å; P17-E680 HydrophobicContact CB-CG 4.08Å
18	I	77.9	Confident	65.4	Low	44 Å²	44	90.6 Å²	90.6	23%	0.226	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-61.6	127.4	176.1	-61	167.8	0	0	0	109.2	M569 L587 C677 E680 V681	I18-M569 HydrophobicContact CD1-CE 4.5Å; I18-L587 HydrophobicContact CD1-CD2 4.47Å; I18-C677 HydrophobicContact CD1-CB 4.41Å; I18-E680 WeakPolarHBondContact CD1-OE2 3.41Å; I18-E680 VanDerWaalsContact CG1-OE2 3.26Å; I18-E680 WeakPolarHBondContact CG1-OE2 3.34Å; I18-E680 PolarHBondContact N-OE2 3.01Å; I18-E680 VanDerWaalsContact N-OE2 3.16Å; I18-V681 HydrophobicContact CB-CG2 3.76Å; I18-V681 HydrophobicContact CG2-CG2 3.51Å
19	K	79.6	Confident	67.5	Low	167 Å²	167	90.2 Å²	90.2	73%	0.726	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-77.5	140.5	-179.8	-63.9	-179.1	-176.8	175.3	0	110.8	P17 D21	P17-K19 PolarHBondContact O-N 3.36Å; K19-D21 PolarHBondContact O-N 3.26Å
20	F	79.4	Confident	69.5	Low	72 Å²	72	93.6 Å²	93.6	32%	0.316	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-69.9	124.7	176.8	175.8	-93.9	0	0	0	111.6	P22 V681 N682 K688	F20-P22 HydrophobicContact CE1-CB 3.85Å; F20-P22 HydrophobicContact CE1-CG 4.42Å; F20-P22 HydrophobicContact CZ-CB 4.28Å; F20-V681 HydrophobicContact CB-CG1 4Å; F20-V681 HydrophobicContact CD2-CG1 3.54Å; F20-V681 HydrophobicContact CE2-CG1 4.48Å; F20-V681 HydrophobicContact CG-CG1 4.21Å; F20-N682 WeakPolarHBondContact CE2-OD1 3.32Å; F20-K688 HydrophobicContact CD1-CD 4.34Å; F20-K688 HydrophobicContact CD2-CD 3.73Å; F20-K688 HydrophobicContact CD2-CG 4Å; F20-K688 HydrophobicContact CE1-CD 4.45Å; F20-K688 HydrophobicContact CE1-CG 4.22Å; F20-K688 HydrophobicContact CE2-CB 4.08Å; F20-K688 HydrophobicContact CE2-CD 3.92Å; F20-K688 HydrophobicContact CE2-CG 3.62Å; F20-K688 HydrophobicContact CG-CD 3.99Å; F20-K688 HydrophobicContact CG-CG 4.5Å; F20-K688 HydrophobicContact CZ-CD 4.27Å; F20-K688 HydrophobicContact CZ-CG 3.74Å
21	D	78.6	Confident	71.7	Confident	80 Å²	80	90.8 Å²	90.8	43%	0.428	45%	0.449	S	S	.	.			trans	-113.8	114.1	170.8	176.8	3.4	0	0	0	109.8	K19 N23 F24	K19-D21 PolarHBondContact O-N 3.26Å; D21-N23 PolarHBondContact O-N 3.15Å; D21-N23 WeakPolarHBondContact OD1-CB 3.49Å; D21-N23 PolarHBondContact OD1-N 3.24Å; D21-F24 HydrophobicContact CB-CB 4.15Å; D21-F24 WeakPolarHBondContact O-CB 3.43Å; D21-F24 PolarHBondContact O-N 2.97Å; D21-F24 VanDerWaalsContact O-N 3.15Å
22	P	72	Confident	73.8	Confident	83 Å²	83	94.4 Å²	94.4	54%	0.539	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.5	-179.5	25.5	-33.5	0	0	0	114	F20	F20-P22 HydrophobicContact CE1-CB 3.85Å; F20-P22 HydrophobicContact CE1-CG 4.42Å; F20-P22 HydrophobicContact CZ-CB 4.28Å
23	N	76.9	Confident	76.2	Confident	127 Å²	127	94 Å²	94	68%	0.679	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.5	-179.9	-66.7	-38.3	0	0	0	113	D21 R25	D21-N23 PolarHBondContact O-N 3.15Å; D21-N23 WeakPolarHBondContact OD1-CB 3.49Å; D21-N23 PolarHBondContact OD1-N 3.24Å; N23-R25 PolarHBondContact O-N 3.15Å
24	F	82.1	Confident	78.5	Confident	36 Å²	36	83.6 Å²	83.6	16%	0.158	43%	0.426	C	S	.	.			trans	-67.5	121.1	178.7	-172.2	-106.5	0	0	0	110.9	D21 G26 V28 W481 I572 Y573	D21-F24 HydrophobicContact CB-CB 4.15Å; D21-F24 WeakPolarHBondContact O-CB 3.43Å; D21-F24 PolarHBondContact O-N 2.97Å; D21-F24 VanDerWaalsContact O-N 3.15Å; F24-G26 WeakPolarHBondContact CE2-O 3.47Å; F24-G26 WeakPolarHBondContact CZ-O 3.35Å; F24-V28 HydrophobicContact CE2-CG2 4.37Å; F24-W481 HydrophobicContact CD1-CD2 4.43Å; F24-W481 HydrophobicContact CD1-CE3 4.26Å; F24-W481 HydrophobicContact CD1-CZ3 4.37Å; F24-W481 AromaticContact CE1-CD2 3.71Å; F24-W481 HydrophobicContact CE1-CD2 3.71Å; F24-W481 AromaticContact CE1-CE2 3.67Å; F24-W481 AromaticContact CE1-CE3 3.95Å; F24-W481 HydrophobicContact CE1-CE3 3.95Å; F24-W481 HydrophobicContact CE1-CG 4.24Å; F24-W481 HydrophobicContact CE1-CH2 4.14Å; F24-W481 AromaticContact CE1-CZ2 3.91Å; F24-W481 HydrophobicContact CE1-CZ2 3.91Å; F24-W481 HydrophobicContact CE1-CZ3 4.16Å; F24-I572 HydrophobicContact CE2-CG2 4.34Å; F24-I572 HydrophobicContact CZ-CG2 3.68Å; F24-Y573 HydrophobicContact CE2-CD1 4.29Å; F24-Y573 HydrophobicContact CE2-CE1 4Å; F24-Y573 HydrophobicContact CZ-CE1 4.18Å
25	R	76.8	Confident	80.4	Confident	165 Å²	165	82 Å²	82	62%	0.623	42%	0.42	S	S	*	.			trans	-120.7	21.2	-179.6	-63.3	-64.6	-166	-132.7	-1.7	112.2	N23	N23-R25 PolarHBondContact O-N 3.15Å
26	G	81.9	Confident	82.1	Confident	3 Å²	3	83.9 Å²	83.9	3%	0.031	42%	0.424	C	S	.	.	S	Bend	trans	100.9	-147.8	-174.2	0	0	0	0	0	112.4	F24 V28 W481	F24-G26 WeakPolarHBondContact CE2-O 3.47Å; F24-G26 WeakPolarHBondContact CZ-O 3.35Å; G26-V28 PolarHBondContact O-N 3.12Å; G26-V28 VanDerWaalsContact O-N 3.11Å; G26-W481 VanDerWaalsContact CA-CB 3.43Å
27	P	83.8	Confident	83.3	Confident	10 Å²	10	83 Å²	83	7%	0.065	42%	0.423	C	S	.	.	S	Bend	trans	-50.6	118.7	-173.8	-31.7	39	0	0	0	113.3	Q29 A477 I572	P27-Q29 PolarHBondContact O-N 3.41Å; P27-A477 HydrophobicContact CG-CB 3.71Å; P27-I572 WeakPolarHBondContact CA-O 3.47Å
28	V	83.4	Confident	84.5	Confident	52 Å²	52	80.5 Å²	80.5	32%	0.315	41%	0.407	S	S	.	.			trans	-59	130.9	-176.5	180	0	0	0	0	109.7	F24 G26 N30 R31 I572	F24-V28 HydrophobicContact CE2-CG2 4.37Å; G26-V28 PolarHBondContact O-N 3.12Å; G26-V28 VanDerWaalsContact O-N 3.11Å; V28-N30 WeakPolarHBondContact CG1-O 3.35Å; V28-R31 PolarHBondContact O-NE 3.44Å; V28-R31 PolarHBondContact O-NH2 3.19Å; V28-I572 PolarHBondContact N-O 2.66Å
29	Q	78.4	Confident	85.3	Confident	117 Å²	117	79.8 Å²	79.8	55%	0.547	41%	0.406	S	S	.	.	S	Bend	trans	-87.3	-43.9	-177.1	-62.2	-68.1	2.1	0	0	112.4	P27 R31 R500	P27-Q29 PolarHBondContact O-N 3.41Å; Q29-R31 PolarHBondContact O-N 3.04Å; Q29-R500 VanDerWaalsContact CD-NH1 3.33Å
30	N	80.3	Confident	86.2	Confident	154 Å²	154	76.2 Å²	76.2	82%	0.824	39%	0.393	S	S	*	.	S	Bend	trans	-84.2	104.9	179	-69.7	-20.9	0	0	0	110	V28	V28-N30 WeakPolarHBondContact CG1-O 3.35Å
31	R	87.1	Confident	87	Confident	27 Å²	27	76.7 Å²	76.7	10%	0.102	40%	0.398	C	S	.	.			trans	-121.5	157	-175.6	-57.3	-167.8	-176	-144.6	-11.2	112.2	V28 Q29 Y504 H505 I570 A571 I572 G574	V28-R31 PolarHBondContact O-NE 3.44Å; V28-R31 PolarHBondContact O-NH2 3.19Å; Q29-R31 PolarHBondContact O-N 3.04Å; R31-Y504 HydrophobicContact CB-CD1 4.18Å; R31-Y504 HydrophobicContact CB-CD2 4.15Å; R31-Y504 HydrophobicContact CB-CG 3.94Å; R31-Y504 WeakPolarHBondContact O-CE1 3.31Å; R31-H505 WeakPolarHBondContact CD-NE2 3.24Å; R31-H505 PolarHBondContact NH1-NE2 3.15Å; R31-I570 PolarHBondContact NH1-O 3.02Å; R31-A571 PolarHBondContact NH2-O 2.99Å; R31-I572 PolarHBondContact NH2-O 3.43Å; R31-G574 VanDerWaalsContact NH1-CA 3.28Å
32	K	89.3	Confident	87.9	Confident	181 Å²	181	73.2 Å²	73.2	79%	0.787	38%	0.379	S	S	*	.			trans	-106.6	153.3	167.7	-61	-174.1	-178.3	-176.4	0	108.8
33	C	92.4	Very high	89.1	Confident	78 Å²	78	73.7 Å²	73.7	53%	0.527	38%	0.377	S	S	.	.			trans	-62.3	136.8	174.4	-60	0	0	0	0	110.3	V36 Y504	C33-V36 HydrophobicContact CB-CG2 3.96Å; C33-Y504 CarbonylContact C-O 3.54Å; C33-Y504 WeakPolarHBondContact CA-O 3.43Å
34	T	92.9	Very high	90	Very high	15 Å²	15	72.8 Å²	72.8	9%	0.092	37%	0.371	C	S	.	.			trans	-111.4	144.6	-178	56.4	0	0	0	0	111.2	V36 Y504 H505 S508	T34-V36 VanDerWaalsContact C-N 3.33Å; T34-V36 PolarHBondContact O-N 3.08Å; T34-Y504 PolarHBondContact N-O 2.9Å; T34-Y504 PolarHBondContact OG1-O 2.91Å; T34-H505 PolarHBondContact OG1-ND1 3.23Å; T34-S508 VanDerWaalsContact CB-OG 3.27Å; T34-S508 WeakPolarHBondContact CB-OG 3.34Å; T34-S508 PolarHBondContact OG1-OG 2.88Å
35	D	95.1	Very high	90.8	Very high	43 Å²	43	73.1 Å²	73.1	23%	0.23	38%	0.376	C	S	.	.			trans	51.2	47.3	176.2	-54	-58.5	0	0	0	113.4	I37 C38 C39 G507 S508 S576 F577	D35-I37 VanDerWaalsContact C-N 3.27Å; D35-I37 PolarHBondContact O-N 2.82Å; D35-C38 HydrophobicContact CB-CB 4.32Å; D35-C38 WeakPolarHBondContact O-CB 3.38Å; D35-C38 PolarHBondContact O-N 3.37Å; D35-C39 PolarHBondContact O-N 3.44Å; D35-C39 VanDerWaalsContact O-N 3.15Å; D35-G507 WeakPolarHBondContact O-CA 3.43Å; D35-S508 WeakPolarHBondContact OD2-CA 3.48Å; D35-S508 VanDerWaalsContact OD2-CB 3.28Å; D35-S508 WeakPolarHBondContact OD2-CB 3.33Å; D35-S508 PolarHBondContact OD2-OG 3.43Å; D35-S576 WeakPolarHBondContact OD1-CB 3.46Å; D35-S576 WeakPolarHBondContact OD2-CA 3.12Å; D35-S576 WeakPolarHBondContact OD2-CB 2.81Å; D35-F577 PolarHBondContact OD2-N 3.3Å
36	V	95.3	Very high	91.7	Very high	76 Å²	76	67.6 Å²	67.6	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-56	-37.6	-172.5	-179.8	0	0	0	0	112.9	C33 T34 C38 C39 I40	C33-V36 HydrophobicContact CB-CG2 3.96Å; T34-V36 VanDerWaalsContact C-N 3.33Å; T34-V36 PolarHBondContact O-N 3.08Å; V36-C38 VanDerWaalsContact C-N 3.34Å; V36-C38 PolarHBondContact O-N 3.45Å; V36-C39 VanDerWaalsContact O-CB 3.25Å; V36-C39 WeakPolarHBondContact O-CB 3.36Å; V36-C39 PolarHBondContact O-N 2.73Å; V36-C39 VanDerWaalsContact O-N 3.13Å; V36-I40 HydrophobicContact CG1-CD1 4.12Å; V36-I40 HydrophobicContact CG1-CG1 4.5Å; V36-I40 WeakPolarHBondContact O-CG1 3.28Å; V36-I40 PolarHBondContact O-N 3.44Å
37	I	95.4	Very high	92.4	Very high	131 Å²	131	73 Å²	73	67%	0.672	39%	0.386	S	S	*	.	H	α-helix	trans	-60.3	-44.8	176.8	-64.8	166.5	0	0	0	110.8	D35 C39 I40 I41	D35-I37 VanDerWaalsContact C-N 3.27Å; D35-I37 PolarHBondContact O-N 2.82Å; I37-C39 VanDerWaalsContact C-N 3.27Å; I37-C39 PolarHBondContact O-N 3.1Å; I37-I40 PolarHBondContact O-N 3.35Å; I37-I41 HydrophobicContact CG2-CD1 3.92Å; I37-I41 WeakPolarHBondContact O-CG1 3.38Å; I37-I41 PolarHBondContact O-N 3.2Å
38	C	95.1	Very high	93	Very high	29 Å²	29	74.6 Å²	74.6	20%	0.196	40%	0.404	C	S	.	.	H	α-helix	trans	-65.2	-34.2	177.3	-67.2	0	0	0	0	111.5	D35 V36 F42 G507 F511	D35-C38 HydrophobicContact CB-CB 4.32Å; D35-C38 WeakPolarHBondContact O-CB 3.38Å; D35-C38 PolarHBondContact O-N 3.37Å; V36-C38 VanDerWaalsContact C-N 3.34Å; V36-C38 PolarHBondContact O-N 3.45Å; C38-F42 VanDerWaalsContact O-CB 3.26Å; C38-F42 WeakPolarHBondContact O-CB 3.31Å; C38-F42 PolarHBondContact O-N 3.44Å; C38-G507 WeakPolarHBondContact CB-O 3.26Å; C38-F511 HydrophobicContact CB-CB 4.08Å; C38-F511 VanDerWaalsContact SG-CD2 3.58Å
39	C	96.1	Very high	93.6	Very high	30 Å²	30	72.7 Å²	72.7	20%	0.203	39%	0.391	C	S	.	.	H	α-helix	trans	-62.1	-47	172.9	-167.8	0	0	0	0	111.6	D35 V36 I37 F42 L43	D35-C39 PolarHBondContact O-N 3.44Å; D35-C39 VanDerWaalsContact O-N 3.15Å; V36-C39 VanDerWaalsContact O-CB 3.25Å; V36-C39 WeakPolarHBondContact O-CB 3.36Å; V36-C39 PolarHBondContact O-N 2.73Å; V36-C39 VanDerWaalsContact O-N 3.13Å; I37-C39 VanDerWaalsContact C-N 3.27Å; I37-C39 PolarHBondContact O-N 3.1Å; C39-F42 PolarHBondContact O-N 3.47Å; C39-L43 WeakPolarHBondContact O-CG 3.34Å; C39-L43 PolarHBondContact O-N 3.11Å
40	I	97.1	Very high	94.4	Very high	91 Å²	91	71.2 Å²	71.2	47%	0.467	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-47.2	178.7	-66.6	167.2	0	0	0	110.7	V36 I37 F42 L43 I44	V36-I40 HydrophobicContact CG1-CD1 4.12Å; V36-I40 HydrophobicContact CG1-CG1 4.5Å; V36-I40 WeakPolarHBondContact O-CG1 3.28Å; V36-I40 PolarHBondContact O-N 3.44Å; I37-I40 PolarHBondContact O-N 3.35Å; I40-F42 VanDerWaalsContact C-N 3.29Å; I40-F42 PolarHBondContact O-N 3.37Å; I40-L43 PolarHBondContact O-N 2.99Å; I40-I44 HydrophobicContact CG2-CD1 3.81Å; I40-I44 HydrophobicContact CG2-CG1 4.47Å; I40-I44 WeakPolarHBondContact O-CG1 3.5Å; I40-I44 PolarHBondContact O-N 3.47Å
41	I	96.9	Very high	95.1	Very high	82 Å²	82	66.4 Å²	66.4	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-58.6	-44.4	177.2	-66.2	168.2	0	0	0	110.5	I37 L43 I44 V45 W459	I37-I41 HydrophobicContact CG2-CD1 3.92Å; I37-I41 WeakPolarHBondContact O-CG1 3.38Å; I37-I41 PolarHBondContact O-N 3.2Å; I41-L43 PolarHBondContact O-N 3.48Å; I41-I44 PolarHBondContact O-N 2.73Å; I41-V45 HydrophobicContact CG2-CG2 4.4Å; I41-V45 WeakPolarHBondContact O-CG2 3.2Å; I41-V45 PolarHBondContact O-N 3.05Å; I41-W459 HydrophobicContact CG2-CH2 4.24Å
42	F	97.3	Very high	95.5	Very high	7 Å²	7	66.3 Å²	66.3	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-61.1	-43.9	179.3	-176.2	-117.3	0	0	0	112.3	C38 C39 I40 V45 I46 W459 L460 F463 T506 A510	C38-F42 VanDerWaalsContact O-CB 3.26Å; C38-F42 WeakPolarHBondContact O-CB 3.31Å; C38-F42 PolarHBondContact O-N 3.44Å; C39-F42 PolarHBondContact O-N 3.47Å; I40-F42 VanDerWaalsContact C-N 3.29Å; I40-F42 PolarHBondContact O-N 3.37Å; F42-V45 PolarHBondContact O-N 3.11Å; F42-I46 HydrophobicContact CD1-CD1 3.82Å; F42-I46 HydrophobicContact CD2-CD1 4.46Å; F42-I46 HydrophobicContact CE1-CD1 3.43Å; F42-I46 VanDerWaalsContact CE1-CD1 3.43Å; F42-I46 HydrophobicContact CE2-CD1 4.14Å; F42-I46 HydrophobicContact CG-CD1 4.33Å; F42-I46 HydrophobicContact CZ-CD1 3.61Å; F42-I46 HydrophobicContact CZ-CG1 4.41Å; F42-I46 WeakPolarHBondContact O-CG1 3.4Å; F42-I46 PolarHBondContact O-N 2.95Å; F42-W459 HydrophobicContact CB-CH2 4.47Å; F42-W459 HydrophobicContact CB-CZ2 4.29Å; F42-W459 HydrophobicContact CD2-CD2 4.25Å; F42-W459 AromaticContact CD2-CE2 3.71Å; F42-W459 HydrophobicContact CD2-CH2 4.08Å; F42-W459 AromaticContact CD2-CZ2 3.63Å; F42-W459 HydrophobicContact CD2-CZ2 3.63Å; F42-W459 HydrophobicContact CE2-CD2 4.41Å; F42-W459 HydrophobicContact CE2-CZ2 4.47Å; F42-W459 HydrophobicContact CG-CZ2 4.42Å; F42-L460 HydrophobicContact CE2-CD2 3.98Å; F42-L460 HydrophobicContact CZ-CD2 3.91Å; F42-F463 HydrophobicContact CD1-CE2 4.34Å; F42-F463 HydrophobicContact CE1-CD1 4.1Å; F42-F463 AromaticContact CE1-CD2 3.88Å; F42-F463 HydrophobicContact CE1-CD2 3.88Å; F42-F463 AromaticContact CE1-CE1 3.93Å; F42-F463 HydrophobicContact CE1-CE1 3.93Å; F42-F463 AromaticContact CE1-CE2 3.69Å; F42-F463 HydrophobicContact CE1-CE2 3.69Å; F42-F463 HydrophobicContact CE1-CG 4.08Å; F42-F463 AromaticContact CE1-CZ 3.72Å; F42-F463 HydrophobicContact CE1-CZ 3.72Å; F42-F463 HydrophobicContact CE2-CB 4.34Å; F42-F463 HydrophobicContact CE2-CD2 4.21Å; F42-F463 HydrophobicContact CE2-CG 4.17Å; F42-F463 HydrophobicContact CZ-CB 4.05Å; F42-F463 AromaticContact CZ-CD1 3.69Å; F42-F463 HydrophobicContact CZ-CD1 3.69Å; F42-F463 AromaticContact CZ-CD2 3.63Å; F42-F463 HydrophobicContact CZ-CD2 3.63Å; F42-F463 HydrophobicContact CZ-CE1 4.01Å; F42-F463 AromaticContact CZ-CE2 3.95Å; F42-F463 HydrophobicContact CZ-CE2 3.95Å; F42-F463 AromaticContact CZ-CG 3.49Å; F42-F463 HydrophobicContact CZ-CG 3.49Å; F42-F463 VanDerWaalsContact CZ-CG 3.49Å; F42-F463 HydrophobicContact CZ-CZ 4.14Å; F42-T506 HydrophobicContact CD1-CG2 4.26Å; F42-A510 HydrophobicContact CB-CB 3.8Å; F42-A510 HydrophobicContact CD1-CB 4.16Å; F42-A510 HydrophobicContact CD2-CB 4.03Å; F42-A510 HydrophobicContact CG-CB 3.74Å
43	L	96.7	Very high	95.7	Very high	94 Å²	94	57.7 Å²	57.7	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-42.8	176.4	-68.7	174.5	0	0	0	112.3	C39 I40 I41 V45 I46 L47	C39-L43 WeakPolarHBondContact O-CG 3.34Å; C39-L43 PolarHBondContact O-N 3.11Å; I40-L43 PolarHBondContact O-N 2.99Å; I41-L43 PolarHBondContact O-N 3.48Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 2.88Å; L43-I46 PolarHBondContact O-N 3.04Å; L43-L47 WeakPolarHBondContact O-CG 3.1Å; L43-L47 PolarHBondContact O-N 2.77Å
44	I	97.6	Very high	95.7	Very high	107 Å²	107	56.5 Å²	56.5	55%	0.549	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-44.6	176.1	-69.3	168.4	0	0	0	110.6	I40 I41 L47 G48	I40-I44 HydrophobicContact CG2-CD1 3.81Å; I40-I44 HydrophobicContact CG2-CG1 4.47Å; I40-I44 WeakPolarHBondContact O-CG1 3.5Å; I40-I44 PolarHBondContact O-N 3.47Å; I41-I44 PolarHBondContact O-N 2.73Å; I44-L47 PolarHBondContact O-N 3.42Å; I44-G48 PolarHBondContact O-N 3.41Å
45	V	97.1	Very high	95.7	Very high	43 Å²	43	58.5 Å²	58.5	26%	0.261	33%	0.334	S	S	.	.	H	α-helix	trans	-66.2	-38.8	179.6	170.4	0	0	0	0	111.6	I41 F42 L43 G48 Y49 V456 W459	I41-V45 HydrophobicContact CG2-CG2 4.4Å; I41-V45 WeakPolarHBondContact O-CG2 3.2Å; I41-V45 PolarHBondContact O-N 3.05Å; F42-V45 PolarHBondContact O-N 3.11Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 2.88Å; V45-G48 PolarHBondContact O-N 3.32Å; V45-Y49 VanDerWaalsContact O-CB 3.28Å; V45-Y49 WeakPolarHBondContact O-CB 3.49Å; V45-Y49 PolarHBondContact O-N 3.29Å; V45-V456 HydrophobicContact CG1-CG1 4.26Å; V45-V456 HydrophobicContact CG1-CG2 3.86Å; V45-W459 HydrophobicContact CB-CZ3 4.03Å; V45-W459 HydrophobicContact CG1-CE3 4.12Å; V45-W459 HydrophobicContact CG1-CZ3 3.84Å; V45-W459 HydrophobicContact CG2-CZ3 3.96Å
46	I	96.3	Very high	95.5	Very high	49 Å²	49	56.5 Å²	56.5	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-48	173.4	-73.3	170.1	0	0	0	110.8	F42 L43 G48 Y49 I50 L460	F42-I46 HydrophobicContact CD1-CD1 3.82Å; F42-I46 HydrophobicContact CD2-CD1 4.46Å; F42-I46 HydrophobicContact CE1-CD1 3.43Å; F42-I46 VanDerWaalsContact CE1-CD1 3.43Å; F42-I46 HydrophobicContact CE2-CD1 4.14Å; F42-I46 HydrophobicContact CG-CD1 4.33Å; F42-I46 HydrophobicContact CZ-CD1 3.61Å; F42-I46 HydrophobicContact CZ-CG1 4.41Å; F42-I46 WeakPolarHBondContact O-CG1 3.4Å; F42-I46 PolarHBondContact O-N 2.95Å; L43-I46 PolarHBondContact O-N 3.04Å; I46-G48 VanDerWaalsContact C-N 3.35Å; I46-G48 PolarHBondContact O-N 2.88Å; I46-Y49 WeakPolarHBondContact O-CB 3.38Å; I46-Y49 PolarHBondContact O-N 2.96Å; I46-Y49 VanDerWaalsContact O-N 3.15Å; I46-I50 HydrophobicContact CG2-CD1 3.98Å; I46-I50 WeakPolarHBondContact O-CG1 3.22Å; I46-I50 PolarHBondContact O-N 3.34Å; I46-L460 HydrophobicContact CD1-CD2 4.29Å; I46-L460 HydrophobicContact CG1-CD2 4.11Å
47	L	96.8	Very high	95.3	Very high	118 Å²	118	57.8 Å²	57.8	62%	0.618	32%	0.32	S	S	*	.	H	α-helix	trans	-62.5	-42.5	178.7	-68.5	173.6	0	0	0	111.7	L43 I44 Y49 I50 A51	L43-L47 WeakPolarHBondContact O-CG 3.1Å; L43-L47 PolarHBondContact O-N 2.77Å; I44-L47 PolarHBondContact O-N 3.42Å; L47-Y49 VanDerWaalsContact C-N 3.29Å; L47-Y49 PolarHBondContact O-N 3.1Å; L47-I50 PolarHBondContact O-N 3.06Å; L47-A51 PolarHBondContact O-N 3.01Å
48	G	96.2	Very high	95	Very high	43 Å²	43	59.5 Å²	59.5	44%	0.443	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-35.5	173.9	0	0	0	0	0	112.9	I44 V45 I46 A51 L52	I44-G48 PolarHBondContact O-N 3.41Å; V45-G48 PolarHBondContact O-N 3.32Å; I46-G48 VanDerWaalsContact C-N 3.35Å; I46-G48 PolarHBondContact O-N 2.88Å; G48-A51 PolarHBondContact O-N 3.32Å; G48-L52 WeakPolarHBondContact O-CB 3.32Å; G48-L52 PolarHBondContact O-N 2.84Å
49	Y	96.4	Very high	94.6	Very high	12 Å²	12	62.8 Å²	62.8	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-71.6	-35.2	177.2	-170.3	-131.9	0	0	0	112.8	V45 I46 L47 L52 G53 Y380 S381 N453 V456 L460	V45-Y49 VanDerWaalsContact O-CB 3.28Å; V45-Y49 WeakPolarHBondContact O-CB 3.49Å; V45-Y49 PolarHBondContact O-N 3.29Å; I46-Y49 WeakPolarHBondContact O-CB 3.38Å; I46-Y49 PolarHBondContact O-N 2.96Å; I46-Y49 VanDerWaalsContact O-N 3.15Å; L47-Y49 VanDerWaalsContact C-N 3.29Å; L47-Y49 PolarHBondContact O-N 3.1Å; Y49-L52 HydrophobicContact CD2-CD2 4.24Å; Y49-L52 HydrophobicContact CE2-CD2 4.49Å; Y49-L52 PolarHBondContact O-N 3.27Å; Y49-G53 PolarHBondContact O-N 2.87Å; Y49-Y380 AromaticContact CD1-CD1 3.92Å; Y49-Y380 HydrophobicContact CD1-CD1 3.92Å; Y49-Y380 AromaticContact CD1-CE1 3.55Å; Y49-Y380 HydrophobicContact CD1-CE1 3.55Å; Y49-Y380 HydrophobicContact CD2-CE1 4.32Å; Y49-Y380 AromaticContact CE1-CD1 3.26Å; Y49-Y380 HydrophobicContact CE1-CD1 3.26Å; Y49-Y380 AromaticContact CE1-CE1 3.3Å; Y49-Y380 HydrophobicContact CE1-CE1 3.3Å; Y49-Y380 HydrophobicContact CE2-CE1 4.07Å; Y49-Y380 HydrophobicContact CG-CE1 4.07Å; Y49-Y380 AromaticContact CZ-CD1 3.6Å; Y49-Y380 AromaticContact CZ-CE1 3.57Å; Y49-Y380 PolarHBondContact O-OH 3.25Å; Y49-S381 WeakPolarHBondContact OH-CA 3.32Å; Y49-S381 WeakPolarHBondContact OH-CB 3.27Å; Y49-N453 HydrophobicContact CE2-CB 4.35Å; Y49-N453 WeakPolarHBondContact CE2-OD1 3.21Å; Y49-N453 VanDerWaalsContact CZ-OD1 3.3Å; Y49-N453 PolarHBondContact OH-OD1 3.26Å; Y49-V456 HydrophobicContact CD1-CG1 3.6Å; Y49-V456 HydrophobicContact CD2-CB 4.13Å; Y49-V456 HydrophobicContact CD2-CG1 3.97Å; Y49-V456 HydrophobicContact CD2-CG2 4.49Å; Y49-V456 HydrophobicContact CE1-CG1 3.95Å; Y49-V456 HydrophobicContact CE2-CB 4.28Å; Y49-V456 HydrophobicContact CE2-CG1 4.34Å; Y49-V456 HydrophobicContact CG-CB 4.27Å; Y49-V456 HydrophobicContact CG-CG1 3.59Å; Y49-L460 HydrophobicContact CD1-CD1 3.99Å; Y49-L460 HydrophobicContact CE1-CD1 3.89Å
50	I	95.9	Very high	94.2	Very high	85 Å²	85	61.9 Å²	61.9	44%	0.436	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-45.5	170	-66.8	166.8	0	0	0	110.5	I46 L47 G53 T54 Y380	I46-I50 HydrophobicContact CG2-CD1 3.98Å; I46-I50 WeakPolarHBondContact O-CG1 3.22Å; I46-I50 PolarHBondContact O-N 3.34Å; L47-I50 PolarHBondContact O-N 3.06Å; I50-G53 PolarHBondContact O-N 3.39Å; I50-T54 WeakPolarHBondContact O-CB 3.47Å; I50-T54 PolarHBondContact O-N 3.2Å; I50-T54 PolarHBondContact O-OG1 2.92Å; I50-Y380 WeakPolarHBondContact CA-OH 3.38Å; I50-Y380 PolarHBondContact O-OH 2.82Å
51	A	95.2	Very high	93.7	Very high	53 Å²	53	59 Å²	59	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-43	175.7	0	0	0	0	0	112	L47 G48 G53 T54 V55	L47-A51 PolarHBondContact O-N 3.01Å; G48-A51 PolarHBondContact O-N 3.32Å; A51-G53 PolarHBondContact O-N 3.04Å; A51-T54 WeakPolarHBondContact O-CB 3.13Å; A51-T54 PolarHBondContact O-N 3.19Å; A51-V55 WeakPolarHBondContact O-CG2 3.5Å; A51-V55 PolarHBondContact O-N 3.41Å
52	L	93.9	Very high	93	Very high	26 Å²	26	56.9 Å²	56.9	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-48.1	176.9	176.7	60	0	0	0	112.2	G48 Y49 T54 V55 A56 L449	G48-L52 WeakPolarHBondContact O-CB 3.32Å; G48-L52 PolarHBondContact O-N 2.84Å; Y49-L52 HydrophobicContact CD2-CD2 4.24Å; Y49-L52 HydrophobicContact CE2-CD2 4.49Å; Y49-L52 PolarHBondContact O-N 3.27Å; L52-T54 VanDerWaalsContact C-N 3.3Å; L52-T54 PolarHBondContact O-N 3.28Å; L52-V55 PolarHBondContact O-N 2.94Å; L52-A56 WeakPolarHBondContact O-CB 3.47Å; L52-A56 PolarHBondContact O-N 2.94Å; L52-L449 HydrophobicContact CD1-CB 4.34Å; L52-L449 HydrophobicContact CD1-CD1 4.07Å; L52-L449 HydrophobicContact CD1-CD2 3.72Å; L52-L449 HydrophobicContact CD1-CG 4.25Å
53	G	93.9	Very high	92.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-41.2	177.7	0	0	0	0	0	111.8	Y49 I50 A51 A56 W57 Y380	Y49-G53 PolarHBondContact O-N 2.87Å; I50-G53 PolarHBondContact O-N 3.39Å; A51-G53 PolarHBondContact O-N 3.04Å; G53-A56 PolarHBondContact O-N 3.49Å; G53-W57 PolarHBondContact O-N 2.94Å; G53-Y380 WeakPolarHBondContact CA-OH 3.18Å
54	T	93.5	Very high	91.4	Very high	52 Å²	52	59.3 Å²	59.3	32%	0.319	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-47.1	176.6	-55.7	0	0	0	0	112	I50 A51 L52 W57 F58	I50-T54 WeakPolarHBondContact O-CB 3.47Å; I50-T54 PolarHBondContact O-N 3.2Å; I50-T54 PolarHBondContact O-OG1 2.92Å; A51-T54 WeakPolarHBondContact O-CB 3.13Å; A51-T54 PolarHBondContact O-N 3.19Å; L52-T54 VanDerWaalsContact C-N 3.3Å; L52-T54 PolarHBondContact O-N 3.28Å; T54-W57 PolarHBondContact O-N 3.4Å; T54-F58 HydrophobicContact CG2-CD2 3.89Å; T54-F58 HydrophobicContact CG2-CE2 3.48Å; T54-F58 VanDerWaalsContact CG2-CE2 3.48Å; T54-F58 WeakPolarHBondContact O-CD2 3.11Å; T54-F58 PolarHBondContact O-N 2.72Å; T54-F58 VanDerWaalsContact O-N 3.11Å
55	V	91.8	Very high	90.2	Very high	58 Å²	58	58.8 Å²	58.8	35%	0.352	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-42.1	176.4	174.2	0	0	0	0	111.1	A51 L52 W57 F58 H59 Y442	A51-V55 WeakPolarHBondContact O-CG2 3.5Å; A51-V55 PolarHBondContact O-N 3.41Å; L52-V55 PolarHBondContact O-N 2.94Å; V55-W57 VanDerWaalsContact C-N 3.29Å; V55-W57 PolarHBondContact O-N 3.2Å; V55-F58 PolarHBondContact O-N 3.18Å; V55-H59 PolarHBondContact O-CD2 3.15Å; V55-H59 PolarHBondContact O-N 3.38Å; V55-H59 VanDerWaalsContact O-N 3.16Å; V55-Y442 HydrophobicContact CG1-CD2 3.9Å; V55-Y442 HydrophobicContact CG1-CE2 3.63Å
56	A	91.3	Very high	89.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-39.2	176.1	0	0	0	0	0	111.6	L52 G53 H59 G60 T384 F387	L52-A56 WeakPolarHBondContact O-CB 3.47Å; L52-A56 PolarHBondContact O-N 2.94Å; G53-A56 PolarHBondContact O-N 3.49Å; A56-H59 PolarHBondContact O-N 3.17Å; A56-G60 WeakPolarHBondContact O-CA 3.36Å; A56-G60 PolarHBondContact O-N 3.15Å; A56-T384 HydrophobicContact CB-CG2 4.37Å; A56-F387 HydrophobicContact CB-CB 4.21Å
57	W	90.8	Very high	88.2	Confident	104 Å²	104	60.8 Å²	60.8	39%	0.394	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-36.4	176.2	-64.5	-29.7	0	0	0	113.6	G53 T54 V55 Y380 V383 F387	G53-W57 PolarHBondContact O-N 2.94Å; T54-W57 PolarHBondContact O-N 3.4Å; V55-W57 VanDerWaalsContact C-N 3.29Å; V55-W57 PolarHBondContact O-N 3.2Å; W57-Y380 HydrophobicContact CH2-CD2 4.33Å; W57-Y380 AromaticContact CH2-CE2 3.74Å; W57-Y380 HydrophobicContact CH2-CE2 3.74Å; W57-Y380 HydrophobicContact CZ2-CD2 4.46Å; W57-Y380 HydrophobicContact CZ2-CE2 4.09Å; W57-V383 HydrophobicContact CZ2-CG1 4.27Å; W57-F387 HydrophobicContact CB-CD1 4.42Å; W57-F387 AromaticContact CD1-CD1 3.74Å; W57-F387 AromaticContact CD1-CD2 3.58Å; W57-F387 AromaticContact CD1-CE2 3.86Å; W57-F387 AromaticContact CD1-CG 3.48Å; W57-F387 VanDerWaalsContact CD1-CG 3.48Å; W57-F387 HydrophobicContact CG-CD1 4.49Å; W57-F387 AromaticContact NE1-CD2 3.94Å
58	F	90	Very high	87.3	Confident	167 Å²	167	55.4 Å²	55.4	73%	0.732	29%	0.292	S	S	*	.	H	α-helix	trans	-70.2	-33.8	177.6	-78.3	-60.2	0	0	0	113.3	T54 V55	T54-F58 HydrophobicContact CG2-CD2 3.89Å; T54-F58 HydrophobicContact CG2-CE2 3.48Å; T54-F58 VanDerWaalsContact CG2-CE2 3.48Å; T54-F58 WeakPolarHBondContact O-CD2 3.11Å; T54-F58 PolarHBondContact O-N 2.72Å; T54-F58 VanDerWaalsContact O-N 3.11Å; V55-F58 PolarHBondContact O-N 3.18Å
59	H	86.7	Confident	86.5	Confident	98 Å²	98	54 Å²	54	45%	0.454	28%	0.275	S	S	.	.	H	α-helix	trans	-100.1	-18.9	-176.7	-70.6	-70.6	0	0	0	114.6	V55 A56 Y442	V55-H59 PolarHBondContact O-CD2 3.15Å; V55-H59 PolarHBondContact O-N 3.38Å; V55-H59 VanDerWaalsContact O-N 3.16Å; A56-H59 PolarHBondContact O-N 3.17Å; H59-Y442 HydrophobicContact CB-CE1 4.2Å
60	G	86.3	Confident	86	Confident	10 Å²	10	53.8 Å²	53.8	10%	0.103	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-86.1	142.3	-179.9	0	0	0	0	0	112.5	A56 F387 S390	A56-G60 WeakPolarHBondContact O-CA 3.36Å; A56-G60 PolarHBondContact O-N 3.15Å; G60-F387 WeakPolarHBondContact CA-O 3.38Å; G60-S390 WeakPolarHBondContact CA-OG 3.29Å
61	D	86.4	Confident	85.3	Confident	32 Å²	32	50 Å²	50	17%	0.171	26%	0.255	C	S	.	.			trans	-129.4	102.9	170	-173	-14.7	0	0	0	109.4	R63 K64 S390	D61-R63 PolarHBondContact O-N 3.35Å; D61-R63 VanDerWaalsContact OD1-CB 3.24Å; D61-R63 WeakPolarHBondContact OD1-CB 3.5Å; D61-R63 WeakPolarHBondContact OD1-CG 3.26Å; D61-R63 IonicContact OD1-CZ 2.73Å; D61-R63 PolarHBondContact OD1-N 2.83Å; D61-R63 IonicContact OD1-NE 3.28Å; D61-R63 PolarHBondContact OD1-NE 3.37Å; D61-R63 IonicContact OD1-NH2 3.28Å; D61-R63 IonicContact OD2-CZ 3.42Å; D61-R63 VanDerWaalsContact OD2-CZ 3.28Å; D61-R63 IonicContact OD2-NE 3.87Å; D61-R63 PolarHBondContact OD2-NE 3.16Å; D61-R63 VanDerWaalsContact OD2-NE 3.08Å; D61-R63 IonicContact OD2-NH2 2.65Å; D61-R63 PolarHBondContact OD2-NH2 3.47Å; D61-K64 HydrophobicContact CB-CD 4.13Å; D61-K64 HydrophobicContact CB-CG 4.26Å; D61-K64 WeakPolarHBondContact O-CB 3.13Å; D61-K64 WeakPolarHBondContact O-CG 3.43Å; D61-K64 PolarHBondContact O-N 2.97Å; D61-S390 PolarHBondContact N-OG 3.42Å; D61-S390 VanDerWaalsContact O-CB 3.29Å; D61-S390 WeakPolarHBondContact O-CB 3.49Å
62	P	83.1	Confident	84.5	Confident	37 Å²	37	51.9 Å²	51.9	24%	0.24	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-22	-178.5	-26.1	34.3	0	0	0	114.2	K64 I65 I66 V386 F387	P62-K64 PolarHBondContact O-N 3Å; P62-I65 PolarHBondContact O-N 3.18Å; P62-I65 VanDerWaalsContact O-N 3.09Å; P62-I66 PolarHBondContact O-N 2.95Å; P62-V386 HydrophobicContact CB-CG1 4.48Å; P62-F387 HydrophobicContact CG-CD1 4.17Å; P62-F387 HydrophobicContact CG-CD2 4.12Å; P62-F387 HydrophobicContact CG-CE1 3.68Å; P62-F387 HydrophobicContact CG-CE2 3.62Å; P62-F387 HydrophobicContact CG-CG 4.4Å; P62-F387 HydrophobicContact CG-CZ 3.39Å
63	R	80.9	Confident	83.7	Confident	110 Å²	110	51.4 Å²	51.4	42%	0.415	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-29.4	177.5	-64.3	177.6	-69.9	-178.7	-3.6	112.5	D61 I65 I66 S67 F75	D61-R63 PolarHBondContact O-N 3.35Å; D61-R63 VanDerWaalsContact OD1-CB 3.24Å; D61-R63 WeakPolarHBondContact OD1-CB 3.5Å; D61-R63 WeakPolarHBondContact OD1-CG 3.26Å; D61-R63 IonicContact OD1-CZ 2.73Å; D61-R63 PolarHBondContact OD1-N 2.83Å; D61-R63 IonicContact OD1-NE 3.28Å; D61-R63 PolarHBondContact OD1-NE 3.37Å; D61-R63 IonicContact OD1-NH2 3.28Å; D61-R63 IonicContact OD2-CZ 3.42Å; D61-R63 VanDerWaalsContact OD2-CZ 3.28Å; D61-R63 IonicContact OD2-NE 3.87Å; D61-R63 PolarHBondContact OD2-NE 3.16Å; D61-R63 VanDerWaalsContact OD2-NE 3.08Å; D61-R63 IonicContact OD2-NH2 2.65Å; D61-R63 PolarHBondContact OD2-NH2 3.47Å; R63-I65 PolarHBondContact O-N 3.22Å; R63-I66 PolarHBondContact O-N 2.91Å; R63-S67 WeakPolarHBondContact O-CB 3.46Å; R63-S67 PolarHBondContact O-N 2.96Å; R63-F75 HydrophobicContact CB-CE1 4.48Å; R63-F75 HydrophobicContact CB-CE2 4.48Å; R63-F75 HydrophobicContact CB-CZ 4.27Å
64	K	78.6	Confident	83.2	Confident	41 Å²	41	54.9 Å²	54.9	18%	0.178	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-24.7	176.6	-63.5	170.7	-174.6	159.6	0	113.5	D61 P62 F75 S390 G392 Y436	D61-K64 HydrophobicContact CB-CD 4.13Å; D61-K64 HydrophobicContact CB-CG 4.26Å; D61-K64 WeakPolarHBondContact O-CB 3.13Å; D61-K64 WeakPolarHBondContact O-CG 3.43Å; D61-K64 PolarHBondContact O-N 2.97Å; P62-K64 PolarHBondContact O-N 3Å; K64-F75 HydrophobicContact CG-CE1 4.17Å; K64-F75 HydrophobicContact CG-CZ 3.87Å; K64-S390 WeakPolarHBondContact CD-O 3.19Å; K64-S390 PolarHBondContact NZ-O 2.94Å; K64-G392 PolarHBondContact NZ-O 3.05Å; K64-Y436 HydrophobicContact CB-CD2 4.21Å; K64-Y436 HydrophobicContact CB-CE2 4Å; K64-Y436 HydrophobicContact CD-CD1 3.73Å; K64-Y436 HydrophobicContact CD-CD2 4.19Å; K64-Y436 HydrophobicContact CD-CE1 3.88Å; K64-Y436 HydrophobicContact CD-CE2 4.34Å; K64-Y436 HydrophobicContact CD-CG 3.9Å; K64-Y436 HydrophobicContact CG-CD1 4.25Å; K64-Y436 HydrophobicContact CG-CD2 4.25Å; K64-Y436 HydrophobicContact CG-CE1 3.93Å; K64-Y436 HydrophobicContact CG-CE2 3.94Å; K64-Y436 HydrophobicContact CG-CG 4.4Å
65	I	74.1	Confident	82.9	Confident	97 Å²	97	53.8 Å²	53.8	50%	0.497	26%	0.264	S	S	.	.	H	α-helix	trans	-91.1	-35.6	178.8	-61.1	170.6	0	0	0	110.7	P62 R63 V386 A389	P62-I65 PolarHBondContact O-N 3.18Å; P62-I65 VanDerWaalsContact O-N 3.09Å; R63-I65 PolarHBondContact O-N 3.22Å; I65-V386 HydrophobicContact CD1-CG1 4.02Å; I65-A389 HydrophobicContact CD1-CB 4.45Å
66	I	73.6	Confident	82.5	Confident	104 Å²	104	51.2 Å²	51.2	53%	0.533	25%	0.248	S	C	.	.	H	α-helix	trans	-85.5	-43.8	-171.8	-61.3	171.4	0	0	0	111.7	P62 R63 K221	P62-I66 PolarHBondContact O-N 2.95Å; R63-I66 PolarHBondContact O-N 2.91Å; I66-K221 PolarHBondContact O-NZ 2.66Å
67	S	77.4	Confident	82.1	Confident	30 Å²	30	52.8 Å²	52.8	21%	0.21	26%	0.264	C	S	.	.	S	Bend	trans	-102.3	136.1	-170.2	-65.1	0	0	0	0	112.1	R63	R63-S67 WeakPolarHBondContact O-CB 3.46Å; R63-S67 PolarHBondContact O-N 2.96Å
68	P	77.9	Confident	81.7	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.026	26%	0.258	C	S	.	.			trans	-66	147.2	170.9	26.8	-29.8	0	0	0	110.8	C76 L89 Q173	P68-C76 HydrophobicContact CG-CB 4.16Å; P68-C76 PolarHBondContact O-N 2.77Å; P68-C76 VanDerWaalsContact O-N 3.07Å; P68-L89 HydrophobicContact CB-CB 3.94Å; P68-L89 HydrophobicContact CB-CD1 4.43Å; P68-L89 HydrophobicContact CB-CD2 3.93Å; P68-L89 HydrophobicContact CB-CG 4.34Å; P68-L89 HydrophobicContact CG-CB 4.26Å; P68-Q173 VanDerWaalsContact CD-OE1 3.24Å; P68-Q173 HydrophobicContact CG-CB 3.99Å
69	T	79.7	Confident	81.2	Confident	14 Å²	14	50.5 Å²	50.5	9%	0.086	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-113.3	136.7	177	-48.3	0	0	0	0	108.4	G73 Q74 F433 Y436	T69-G73 VanDerWaalsContact CG2-CA 3.4Å; T69-Q74 CarbonylContact C-O 3.27Å; T69-Q74 WeakPolarHBondContact CA-O 3.43Å; T69-F433 HydrophobicContact CG2-CD1 4.35Å; T69-F433 HydrophobicContact CG2-CE1 4.42Å; T69-Y436 WeakPolarHBondContact CG2-OH 3.24Å; T69-Y436 PolarHBondContact OG1-OH 3.13Å
70	D	84.9	Confident	80.7	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.037	28%	0.278	C	S	.	.			trans	-73.8	175.1	171.9	67.6	17.5	0	0	0	112.2	Q72 G73 Q74 N83 L89 Q112	D70-Q72 PolarHBondContact O-N 2.86Å; D70-Q72 VanDerWaalsContact O-N 3.15Å; D70-Q72 VanDerWaalsContact OD1-C 3.31Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.48Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.31Å; D70-Q72 PolarHBondContact OD1-N 3.32Å; D70-G73 PolarHBondContact O-N 2.69Å; D70-G73 PolarHBondContact OD1-N 2.85Å; D70-Q74 PolarHBondContact N-O 2.87Å; D70-Q74 PolarHBondContact OD1-N 3.22Å; D70-N83 PolarHBondContact OD2-ND2 3.23Å; D70-L89 HydrophobicContact CB-CD1 4.36Å; D70-Q112 WeakPolarHBondContact CB-O 3.35Å
71	S	81.4	Confident	80.3	Confident	5 Å²	5	55.7 Å²	55.7	4%	0.035	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.3	178	-70.9	0	0	0	0	114.6	Q112 M432 F433	S71-Q112 PolarHBondContact N-O 3.12Å; S71-Q112 PolarHBondContact OG-N 2.68Å; S71-M432 WeakPolarHBondContact OG-CE 3.38Å; S71-F433 WeakPolarHBondContact O-CB 3.17Å; S71-F433 PolarHBondContact O-N 3.39Å
72	Q	78.5	Confident	79.8	Confident	93 Å²	93	58.2 Å²	58.2	44%	0.435	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3	175.3	-61.6	-61	-28.6	0	0	112.4	D70 Q74 Y396	D70-Q72 PolarHBondContact O-N 2.86Å; D70-Q72 VanDerWaalsContact O-N 3.15Å; D70-Q72 VanDerWaalsContact OD1-C 3.31Å; D70-Q72 WeakPolarHBondContact OD1-CA 3.48Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.31Å; D70-Q72 PolarHBondContact OD1-N 3.32Å; Q72-Q74 VanDerWaalsContact C-N 3.35Å; Q72-Q74 HydrophobicContact CB-CG 4.47Å; Q72-Y396 PolarHBondContact O-OH 2.83Å
73	G	77.1	Confident	79.7	Confident	17 Å²	17	56.8 Å²	56.8	18%	0.175	30%	0.299	C	S	.	.	S	Bend	trans	80.1	13.6	179.6	0	0	0	0	0	114	T69 D70	T69-G73 VanDerWaalsContact CG2-CA 3.4Å; D70-G73 PolarHBondContact O-N 2.69Å; D70-G73 PolarHBondContact OD1-N 2.85Å
74	Q	83.7	Confident	79.6	Confident	72 Å²	72	54.1 Å²	54.1	34%	0.336	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-96.8	138.5	179	-55.6	-174.6	-20.3	0	0	111.4	T69 D70 Q72 S82 N83	T69-Q74 CarbonylContact C-O 3.27Å; T69-Q74 WeakPolarHBondContact CA-O 3.43Å; D70-Q74 PolarHBondContact N-O 2.87Å; D70-Q74 PolarHBondContact OD1-N 3.22Å; Q72-Q74 VanDerWaalsContact C-N 3.35Å; Q72-Q74 HydrophobicContact CB-CG 4.47Å; Q74-S82 PolarHBondContact OE1-OG 3.33Å; Q74-N83 PolarHBondContact OE1-ND2 3.41Å
75	F	85.8	Confident	79.8	Confident	30 Å²	30	58.8 Å²	58.8	13%	0.132	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-72.2	133.6	174.9	-60.8	-62.9	0	0	0	111.3	R63 K64 Q78 Y436	R63-F75 HydrophobicContact CB-CE1 4.48Å; R63-F75 HydrophobicContact CB-CE2 4.48Å; R63-F75 HydrophobicContact CB-CZ 4.27Å; K64-F75 HydrophobicContact CG-CE1 4.17Å; K64-F75 HydrophobicContact CG-CZ 3.87Å; F75-Q78 HydrophobicContact CB-CB 4.01Å; F75-Q78 WeakPolarHBondContact O-CB 3.49Å; F75-Y436 WeakPolarHBondContact CE1-OH 3.47Å
76	C	85.3	Confident	80.4	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.02	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	135	171.9	-56.9	0	0	0	0	110.7	P68 Q78 K86 C114	P68-C76 HydrophobicContact CG-CB 4.16Å; P68-C76 PolarHBondContact O-N 2.77Å; P68-C76 VanDerWaalsContact O-N 3.07Å; C76-Q78 VanDerWaalsContact C-N 3.31Å; C76-Q78 PolarHBondContact O-N 3.32Å; C76-K86 CarbonylContact C-O 3.58Å; C76-K86 WeakPolarHBondContact CA-O 3.36Å; C76-K86 WeakPolarHBondContact CB-O 3.47Å; C76-C114 WeakPolarHBondContact CA-SG 3.32Å; C76-C114 HydrophobicContact CB-CB 3.83Å; C76-C114 WeakPolarHBondContact CB-SG 3.31Å; C76-C114 WeakPolarHBondContact SG-CB 3.41Å; C76-C114 CovalentContact SG-SG 2.04Å; C76-C114 PolarHBondContact SG-SG 3.47Å
77	G	82.6	Confident	81	Confident	33 Å²	33	56 Å²	56	34%	0.34	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	12.6	179.8	0	0	0	0	0	115	K79 N83 K86	G77-K79 PolarHBondContact O-N 3.48Å; G77-N83 VanDerWaalsContact CA-O 3.31Å; G77-N83 WeakPolarHBondContact CA-O 3.5Å; G77-N83 PolarHBondContact N-O 2.97Å; G77-K86 PolarHBondContact N-O 2.84Å
78	Q	82.7	Confident	81.4	Confident	58 Å²	58	55.3 Å²	55.3	27%	0.271	30%	0.302	S	S	.	.			trans	-71.9	126.1	176.5	-178.5	65.9	31.8	0	0	110.3	F75 C76 T81 S84	F75-Q78 HydrophobicContact CB-CB 4.01Å; F75-Q78 WeakPolarHBondContact O-CB 3.49Å; C76-Q78 VanDerWaalsContact C-N 3.31Å; C76-Q78 PolarHBondContact O-N 3.32Å; Q78-T81 HydrophobicContact CB-CG2 4.34Å; Q78-T81 HydrophobicContact CG-CG2 3.9Å; Q78-T81 PolarHBondContact O-OG1 2.92Å; Q78-T81 VanDerWaalsContact O-OG1 3.07Å; Q78-S84 VanDerWaalsContact O-CA 3.27Å; Q78-S84 WeakPolarHBondContact O-CA 3.41Å
79	K	77.7	Confident	81.8	Confident	165 Å²	165	55.1 Å²	55.1	72%	0.717	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	144.3	174.4	-63.3	-176.9	179.2	-177.8	0	109.9	G77 T81	G77-K79 PolarHBondContact O-N 3.48Å; K79-T81 VanDerWaalsContact C-N 3.31Å; K79-T81 PolarHBondContact O-N 2.86Å
80	D	76.8	Confident	82.1	Confident	166 Å²	166	55 Å²	55	89%	0.888	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	16.7	178.3	-44.8	-47.3	0	0	0	116.3
81	T	78.3	Confident	82.1	Confident	51 Å²	51	55.3 Å²	55.3	31%	0.313	30%	0.3	S	S	.	.	S	Bend	trans	-117.9	170	168.7	69	0	0	0	0	111.5	Q78 K79 N83 S84	Q78-T81 HydrophobicContact CB-CG2 4.34Å; Q78-T81 HydrophobicContact CG-CG2 3.9Å; Q78-T81 PolarHBondContact O-OG1 2.92Å; Q78-T81 VanDerWaalsContact O-OG1 3.07Å; K79-T81 VanDerWaalsContact C-N 3.31Å; K79-T81 PolarHBondContact O-N 2.86Å; T81-N83 PolarHBondContact O-N 2.99Å; T81-N83 PolarHBondContact OG1-N 3.09Å; T81-S84 WeakPolarHBondContact O-CB 3.35Å; T81-S84 PolarHBondContact O-N 3.29Å; T81-S84 VanDerWaalsContact O-N 3.09Å; T81-S84 PolarHBondContact O-OG 2.91Å
82	S	75.6	Confident	82.2	Confident	85 Å²	85	55.7 Å²	55.7	59%	0.594	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.3	172.7	44.4	0	0	0	0	114	Q74	Q74-S82 PolarHBondContact OE1-OG 3.33Å
83	N	81.1	Confident	82.1	Confident	7 Å²	7	53 Å²	53	4%	0.037	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13.4	-179.1	-66	-22.5	0	0	0	113.3	D70 Q74 G77 T81 N85 K86 C114	D70-N83 PolarHBondContact OD2-ND2 3.23Å; Q74-N83 PolarHBondContact OE1-ND2 3.41Å; G77-N83 VanDerWaalsContact CA-O 3.31Å; G77-N83 WeakPolarHBondContact CA-O 3.5Å; G77-N83 PolarHBondContact N-O 2.97Å; T81-N83 PolarHBondContact O-N 2.99Å; T81-N83 PolarHBondContact OG1-N 3.09Å; N83-N85 VanDerWaalsContact C-N 3.34Å; N83-N85 PolarHBondContact O-N 3.37Å; N83-K86 HydrophobicContact CB-CB 4.48Å; N83-K86 CarbonylContact O-C 3.6Å; N83-K86 PolarHBondContact O-N 3.48Å; N83-K86 VanDerWaalsContact O-O 3.1Å; N83-C114 HydrophobicContact CB-CB 4.2Å; N83-C114 PolarHBondContact ND2-SG 3.01Å
84	S	78.8	Confident	82	Confident	55 Å²	55	53 Å²	53	39%	0.385	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-44.4	-178.9	61.9	0	0	0	0	113.6	Q78 T81	Q78-S84 VanDerWaalsContact O-CA 3.27Å; Q78-S84 WeakPolarHBondContact O-CA 3.41Å; T81-S84 WeakPolarHBondContact O-CB 3.35Å; T81-S84 PolarHBondContact O-N 3.29Å; T81-S84 VanDerWaalsContact O-N 3.09Å; T81-S84 PolarHBondContact O-OG 2.91Å
85	N	82.7	Confident	81.5	Confident	139 Å²	139	50.6 Å²	50.6	74%	0.743	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	5.6	177.9	-65.8	-25	0	0	0	113.3	N83 S116	N83-N85 VanDerWaalsContact C-N 3.34Å; N83-N85 PolarHBondContact O-N 3.37Å; N85-S116 WeakPolarHBondContact O-CB 3.36Å
86	K	86.6	Confident	80.8	Confident	69 Å²	69	53.4 Å²	53.4	30%	0.3	29%	0.287	S	S	.	.			trans	-119.7	87.5	-175.4	-56.7	-167.9	-166.8	178.4	0	109.8	C76 G77 N83 C114 V115	C76-K86 CarbonylContact C-O 3.58Å; C76-K86 WeakPolarHBondContact CA-O 3.36Å; C76-K86 WeakPolarHBondContact CB-O 3.47Å; G77-K86 PolarHBondContact N-O 2.84Å; N83-K86 HydrophobicContact CB-CB 4.48Å; N83-K86 CarbonylContact O-C 3.6Å; N83-K86 PolarHBondContact O-N 3.48Å; N83-K86 VanDerWaalsContact O-O 3.1Å; K86-C114 HydrophobicContact CB-CB 3.89Å; K86-C114 WeakPolarHBondContact CD-O 3.32Å; K86-V115 CarbonylContact C-O 3.48Å; K86-V115 WeakPolarHBondContact CA-O 3.39Å
87	N	86.3	Confident	80	Confident	73 Å²	73	53.6 Å²	53.6	39%	0.39	29%	0.288	S	S	.	.			trans	-97.3	-1.9	-171.9	64.2	-9.6	0	0	0	114.3	V115 Q173	N87-V115 PolarHBondContact N-O 3.37Å; N87-Q173 VanDerWaalsContact O-CB 3.24Å; N87-Q173 WeakPolarHBondContact O-CB 3.37Å; N87-Q173 WeakPolarHBondContact O-CG 3.43Å
88	I	85.9	Confident	79	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.2	-177.5	-62	155.7	0	0	0	109.9	C114 V115 P170 Q173 C175	I88-C114 CarbonylContact O-C 3.55Å; I88-C114 VanDerWaalsContact O-CA 3.29Å; I88-C114 WeakPolarHBondContact O-CA 3.25Å; I88-V115 HydrophobicContact CB-CG2 4.21Å; I88-V115 HydrophobicContact CG2-CG2 4.29Å; I88-V115 PolarHBondContact N-O 3.25Å; I88-V115 PolarHBondContact O-N 3.47Å; I88-P170 HydrophobicContact CD1-CB 3.98Å; I88-P170 HydrophobicContact CG1-CB 4.35Å; I88-Q173 CarbonylContact C-O 3.39Å; I88-Q173 WeakPolarHBondContact CA-O 3.39Å; I88-C175 WeakPolarHBondContact CG2-SG 3.35Å
89	L	86.2	Confident	77.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.9	176.5	-166.5	78.5	0	0	0	111.3	P68 D70 Q112 Q173 R174 C175	P68-L89 HydrophobicContact CB-CB 3.94Å; P68-L89 HydrophobicContact CB-CD1 4.43Å; P68-L89 HydrophobicContact CB-CD2 3.93Å; P68-L89 HydrophobicContact CB-CG 4.34Å; P68-L89 HydrophobicContact CG-CB 4.26Å; D70-L89 HydrophobicContact CB-CD1 4.36Å; L89-Q112 HydrophobicContact CD1-CB 4.06Å; L89-Q112 HydrophobicContact CD2-CB 4.42Å; L89-Q112 HydrophobicContact CG-CB 4.31Å; L89-Q173 PolarHBondContact N-O 2.98Å; L89-R174 HydrophobicContact CB-CG 4.11Å; L89-R174 HydrophobicContact CD2-CG 4.49Å; L89-R174 CarbonylContact O-C 3.59Å; L89-R174 VanDerWaalsContact O-CA 3.25Å; L89-R174 WeakPolarHBondContact O-CA 3.34Å; L89-C175 PolarHBondContact O-N 3.07Å
90	F	86.8	Confident	76.5	Confident	10 Å²	10	52.3 Å²	52.3	4%	0.044	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.3	177.6	174	-107.8	0	0	0	110.8	F92 Q112 L113 V115 P119 F140 P162 L165 C175	F90-F92 HydrophobicContact CD1-CD1 4.02Å; F90-F92 HydrophobicContact CD1-CE1 4.21Å; F90-F92 AromaticContact CE1-CD1 3.93Å; F90-F92 HydrophobicContact CE1-CD1 3.93Å; F90-F92 HydrophobicContact CE1-CE1 4.3Å; F90-Q112 CarbonylContact O-C 3.52Å; F90-Q112 VanDerWaalsContact O-CA 3.29Å; F90-Q112 WeakPolarHBondContact O-CA 3.45Å; F90-L113 PolarHBondContact N-O 3.03Å; F90-L113 PolarHBondContact O-N 3.22Å; F90-V115 HydrophobicContact CB-CG1 3.98Å; F90-V115 HydrophobicContact CB-CG2 3.86Å; F90-P119 HydrophobicContact CD2-CG 4.32Å; F90-P119 HydrophobicContact CE2-CG 3.86Å; F90-F140 HydrophobicContact CD1-CB 4.46Å; F90-F140 HydrophobicContact CD1-CD1 4.11Å; F90-F140 HydrophobicContact CE1-CB 4.13Å; F90-F140 HydrophobicContact CE1-CD1 4.23Å; F90-F140 HydrophobicContact CG-CD1 4.27Å; F90-P162 HydrophobicContact CE1-CB 4.31Å; F90-P162 HydrophobicContact CE1-CG 4.14Å; F90-P162 HydrophobicContact CZ-CB 4.49Å; F90-L165 HydrophobicContact CE1-CD2 4.19Å; F90-L165 HydrophobicContact CZ-CD2 3.71Å; F90-C175 HydrophobicContact CD2-CB 4.07Å
91	Y	84.6	Confident	75.1	Confident	14 Å²	14	47 Å²	47	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.7	178.5	-61.9	-89.4	0	0	0	110.3	M94 C108 T110 Q112 R174	Y91-M94 HydrophobicContact CD2-CE 3.68Å; Y91-M94 HydrophobicContact CE2-CE 4.18Å; Y91-M94 HydrophobicContact CG-CE 4.35Å; Y91-C108 HydrophobicContact CD1-CB 4.45Å; Y91-C108 HydrophobicContact CE1-CB 4.4Å; Y91-T110 HydrophobicContact CD1-CG2 4.05Å; Y91-Q112 HydrophobicContact CD1-CG 3.66Å; Y91-Q112 HydrophobicContact CE1-CG 3.87Å; Y91-R174 HydrophobicContact CE2-CB 4.45Å; Y91-R174 PolarHBondContact OH-NH1 2.9Å
92	F	82.6	Confident	74	Confident	13 Å²	13	45.5 Å²	45.5	6%	0.057	27%	0.272	C	S	.	.	S	Bend	trans	-68.5	-40.1	-179.8	-83.2	29.8	0	0	0	112.3	F90 T111 L113 F140 K142 E159 P162	F90-F92 HydrophobicContact CD1-CD1 4.02Å; F90-F92 HydrophobicContact CD1-CE1 4.21Å; F90-F92 AromaticContact CE1-CD1 3.93Å; F90-F92 HydrophobicContact CE1-CD1 3.93Å; F90-F92 HydrophobicContact CE1-CE1 4.3Å; F92-T111 WeakPolarHBondContact CB-O 3.49Å; F92-T111 HydrophobicContact CD1-CG2 4.12Å; F92-T111 WeakPolarHBondContact CD1-O 3.26Å; F92-T111 HydrophobicContact CD2-CG2 3.88Å; F92-T111 HydrophobicContact CE1-CG2 4.02Å; F92-T111 HydrophobicContact CE2-CG2 3.76Å; F92-T111 HydrophobicContact CG-CG2 4.06Å; F92-T111 HydrophobicContact CZ-CG2 3.84Å; F92-T111 PolarHBondContact N-O 3.07Å; F92-L113 HydrophobicContact CE1-CB 3.83Å; F92-L113 HydrophobicContact CE1-CD2 4.16Å; F92-L113 HydrophobicContact CZ-CD2 4.48Å; F92-F140 VanDerWaalsContact CE1-O 3.23Å; F92-F140 WeakPolarHBondContact CE1-O 3.43Å; F92-F140 VanDerWaalsContact CZ-O 3.24Å; F92-F140 WeakPolarHBondContact CZ-O 3.1Å; F92-K142 HydrophobicContact CZ-CG 4.43Å; F92-E159 HydrophobicContact CD2-CB 4.32Å; F92-E159 WeakPolarHBondContact CE2-O 3.38Å; F92-P162 HydrophobicContact CB-CB 4.4Å; F92-P162 HydrophobicContact CG-CB 4.31Å
93	N	76.8	Confident	72.4	Confident	37 Å²	37	48 Å²	48	20%	0.198	28%	0.278	C	S	.	.			trans	-142.1	99.6	174.6	-171.3	-17.6	0	0	0	111.1	L95 K96 T110	N93-L95 VanDerWaalsContact C-N 3.27Å; N93-L95 PolarHBondContact O-N 3.44Å; N93-L95 VanDerWaalsContact OD1-CB 3.3Å; N93-L95 WeakPolarHBondContact OD1-CB 3.3Å; N93-L95 PolarHBondContact OD1-N 3.2Å; N93-K96 HydrophobicContact CB-CD 4.43Å; N93-K96 HydrophobicContact CB-CG 4.37Å; N93-K96 PolarHBondContact O-N 3.13Å; N93-T110 PolarHBondContact N-OG1 2.96Å
94	M	75	Confident	70.5	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.079	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-69.1	-21.8	179.4	-169.8	171.3	-78.7	0	0	113	Y91 K96 C97 C175 F176 P177 L207 A211 I214	Y91-M94 HydrophobicContact CD2-CE 3.68Å; Y91-M94 HydrophobicContact CE2-CE 4.18Å; Y91-M94 HydrophobicContact CG-CE 4.35Å; M94-K96 VanDerWaalsContact C-N 3.27Å; M94-K96 PolarHBondContact O-N 3.29Å; M94-C97 WeakPolarHBondContact O-CB 3.33Å; M94-C97 PolarHBondContact O-N 3.15Å; M94-C175 WeakPolarHBondContact CE-O 3.26Å; M94-F176 HydrophobicContact CE-CD1 4.01Å; M94-F176 HydrophobicContact CE-CE1 4.06Å; M94-F176 HydrophobicContact SD-CD1 4.32Å; M94-F176 HydrophobicContact SD-CE1 4.46Å; M94-P177 VanDerWaalsContact SD-CD 3.59Å; M94-P177 HydrophobicContact SD-CG 3.96Å; M94-L207 HydrophobicContact CB-CD1 4.31Å; M94-A211 HydrophobicContact SD-CB 3.73Å; M94-I214 HydrophobicContact CG-CD1 4.14Å
95	L	72.9	Confident	68.9	Low	23 Å²	23	56.1 Å²	56.1	12%	0.12	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-65.9	-31.5	179.2	-64.2	163.5	0	0	0	112	N93 C97 A98 W202 D206 L207	N93-L95 VanDerWaalsContact C-N 3.27Å; N93-L95 PolarHBondContact O-N 3.44Å; N93-L95 VanDerWaalsContact OD1-CB 3.3Å; N93-L95 WeakPolarHBondContact OD1-CB 3.3Å; N93-L95 PolarHBondContact OD1-N 3.2Å; L95-C97 PolarHBondContact O-N 3Å; L95-C97 VanDerWaalsContact O-N 3.14Å; L95-A98 PolarHBondContact O-N 2.51Å; L95-W202 HydrophobicContact CD1-CB 4.15Å; L95-W202 HydrophobicContact CD1-CD2 4.41Å; L95-W202 HydrophobicContact CD1-CG 3.99Å; L95-D206 HydrophobicContact CD2-CB 4.44Å; L95-L207 HydrophobicContact CD2-CB 3.93Å; L95-L207 HydrophobicContact CD2-CD1 3.89Å; L95-L207 HydrophobicContact CG-CD1 4.07Å
96	K	71.8	Confident	67.4	Low	89 Å²	89	55.5 Å²	55.5	39%	0.387	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-65.8	-12.5	173.7	-66	-173.4	-178.3	179.2	0	113	N93 M94 P109 E159	N93-K96 HydrophobicContact CB-CD 4.43Å; N93-K96 HydrophobicContact CB-CG 4.37Å; N93-K96 PolarHBondContact O-N 3.13Å; M94-K96 VanDerWaalsContact C-N 3.27Å; M94-K96 PolarHBondContact O-N 3.29Å; K96-P109 HydrophobicContact CB-CG 4.35Å; K96-E159 IonicContact NZ-OE1 2.69Å; K96-E159 PolarHBondContact NZ-OE1 3.04Å
97	C	68.6	Low	66.1	Low	7 Å²	7	54.1 Å²	54.1	5%	0.047	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-83.1	-7.4	178.2	-61.3	0	0	0	0	114.5	M94 L95 S99 V102 C108 I214	M94-C97 WeakPolarHBondContact O-CB 3.33Å; M94-C97 PolarHBondContact O-N 3.15Å; L95-C97 PolarHBondContact O-N 3Å; L95-C97 VanDerWaalsContact O-N 3.14Å; C97-S99 PolarHBondContact O-N 2.64Å; C97-S99 VanDerWaalsContact O-N 3.17Å; C97-V102 WeakPolarHBondContact O-CG2 3.01Å; C97-C108 HydrophobicContact CB-CB 4.08Å; C97-C108 WeakPolarHBondContact CB-SG 3.27Å; C97-C108 WeakPolarHBondContact SG-CB 3.47Å; C97-C108 CovalentContact SG-SG 2.03Å; C97-C108 PolarHBondContact SG-SG 2.95Å; C97-I214 HydrophobicContact CB-CD1 3.54Å; C97-I214 HydrophobicContact CB-CG1 4.17Å; C97-I214 VanDerWaalsContact SG-CD1 3.56Å
98	A	61	Low	65.2	Low	66 Å²	66	51.1 Å²	51.1	55%	0.545	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-70.6	-6.9	-174.4	0	0	0	0	0	114.7	L95 A210	L95-A98 PolarHBondContact O-N 2.51Å; A98-A210 HydrophobicContact CB-CB 3.94Å
99	S	59.4	Low	64.4	Low	52 Å²	52	53.6 Å²	53.6	36%	0.364	31%	0.308	S	S	.	.	S	Bend	trans	-77.1	142.4	-176.4	73.5	0	0	0	0	113	C97 A101 V102	C97-S99 PolarHBondContact O-N 2.64Å; C97-S99 VanDerWaalsContact O-N 3.17Å; S99-A101 PolarHBondContact O-N 3.42Å; S99-V102 WeakPolarHBondContact O-CB 3.44Å; S99-V102 PolarHBondContact O-N 3.27Å
100	P	49.6	Very low	63.9	Low	111 Å²	111	53.9 Å²	53.9	72%	0.721	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21	178.1	-23.6	32.3	0	0	0	114.4	V102 L103	P100-V102 VanDerWaalsContact C-N 3.25Å; P100-V102 PolarHBondContact O-N 3.11Å; P100-L103 WeakPolarHBondContact O-CB 3.42Å; P100-L103 PolarHBondContact O-N 3.42Å
101	A	47.2	Very low	63.6	Low	55 Å²	55	53.6 Å²	53.6	46%	0.455	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.2	176.9	0	0	0	0	0	113	S99 L103 I104 N105	S99-A101 PolarHBondContact O-N 3.42Å; A101-L103 VanDerWaalsContact C-N 3.28Å; A101-L103 PolarHBondContact O-N 3.16Å; A101-I104 PolarHBondContact O-N 2.84Å; A101-N105 PolarHBondContact O-N 3.02Å
102	V	53.9	Low	63.6	Low	18 Å²	18	53.6 Å²	53.6	11%	0.109	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-30.3	177.3	-179.5	0	0	0	0	111.4	C97 S99 P100 I104 L106	C97-V102 WeakPolarHBondContact O-CG2 3.01Å; S99-V102 WeakPolarHBondContact O-CB 3.44Å; S99-V102 PolarHBondContact O-N 3.27Å; P100-V102 VanDerWaalsContact C-N 3.25Å; P100-V102 PolarHBondContact O-N 3.11Å; V102-I104 VanDerWaalsContact C-N 3.27Å; V102-I104 PolarHBondContact O-N 3.35Å; V102-L106 WeakPolarHBondContact O-CA 3.45Å; V102-L106 PolarHBondContact O-N 3.32Å
103	L	43.8	Very low	63.9	Low	137 Å²	137	53.7 Å²	53.7	72%	0.717	31%	0.31	S	S	*	.	H	α-helix	trans	-67.9	-27	177.5	-133.6	87.4	0	0	0	112.9	P100 A101	P100-L103 WeakPolarHBondContact O-CB 3.42Å; P100-L103 PolarHBondContact O-N 3.42Å; A101-L103 VanDerWaalsContact C-N 3.28Å; A101-L103 PolarHBondContact O-N 3.16Å
104	I	39.8	Very low	64.5	Low	136 Å²	136	51.9 Å²	51.9	70%	0.697	30%	0.301	S	S	*	.	H	α-helix	trans	-88.1	-38.5	-175.8	-60.8	173.5	0	0	0	110.9	A101 V102	A101-I104 PolarHBondContact O-N 2.84Å; V102-I104 VanDerWaalsContact C-N 3.27Å; V102-I104 PolarHBondContact O-N 3.35Å
105	N	45.5	Very low	65.2	Low	97 Å²	97	51.4 Å²	51.4	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-100.8	-4.4	-175.7	-66.3	-28.3	0	0	0	114	A101 Q107	A101-N105 PolarHBondContact O-N 3.02Å; N105-Q107 HydrophobicContact CB-CB 4.5Å; N105-Q107 PolarHBondContact O-N 3.39Å
106	L	52.3	Low	65.8	Low	126 Å²	126	53.7 Å²	53.7	66%	0.66	32%	0.317	S	S	*	.	S	Bend	trans	53.9	13.9	-171.9	-83.5	107.4	0	0	0	114.9	V102 L217	V102-L106 WeakPolarHBondContact O-CA 3.45Å; V102-L106 PolarHBondContact O-N 3.32Å; L106-L217 HydrophobicContact CD2-CD2 3.68Å; L106-L217 HydrophobicContact CG-CD2 4.36Å
107	Q	58.3	Low	66.6	Low	41 Å²	41	55.4 Å²	55.4	19%	0.192	32%	0.324	C	S	.	.			trans	-125.2	120.3	-170.5	-156.7	115.9	-13.6	0	0	109.8	N105 F433 A434	N105-Q107 HydrophobicContact CB-CB 4.5Å; N105-Q107 PolarHBondContact O-N 3.39Å; Q107-F433 VanDerWaalsContact NE2-C 3.31Å; Q107-F433 PolarHBondContact NE2-O 3.02Å; Q107-A434 PolarHBondContact NE2-O 3.39Å; Q107-A434 PolarHBondContact OE1-O 2.98Å
108	C	68.1	Low	67.5	Low	9 Å²	9	55.4 Å²	55.4	6%	0.061	32%	0.324	C	S	.	.			trans	-77.1	140.4	170.3	-68.1	0	0	0	0	110.4	Y91 C97 T110	Y91-C108 HydrophobicContact CD1-CB 4.45Å; Y91-C108 HydrophobicContact CE1-CB 4.4Å; C97-C108 HydrophobicContact CB-CB 4.08Å; C97-C108 WeakPolarHBondContact CB-SG 3.27Å; C97-C108 WeakPolarHBondContact SG-CB 3.47Å; C97-C108 CovalentContact SG-SG 2.03Å; C97-C108 PolarHBondContact SG-SG 2.95Å; C108-T110 HydrophobicContact CB-CG2 3.88Å; C108-T110 PolarHBondContact O-N 3.05Å
109	P	69.1	Low	68.8	Low	69 Å²	69	52.2 Å²	52.2	45%	0.448	30%	0.298	S	S	.	.	S	Bend	trans	-77.8	57.2	173.2	34.6	-35.4	0	0	0	110.9	K96	K96-P109 HydrophobicContact CB-CG 4.35Å
110	T	74.3	Confident	70	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.037	30%	0.302	C	S	.	.	S	Bend	trans	-144.6	151.2	175.2	-168	0	0	0	0	109.8	Y91 N93 C108 Q112	Y91-T110 HydrophobicContact CD1-CG2 4.05Å; N93-T110 PolarHBondContact N-OG1 2.96Å; C108-T110 HydrophobicContact CB-CG2 3.88Å; C108-T110 PolarHBondContact O-N 3.05Å; T110-Q112 PolarHBondContact O-N 3.46Å
111	T	81.4	Confident	71.6	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.025	29%	0.289	C	S	.	.			trans	-57	129.2	170.7	-60.3	0	0	0	0	111.1	F92 E159 M432	F92-T111 WeakPolarHBondContact CB-O 3.49Å; F92-T111 HydrophobicContact CD1-CG2 4.12Å; F92-T111 WeakPolarHBondContact CD1-O 3.26Å; F92-T111 HydrophobicContact CD2-CG2 3.88Å; F92-T111 HydrophobicContact CE1-CG2 4.02Å; F92-T111 HydrophobicContact CE2-CG2 3.76Å; F92-T111 HydrophobicContact CG-CG2 4.06Å; F92-T111 HydrophobicContact CZ-CG2 3.84Å; F92-T111 PolarHBondContact N-O 3.07Å; T111-E159 WeakPolarHBondContact CB-OE2 3.49Å; T111-E159 PolarHBondContact N-OE2 2.89Å; T111-E159 WeakPolarHBondContact OG1-CB 3.35Å; T111-E159 PolarHBondContact OG1-OE2 3.38Å; T111-M432 HydrophobicContact CG2-CE 4Å; T111-M432 WeakPolarHBondContact OG1-CE 3.24Å
112	Q	85.2	Confident	73.3	Confident	13 Å²	13	54.1 Å²	54.1	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130	178.9	-68.5	167.1	68.6	0	0	108.4	D70 S71 L89 F90 Y91 T110	D70-Q112 WeakPolarHBondContact CB-O 3.35Å; S71-Q112 PolarHBondContact N-O 3.12Å; S71-Q112 PolarHBondContact OG-N 2.68Å; L89-Q112 HydrophobicContact CD1-CB 4.06Å; L89-Q112 HydrophobicContact CD2-CB 4.42Å; L89-Q112 HydrophobicContact CG-CB 4.31Å; F90-Q112 CarbonylContact O-C 3.52Å; F90-Q112 VanDerWaalsContact O-CA 3.29Å; F90-Q112 WeakPolarHBondContact O-CA 3.45Å; Y91-Q112 HydrophobicContact CD1-CG 3.66Å; Y91-Q112 HydrophobicContact CE1-CG 3.87Å; T110-Q112 PolarHBondContact O-N 3.46Å
113	L	88.2	Confident	74.5	Confident	15 Å²	15	54.1 Å²	54.1	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.7	-173.9	-176.4	69.1	0	0	0	110.7	F90 F92 V115 C141	F90-L113 PolarHBondContact N-O 3.03Å; F90-L113 PolarHBondContact O-N 3.22Å; F92-L113 HydrophobicContact CE1-CB 3.83Å; F92-L113 HydrophobicContact CE1-CD2 4.16Å; F92-L113 HydrophobicContact CZ-CD2 4.48Å; L113-V115 HydrophobicContact CD2-CG1 4.24Å; L113-V115 HydrophobicContact CG-CG1 4.38Å; L113-C141 WeakPolarHBondContact CD2-O 3.39Å
114	C	89.1	Confident	76.1	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.6	169	-57.8	0	0	0	0	110.1	C76 N83 K86 I88	C76-C114 WeakPolarHBondContact CA-SG 3.32Å; C76-C114 HydrophobicContact CB-CB 3.83Å; C76-C114 WeakPolarHBondContact CB-SG 3.31Å; C76-C114 WeakPolarHBondContact SG-CB 3.41Å; C76-C114 CovalentContact SG-SG 2.04Å; C76-C114 PolarHBondContact SG-SG 3.47Å; N83-C114 HydrophobicContact CB-CB 4.2Å; N83-C114 PolarHBondContact ND2-SG 3.01Å; K86-C114 HydrophobicContact CB-CB 3.89Å; K86-C114 WeakPolarHBondContact CD-O 3.32Å; I88-C114 CarbonylContact O-C 3.55Å; I88-C114 VanDerWaalsContact O-CA 3.29Å; I88-C114 WeakPolarHBondContact O-CA 3.25Å
115	V	89	Confident	77.7	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	158.6	178.5	-62.2	0	0	0	0	110.7	K86 N87 I88 F90 L113 F140	K86-V115 CarbonylContact C-O 3.48Å; K86-V115 WeakPolarHBondContact CA-O 3.39Å; N87-V115 PolarHBondContact N-O 3.37Å; I88-V115 HydrophobicContact CB-CG2 4.21Å; I88-V115 HydrophobicContact CG2-CG2 4.29Å; I88-V115 PolarHBondContact N-O 3.25Å; I88-V115 PolarHBondContact O-N 3.47Å; F90-V115 HydrophobicContact CB-CG1 3.98Å; F90-V115 HydrophobicContact CB-CG2 3.86Å; L113-V115 HydrophobicContact CD2-CG1 4.24Å; L113-V115 HydrophobicContact CG-CG1 4.38Å; V115-F140 HydrophobicContact CG1-CD1 3.97Å; V115-F140 HydrophobicContact CG1-CE1 4.23Å
116	S	86.8	Confident	78.7	Confident	72 Å²	72	41.5 Å²	41.5	50%	0.503	22%	0.222	S	C	.	.	S	Bend	trans	-85.4	-30.3	176.7	53.1	0	0	0	0	113	N85	N85-S116 WeakPolarHBondContact O-CB 3.36Å
117	K	88.3	Confident	79.4	Confident	124 Å²	124	40.2 Å²	40.2	54%	0.539	22%	0.216	S	C	.	.	S	Bend	trans	-141.1	141.8	178.6	-164.6	-171.7	178.2	-163.8	0	109.3	D120	K117-D120 IonicContact NZ-OD2 2.77Å; K117-D120 PolarHBondContact NZ-OD2 3.13Å
118	C	87.9	Confident	79.7	Confident	7 Å²	7	38.8 Å²	38.8	5%	0.047	21%	0.21	C	C	.	.			trans	-68	152.5	170.9	-67.6	0	0	0	0	111.2	D120 S168 C175	C118-D120 PolarHBondContact O-N 3.19Å; C118-S168 VanDerWaalsContact CB-O 3.27Å; C118-S168 WeakPolarHBondContact CB-O 3.48Å; C118-C175 WeakPolarHBondContact CA-SG 3.35Å; C118-C175 HydrophobicContact CB-CB 3.93Å; C118-C175 WeakPolarHBondContact CB-SG 3.49Å; C118-C175 WeakPolarHBondContact SG-CA 3.48Å; C118-C175 WeakPolarHBondContact SG-CB 3.41Å; C118-C175 CovalentContact SG-SG 2.05Å; C118-C175 PolarHBondContact SG-SG 2.87Å
119	P	87.9	Confident	79.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.			trans	-60.3	130.6	175.5	24.7	-33.1	0	0	0	110.4	F90 Y136 F140 L165 V166 P167 S168	F90-P119 HydrophobicContact CD2-CG 4.32Å; F90-P119 HydrophobicContact CE2-CG 3.86Å; P119-Y136 WeakPolarHBondContact CA-OH 3.35Å; P119-F140 HydrophobicContact CB-CE1 4.14Å; P119-F140 HydrophobicContact CB-CE2 4.33Å; P119-F140 HydrophobicContact CB-CZ 3.87Å; P119-F140 HydrophobicContact CG-CE1 4.27Å; P119-F140 HydrophobicContact CG-CZ 4.49Å; P119-L165 HydrophobicContact CB-CB 4.2Å; P119-V166 VanDerWaalsContact CG-O 3.28Å; P119-V166 WeakPolarHBondContact CG-O 3.4Å; P119-P167 CarbonylContact O-C 3.45Å; P119-P167 WeakPolarHBondContact O-CA 3.34Å; P119-S168 PolarHBondContact O-N 2.97Å
120	D	84.9	Confident	78.7	Confident	82 Å²	82	43.2 Å²	43.2	44%	0.439	25%	0.248	S	C	.	.			trans	-103	-17	-178.1	49.6	11	0	0	0	113.2	K117 C118 Y136	K117-D120 IonicContact NZ-OD2 2.77Å; K117-D120 PolarHBondContact NZ-OD2 3.13Å; C118-D120 PolarHBondContact O-N 3.19Å; D120-Y136 PolarHBondContact N-OH 2.97Å; D120-Y136 VanDerWaalsContact N-OH 3.1Å; D120-Y136 WeakPolarHBondContact OD1-CE2 3.28Å; D120-Y136 PolarHBondContact OD1-OH 3.34Å
121	R	82.6	Confident	78	Confident	120 Å²	120	48.5 Å²	48.5	45%	0.453	28%	0.276	S	S	.	.	S	Bend	trans	-127	153	177	57.2	-179.2	164.5	-175.7	-4.9	112.5	Y136	R121-Y136 HydrophobicContact CG-CD1 4.4Å; R121-Y136 HydrophobicContact CG-CE1 3.57Å; R121-Y136 HydrophobicContact CG-CE2 4.37Å; R121-Y136 PolarHBondContact N-OH 2.9Å; R121-Y136 VanDerWaalsContact NH2-CD2 3.32Å
122	F	82.4	Confident	77.1	Confident	55 Å²	55	56.6 Å²	56.6	24%	0.241	32%	0.319	C	S	.	.			trans	-77.2	131.6	174.5	-174.8	-98.2	0	0	0	110.7	T124 M164 L165 V166 P167 A189 F194	F122-T124 HydrophobicContact CE1-CG2 3.83Å; F122-T124 HydrophobicContact CZ-CG2 3.9Å; F122-M164 HydrophobicContact CE2-CB 4.44Å; F122-M164 HydrophobicContact CE2-SD 4.24Å; F122-L165 VanDerWaalsContact CA-O 3.28Å; F122-L165 WeakPolarHBondContact CA-O 3.42Å; F122-L165 WeakPolarHBondContact CD2-O 3.35Å; F122-V166 HydrophobicContact CD2-CG2 4.45Å; F122-V166 HydrophobicContact CE2-CG2 4.38Å; F122-P167 HydrophobicContact CB-CG 4.23Å; F122-A189 HydrophobicContact CB-CB 3.48Å; F122-A189 VanDerWaalsContact CB-CB 3.48Å; F122-A189 HydrophobicContact CD2-CB 4.1Å; F122-A189 HydrophobicContact CG-CB 3.82Å; F122-F194 HydrophobicContact CE2-CE1 4.17Å
123	A	80	Confident	76.4	Confident	19 Å²	19	57.8 Å²	57.8	16%	0.157	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	135.9	176.7	0	0	0	0	0	110.6	V128 Y137 M164 L165	A123-V128 HydrophobicContact CB-CG2 4.46Å; A123-Y137 HydrophobicContact CB-CD2 4.08Å; A123-Y137 HydrophobicContact CB-CE2 4.21Å; A123-M164 CarbonylContact O-C 3.49Å; A123-M164 WeakPolarHBondContact O-CA 3.45Å; A123-L165 HydrophobicContact CB-CB 4.39Å; A123-L165 HydrophobicContact CB-CD1 4.39Å; A123-L165 PolarHBondContact N-O 3.27Å; A123-L165 VanDerWaalsContact N-O 3.17Å; A123-L165 PolarHBondContact O-N 2.92Å
124	T	77.9	Confident	75.8	Confident	29 Å²	29	59.8 Å²	59.8	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	148.2	174.1	54	0	0	0	0	110.4	F122 S126 N127 V128 M164	F122-T124 HydrophobicContact CE1-CG2 3.83Å; F122-T124 HydrophobicContact CZ-CG2 3.9Å; T124-S126 PolarHBondContact O-N 3.23Å; T124-S126 VanDerWaalsContact O-N 3.16Å; T124-S126 PolarHBondContact OG1-OG 2.94Å; T124-N127 PolarHBondContact O-N 2.78Å; T124-N127 WeakPolarHBondContact OG1-CB 3.28Å; T124-N127 PolarHBondContact OG1-ND2 2.91Å; T124-N127 PolarHBondContact OG1-OD1 2.99Å; T124-V128 WeakPolarHBondContact O-CG2 3.49Å; T124-V128 PolarHBondContact O-N 3.41Å; T124-M164 HydrophobicContact CG2-CB 4.14Å
125	L	73.3	Confident	75.4	Confident	6 Å²	6	67.6 Å²	67.6	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-56.3	-33.7	179.7	-174.6	63.3	0	0	0	112.3	Y137 V152 V155 I156 C161 L163	L125-Y137 HydrophobicContact CD1-CD1 4.34Å; L125-Y137 HydrophobicContact CD1-CE1 3.65Å; L125-V152 HydrophobicContact CD2-CG1 4.01Å; L125-V152 HydrophobicContact CG-CG1 4.46Å; L125-V155 HydrophobicContact CD2-CB 4.34Å; L125-V155 HydrophobicContact CD2-CG1 3.87Å; L125-I156 HydrophobicContact CD2-CD1 4.39Å; L125-I156 HydrophobicContact CD2-CG1 3.97Å; L125-C161 HydrophobicContact CD1-CB 4.43Å; L125-L163 PolarHBondContact N-O 3.28Å
126	S	66.7	Low	75.1	Confident	69 Å²	69	68.7 Å²	68.7	48%	0.483	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-41.7	176.1	60.7	0	0	0	0	113.1	T124 S129	T124-S126 PolarHBondContact O-N 3.23Å; T124-S126 VanDerWaalsContact O-N 3.16Å; T124-S126 PolarHBondContact OG1-OG 2.94Å; S126-S129 PolarHBondContact O-OG 2.96Å
127	N	65.4	Low	74.9	Confident	100 Å²	100	65.3 Å²	65.3	54%	0.535	35%	0.352	S	S	.	.	H	α-helix	trans	-80.5	-24.5	-173	-67.6	10.2	0	0	0	112	T124 S129 A130 D131	T124-N127 PolarHBondContact O-N 2.78Å; T124-N127 WeakPolarHBondContact OG1-CB 3.28Å; T124-N127 PolarHBondContact OG1-ND2 2.91Å; T124-N127 PolarHBondContact OG1-OD1 2.99Å; N127-S129 PolarHBondContact O-N 2.74Å; N127-A130 PolarHBondContact O-N 2.99Å; N127-A130 VanDerWaalsContact O-N 3.08Å; N127-D131 PolarHBondContact O-N 3.41Å
128	V	65.3	Low	74.7	Confident	11 Å²	11	66.4 Å²	66.4	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-28.8	177.4	175.5	0	0	0	0	112	A123 T124 A130 W134 Y137	A123-V128 HydrophobicContact CB-CG2 4.46Å; T124-V128 WeakPolarHBondContact O-CG2 3.49Å; T124-V128 PolarHBondContact O-N 3.41Å; V128-A130 PolarHBondContact O-N 3.34Å; V128-W134 HydrophobicContact CG1-CB 4.28Å; V128-W134 HydrophobicContact CG1-CE3 3.89Å; V128-Y137 HydrophobicContact CG1-CG 4.34Å; V128-Y137 HydrophobicContact CG2-CD2 3.47Å; V128-Y137 VanDerWaalsContact CG2-CD2 3.47Å; V128-Y137 HydrophobicContact CG2-CE2 3.99Å; V128-Y137 HydrophobicContact CG2-CG 3.81Å
129	S	58.6	Low	74.5	Confident	82 Å²	82	71.1 Å²	71.1	57%	0.573	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.8	173.9	73.1	0	0	0	0	113.7	S126 N127	S126-S129 PolarHBondContact O-OG 2.96Å; N127-S129 PolarHBondContact O-N 2.74Å
130	A	57.4	Low	74.4	Confident	88 Å²	88	71.2 Å²	71.2	73%	0.727	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-20.3	-173.8	0	0	0	0	0	114.2	N127 V128	N127-A130 PolarHBondContact O-N 2.99Å; N127-A130 VanDerWaalsContact O-N 3.08Å; V128-A130 PolarHBondContact O-N 3.34Å
131	D	59.3	Low	74.4	Confident	118 Å²	118	67.7 Å²	67.7	63%	0.631	36%	0.356	S	S	*	.	S	Bend	trans	-138.2	52.8	-162.9	-163.5	21.3	0	0	0	112.9	N127 S133	N127-D131 PolarHBondContact O-N 3.41Å; D131-S133 WeakPolarHBondContact O-CA 3.42Å; D131-S133 VanDerWaalsContact O-CB 3.23Å; D131-S133 WeakPolarHBondContact O-CB 3.39Å; D131-S133 PolarHBondContact O-N 2.93Å; D131-S133 PolarHBondContact O-OG 3.45Å
132	N	62.8	Low	74.4	Confident	173 Å²	173	63.6 Å²	63.6	93%	0.925	34%	0.342	S	S	*	.	S	Bend	trans	35.9	17.7	168.7	-105.3	7.4	0	0	0	119.3	W134	N132-W134 VanDerWaalsContact C-N 3.31Å; N132-W134 PolarHBondContact O-N 3.27Å
133	S	69.8	Low	74	Confident	38 Å²	38	66.5 Å²	66.5	27%	0.266	37%	0.366	S	S	.	.			trans	-97.2	16.9	-168.6	-66.3	0	0	0	0	111.9	D131 E135 Y136 Y137	D131-S133 WeakPolarHBondContact O-CA 3.42Å; D131-S133 VanDerWaalsContact O-CB 3.23Å; D131-S133 WeakPolarHBondContact O-CB 3.39Å; D131-S133 PolarHBondContact O-N 2.93Å; D131-S133 PolarHBondContact O-OG 3.45Å; S133-E135 VanDerWaalsContact C-N 3.29Å; S133-E135 PolarHBondContact O-N 3.38Å; S133-Y136 PolarHBondContact O-N 3.21Å; S133-Y137 PolarHBondContact O-N 3.48Å
134	W	77.1	Confident	73.6	Confident	57 Å²	57	69.2 Å²	69.2	22%	0.216	40%	0.395	C	S	.	.	H	α-helix	trans	-59.3	-38.5	-176.4	176.5	-117.6	0	0	0	112.1	V128 N132 Y136 Y137 R138 F145 F147	V128-W134 HydrophobicContact CG1-CB 4.28Å; V128-W134 HydrophobicContact CG1-CE3 3.89Å; N132-W134 VanDerWaalsContact C-N 3.31Å; N132-W134 PolarHBondContact O-N 3.27Å; W134-Y136 VanDerWaalsContact C-N 3.25Å; W134-Y136 PolarHBondContact O-N 2.9Å; W134-Y137 AromaticContact CZ3-CD1 3.98Å; W134-Y137 HydrophobicContact CZ3-CD1 3.98Å; W134-Y137 PolarHBondContact O-N 3.12Å; W134-Y137 VanDerWaalsContact O-N 3.16Å; W134-R138 HydrophobicContact CD2-CB 4.43Å; W134-R138 HydrophobicContact CZ2-CB 4.1Å; W134-R138 HydrophobicContact CZ2-CG 4.1Å; W134-R138 WeakPolarHBondContact O-CB 3.45Å; W134-R138 PolarHBondContact O-N 3.23Å; W134-F145 AromaticContact CH2-CD1 3.76Å; W134-F145 HydrophobicContact CH2-CD1 3.76Å; W134-F145 AromaticContact CH2-CE1 3.66Å; W134-F145 HydrophobicContact CH2-CE1 3.66Å; W134-F145 HydrophobicContact CZ2-CD1 4.16Å; W134-F145 HydrophobicContact CZ2-CE1 4.29Å; W134-F147 HydrophobicContact CD2-CB 3.96Å; W134-F147 HydrophobicContact CD2-CD2 4.14Å; W134-F147 HydrophobicContact CD2-CG 4.16Å; W134-F147 HydrophobicContact CE3-CB 4.25Å; W134-F147 AromaticContact CE3-CD2 3.6Å; W134-F147 HydrophobicContact CE3-CD2 3.6Å; W134-F147 HydrophobicContact CE3-CE2 4.21Å; W134-F147 HydrophobicContact CE3-CG 4.09Å; W134-F147 HydrophobicContact CH2-CB 4.01Å; W134-F147 AromaticContact CH2-CD2 3.87Å; W134-F147 HydrophobicContact CH2-CD2 3.87Å; W134-F147 HydrophobicContact CH2-CG 4.4Å; W134-F147 HydrophobicContact CZ2-CB 3.64Å; W134-F147 HydrophobicContact CZ2-CD2 4.35Å; W134-F147 HydrophobicContact CZ2-CG 4.43Å; W134-F147 HydrophobicContact CZ3-CB 4.28Å; W134-F147 AromaticContact CZ3-CD2 3.45Å; W134-F147 HydrophobicContact CZ3-CD2 3.45Å; W134-F147 VanDerWaalsContact CZ3-CD2 3.45Å; W134-F147 HydrophobicContact CZ3-CE2 4.17Å; W134-F147 HydrophobicContact CZ3-CG 4.21Å
135	E	79.3	Confident	73.6	Confident	164 Å²	164	68.8 Å²	68.8	77%	0.766	39%	0.391	S	S	*	.	H	α-helix	trans	-59.2	-35.5	179.1	-71.7	-168.2	159.6	0	0	113.4	S133	S133-E135 VanDerWaalsContact C-N 3.29Å; S133-E135 PolarHBondContact O-N 3.38Å
136	Y	82.5	Confident	73.5	Confident	29 Å²	29	75.2 Å²	75.2	11%	0.114	42%	0.421	C	S	.	.	H	α-helix	trans	-75	-45.1	175.3	172	-98	0	0	0	111.3	P119 D120 R121 S133 W134 R138 Q139 F140 L165	P119-Y136 WeakPolarHBondContact CA-OH 3.35Å; D120-Y136 PolarHBondContact N-OH 2.97Å; D120-Y136 VanDerWaalsContact N-OH 3.1Å; D120-Y136 WeakPolarHBondContact OD1-CE2 3.28Å; D120-Y136 PolarHBondContact OD1-OH 3.34Å; R121-Y136 HydrophobicContact CG-CD1 4.4Å; R121-Y136 HydrophobicContact CG-CE1 3.57Å; R121-Y136 HydrophobicContact CG-CE2 4.37Å; R121-Y136 PolarHBondContact N-OH 2.9Å; R121-Y136 VanDerWaalsContact NH2-CD2 3.32Å; S133-Y136 PolarHBondContact O-N 3.21Å; W134-Y136 VanDerWaalsContact C-N 3.25Å; W134-Y136 PolarHBondContact O-N 2.9Å; Y136-R138 VanDerWaalsContact C-N 3.34Å; Y136-R138 PolarHBondContact O-N 3.5Å; Y136-Q139 WeakPolarHBondContact O-CB 3.23Å; Y136-Q139 PolarHBondContact O-N 3.43Å; Y136-F140 HydrophobicContact CE1-CE2 4.24Å; Y136-F140 HydrophobicContact CE2-CE2 4.2Å; Y136-F140 AromaticContact CZ-CE2 3.94Å; Y136-L165 HydrophobicContact CD1-CD1 4.45Å; Y136-L165 HydrophobicContact CE1-CD1 3.9Å
137	Y	83.1	Confident	73.7	Confident	1 Å²	1	76.5 Å²	76.5	0%	0.004	42%	0.418	C	S	.	.	H	α-helix	trans	-66.3	-37.1	-177.9	-158.7	-89.8	0	0	0	112.7	A123 L125 V128 S133 W134 Q139 F140 C161 P162 L163 L165	A123-Y137 HydrophobicContact CB-CD2 4.08Å; A123-Y137 HydrophobicContact CB-CE2 4.21Å; L125-Y137 HydrophobicContact CD1-CD1 4.34Å; L125-Y137 HydrophobicContact CD1-CE1 3.65Å; V128-Y137 HydrophobicContact CG1-CG 4.34Å; V128-Y137 HydrophobicContact CG2-CD2 3.47Å; V128-Y137 VanDerWaalsContact CG2-CD2 3.47Å; V128-Y137 HydrophobicContact CG2-CE2 3.99Å; V128-Y137 HydrophobicContact CG2-CG 3.81Å; S133-Y137 PolarHBondContact O-N 3.48Å; W134-Y137 AromaticContact CZ3-CD1 3.98Å; W134-Y137 HydrophobicContact CZ3-CD1 3.98Å; W134-Y137 PolarHBondContact O-N 3.12Å; W134-Y137 VanDerWaalsContact O-N 3.16Å; Y137-Q139 PolarHBondContact O-N 2.87Å; Y137-Q139 VanDerWaalsContact O-N 3.1Å; Y137-F140 PolarHBondContact O-N 3.34Å; Y137-C161 HydrophobicContact CE1-CB 4.05Å; Y137-P162 HydrophobicContact CE1-CG 4.43Å; Y137-P162 PolarHBondContact OH-O 3.33Å; Y137-L163 PolarHBondContact OH-O 3.41Å; Y137-L165 HydrophobicContact CD2-CD1 3.42Å; Y137-L165 VanDerWaalsContact CD2-CD1 3.42Å; Y137-L165 HydrophobicContact CD2-CG 3.96Å; Y137-L165 HydrophobicContact CE2-CD1 3.66Å; Y137-L165 HydrophobicContact CE2-CG 3.62Å; Y137-L165 HydrophobicContact CG-CD1 4.21Å
138	R	83.5	Confident	73.9	Confident	147 Å²	147	75 Å²	75	56%	0.555	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-55.5	-28.3	178.5	-173.8	-177.8	-175.3	-158.1	2.8	112.9	W134 Y136 F140 C141	W134-R138 HydrophobicContact CD2-CB 4.43Å; W134-R138 HydrophobicContact CZ2-CB 4.1Å; W134-R138 HydrophobicContact CZ2-CG 4.1Å; W134-R138 WeakPolarHBondContact O-CB 3.45Å; W134-R138 PolarHBondContact O-N 3.23Å; Y136-R138 VanDerWaalsContact C-N 3.34Å; Y136-R138 PolarHBondContact O-N 3.5Å; R138-F140 PolarHBondContact O-N 3.47Å; R138-C141 PolarHBondContact O-N 3.25Å
139	Q	83.9	Confident	74.2	Confident	105 Å²	105	78 Å²	78	49%	0.491	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-64.4	-21.5	179.6	-59.3	-179.2	14.7	0	0	113.3	Y136 Y137	Y136-Q139 WeakPolarHBondContact O-CB 3.23Å; Y136-Q139 PolarHBondContact O-N 3.43Å; Y137-Q139 PolarHBondContact O-N 2.87Å; Y137-Q139 VanDerWaalsContact O-N 3.1Å
140	F	86.8	Confident	75.1	Confident	3 Å²	3	78 Å²	78	1%	0.013	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-105.6	2.6	-178.4	-56.5	-79.7	0	0	0	113.2	F90 F92 V115 P119 Y136 Y137 R138 P162 L165	F90-F140 HydrophobicContact CD1-CB 4.46Å; F90-F140 HydrophobicContact CD1-CD1 4.11Å; F90-F140 HydrophobicContact CE1-CB 4.13Å; F90-F140 HydrophobicContact CE1-CD1 4.23Å; F90-F140 HydrophobicContact CG-CD1 4.27Å; F92-F140 VanDerWaalsContact CE1-O 3.23Å; F92-F140 WeakPolarHBondContact CE1-O 3.43Å; F92-F140 VanDerWaalsContact CZ-O 3.24Å; F92-F140 WeakPolarHBondContact CZ-O 3.1Å; V115-F140 HydrophobicContact CG1-CD1 3.97Å; V115-F140 HydrophobicContact CG1-CE1 4.23Å; P119-F140 HydrophobicContact CB-CE1 4.14Å; P119-F140 HydrophobicContact CB-CE2 4.33Å; P119-F140 HydrophobicContact CB-CZ 3.87Å; P119-F140 HydrophobicContact CG-CE1 4.27Å; P119-F140 HydrophobicContact CG-CZ 4.49Å; Y136-F140 HydrophobicContact CE1-CE2 4.24Å; Y136-F140 HydrophobicContact CE2-CE2 4.2Å; Y136-F140 AromaticContact CZ-CE2 3.94Å; Y137-F140 PolarHBondContact O-N 3.34Å; R138-F140 PolarHBondContact O-N 3.47Å; F140-P162 HydrophobicContact CB-CG 4.28Å; F140-P162 WeakPolarHBondContact O-CD 3.23Å; F140-L165 HydrophobicContact CB-CD2 3.71Å; F140-L165 HydrophobicContact CD1-CD2 4.33Å; F140-L165 HydrophobicContact CD2-CD1 3.53Å; F140-L165 HydrophobicContact CD2-CD2 3.96Å; F140-L165 HydrophobicContact CD2-CG 4.42Å; F140-L165 HydrophobicContact CE2-CD1 4.01Å; F140-L165 HydrophobicContact CG-CD1 4.18Å; F140-L165 HydrophobicContact CG-CD2 3.73Å
141	C	85.6	Confident	76	Confident	7 Å²	7	76.7 Å²	76.7	5%	0.047	42%	0.423	C	S	.	.	S	Bend	trans	-92.9	164	175.1	-64.9	0	0	0	0	111.8	L113 R138 F145 C161	L113-C141 WeakPolarHBondContact CD2-O 3.39Å; R138-C141 PolarHBondContact O-N 3.25Å; C141-F145 HydrophobicContact CB-CD1 4.47Å; C141-C161 HydrophobicContact CB-CB 4.14Å; C141-C161 WeakPolarHBondContact CB-SG 3.4Å; C141-C161 WeakPolarHBondContact SG-CB 3.26Å; C141-C161 CovalentContact SG-SG 2.04Å; C141-C161 PolarHBondContact SG-SG 3.06Å
142	K	81.1	Confident	76.6	Confident	35 Å²	35	74.8 Å²	74.8	15%	0.152	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-58.6	143	173.7	-72.8	-178.3	-177.1	152.6	0	111.1	F92 G144 F145 D158 E159 D160 Q430	F92-K142 HydrophobicContact CZ-CG 4.43Å; K142-G144 PolarHBondContact O-N 2.84Å; K142-F145 PolarHBondContact O-N 3.42Å; K142-D158 PolarHBondContact NZ-O 2.97Å; K142-E159 WeakPolarHBondContact CE-O 3.22Å; K142-E159 PolarHBondContact NZ-O 3.49Å; K142-D160 PolarHBondContact N-O 2.9Å; K142-D160 IonicContact NZ-OD1 3.19Å; K142-Q430 VanDerWaalsContact NZ-CD 3.28Å
143	P	75.1	Confident	77	Confident	115 Å²	115	68.6 Å²	68.6	75%	0.747	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	131.7	177.5	25.1	-31.8	0	0	0	110.5
144	G	70.7	Confident	77.2	Confident	76 Å²	76	70.2 Å²	70.2	78%	0.784	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-3.1	-179.8	0	0	0	0	0	115.7	K142	K142-G144 PolarHBondContact O-N 2.84Å
145	F	77.6	Confident	77.1	Confident	20 Å²	20	67.8 Å²	67.8	9%	0.088	38%	0.383	C	S	.	.			trans	-73.3	130	174	179.7	-102.4	0	0	0	111.9	W134 C141 K142 V155 D160 C161	W134-F145 AromaticContact CH2-CD1 3.76Å; W134-F145 HydrophobicContact CH2-CD1 3.76Å; W134-F145 AromaticContact CH2-CE1 3.66Å; W134-F145 HydrophobicContact CH2-CE1 3.66Å; W134-F145 HydrophobicContact CZ2-CD1 4.16Å; W134-F145 HydrophobicContact CZ2-CE1 4.29Å; C141-F145 HydrophobicContact CB-CD1 4.47Å; K142-F145 PolarHBondContact O-N 3.42Å; F145-V155 HydrophobicContact CE1-CG1 4.44Å; F145-V155 HydrophobicContact CE2-CG1 4.33Å; F145-V155 HydrophobicContact CE2-CG2 3.76Å; F145-V155 HydrophobicContact CZ-CB 4.38Å; F145-V155 HydrophobicContact CZ-CG1 3.9Å; F145-V155 HydrophobicContact CZ-CG2 3.5Å; F145-V155 VanDerWaalsContact CZ-CG2 3.5Å; F145-D160 HydrophobicContact CD2-CB 3.8Å; F145-D160 HydrophobicContact CE2-CB 4.05Å; F145-D160 HydrophobicContact CG-CB 4.36Å; F145-C161 WeakPolarHBondContact CD1-SG 3.26Å; F145-C161 VanDerWaalsContact CE1-SG 3.56Å
146	E	72.8	Confident	76.9	Confident	141 Å²	141	61.6 Å²	61.6	66%	0.659	36%	0.355	S	S	*	.			trans	-111	131.4	174.5	-67	-170	169.3	0	0	111	S149	E146-S149 WeakPolarHBondContact O-CB 3.45Å; E146-S149 PolarHBondContact O-N 3.14Å; E146-S149 PolarHBondContact O-OG 3.31Å
147	F	70.3	Confident	76.4	Confident	96 Å²	96	64.8 Å²	64.8	42%	0.421	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	132.1	-179.7	-168.3	-102.1	0	0	0	111.1	W134	W134-F147 HydrophobicContact CD2-CB 3.96Å; W134-F147 HydrophobicContact CD2-CD2 4.14Å; W134-F147 HydrophobicContact CD2-CG 4.16Å; W134-F147 HydrophobicContact CE3-CB 4.25Å; W134-F147 AromaticContact CE3-CD2 3.6Å; W134-F147 HydrophobicContact CE3-CD2 3.6Å; W134-F147 HydrophobicContact CE3-CE2 4.21Å; W134-F147 HydrophobicContact CE3-CG 4.09Å; W134-F147 HydrophobicContact CH2-CB 4.01Å; W134-F147 AromaticContact CH2-CD2 3.87Å; W134-F147 HydrophobicContact CH2-CD2 3.87Å; W134-F147 HydrophobicContact CH2-CG 4.4Å; W134-F147 HydrophobicContact CZ2-CB 3.64Å; W134-F147 HydrophobicContact CZ2-CD2 4.35Å; W134-F147 HydrophobicContact CZ2-CG 4.43Å; W134-F147 HydrophobicContact CZ3-CB 4.28Å; W134-F147 AromaticContact CZ3-CD2 3.45Å; W134-F147 HydrophobicContact CZ3-CD2 3.45Å; W134-F147 VanDerWaalsContact CZ3-CD2 3.45Å; W134-F147 HydrophobicContact CZ3-CE2 4.17Å; W134-F147 HydrophobicContact CZ3-CG 4.21Å
148	G	69.1	Low	75.9	Confident	68 Å²	68	65.6 Å²	65.6	70%	0.701	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-5.2	-177.9	0	0	0	0	0	115.2	K150	G148-K150 VanDerWaalsContact C-N 3.33Å
149	S	71.9	Confident	75.4	Confident	76 Å²	76	60 Å²	60	53%	0.531	35%	0.351	S	S	.	.	S	Bend	trans	-70.3	-26.4	175.7	60.4	0	0	0	0	114.1	E146	E146-S149 WeakPolarHBondContact O-CB 3.45Å; E146-S149 PolarHBondContact O-N 3.14Å; E146-S149 PolarHBondContact O-OG 3.31Å
150	K	76.8	Confident	75.2	Confident	81 Å²	81	56 Å²	56	35%	0.352	33%	0.333	S	S	.	.	S	Bend	trans	-138.1	157	-178.5	-67.4	-176.6	-177.8	177.2	0	110.1	G148 E154 V155 D158 D160	G148-K150 VanDerWaalsContact C-N 3.33Å; K150-E154 HydrophobicContact CB-CB 4.13Å; K150-E154 HydrophobicContact CD-CB 4.41Å; K150-V155 HydrophobicContact CB-CG2 3.93Å; K150-D158 IonicContact NZ-OD2 3.24Å; K150-D158 PolarHBondContact NZ-OD2 3.42Å; K150-D160 IonicContact NZ-OD2 2.76Å; K150-D160 PolarHBondContact NZ-OD2 3.13Å
151	S	77.3	Confident	75	Confident	60 Å²	60	55.9 Å²	55.9	42%	0.42	33%	0.333	S	S	.	.			trans	-67.2	153.7	172.5	67.5	0	0	0	0	111.4	A153 E154 V155	S151-A153 PolarHBondContact O-N 3.31Å; S151-E154 WeakPolarHBondContact CB-OE2 3.27Å; S151-E154 PolarHBondContact N-OE2 2.88Å; S151-E154 WeakPolarHBondContact O-CB 3.47Å; S151-E154 PolarHBondContact O-N 2.99Å; S151-E154 WeakPolarHBondContact OG-CG 3.47Å; S151-E154 PolarHBondContact OG-N 3Å; S151-E154 PolarHBondContact OG-OE2 3.31Å; S151-V155 WeakPolarHBondContact O-CG2 3.36Å; S151-V155 PolarHBondContact O-N 3.45Å
152	V	72.6	Confident	75	Confident	78 Å²	78	55.7 Å²	55.7	47%	0.473	33%	0.332	S	S	.	.	H	α-helix	trans	-55.8	-37.1	-179.2	176.5	0	0	0	0	112	L125 V155 I156	L125-V152 HydrophobicContact CD2-CG1 4.01Å; L125-V152 HydrophobicContact CG-CG1 4.46Å; V152-V155 PolarHBondContact O-N 3.01Å; V152-I156 HydrophobicContact CG1-CD1 3.8Å; V152-I156 WeakPolarHBondContact O-CD1 3.41Å; V152-I156 VanDerWaalsContact O-CG1 3.28Å; V152-I156 WeakPolarHBondContact O-CG1 3.19Å; V152-I156 PolarHBondContact O-N 3.26Å; V152-I156 VanDerWaalsContact O-N 3.12Å
153	A	70.8	Confident	74.9	Confident	44 Å²	44	56 Å²	56	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-37.6	176.5	0	0	0	0	0	112.5	S151 R157	S151-A153 PolarHBondContact O-N 3.31Å; A153-R157 VanDerWaalsContact O-CB 3.28Å; A153-R157 WeakPolarHBondContact O-CB 3.21Å; A153-R157 PolarHBondContact O-N 2.85Å
154	E	72.7	Confident	75.1	Confident	72 Å²	72	52.3 Å²	52.3	34%	0.336	31%	0.308	S	S	.	.	H	α-helix	trans	-72.2	-38.3	176.8	-69.8	166.4	146.9	0	0	111.9	K150 S151 I156 R157 D158	K150-E154 HydrophobicContact CB-CB 4.13Å; K150-E154 HydrophobicContact CD-CB 4.41Å; S151-E154 WeakPolarHBondContact CB-OE2 3.27Å; S151-E154 PolarHBondContact N-OE2 2.88Å; S151-E154 WeakPolarHBondContact O-CB 3.47Å; S151-E154 PolarHBondContact O-N 2.99Å; S151-E154 WeakPolarHBondContact OG-CG 3.47Å; S151-E154 PolarHBondContact OG-N 3Å; S151-E154 PolarHBondContact OG-OE2 3.31Å; E154-I156 VanDerWaalsContact C-N 3.32Å; E154-I156 PolarHBondContact O-N 3.28Å; E154-R157 PolarHBondContact O-N 3.39Å; E154-D158 VanDerWaalsContact O-CB 3.3Å; E154-D158 WeakPolarHBondContact O-CB 3.39Å; E154-D158 VanDerWaalsContact O-CG 3.23Å; E154-D158 PolarHBondContact O-N 3.18Å
155	V	76.4	Confident	75.8	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-41	175.9	176	0	0	0	0	111.5	L125 F145 K150 S151 V152 E159 D160 C161	L125-V155 HydrophobicContact CD2-CB 4.34Å; L125-V155 HydrophobicContact CD2-CG1 3.87Å; F145-V155 HydrophobicContact CE1-CG1 4.44Å; F145-V155 HydrophobicContact CE2-CG1 4.33Å; F145-V155 HydrophobicContact CE2-CG2 3.76Å; F145-V155 HydrophobicContact CZ-CB 4.38Å; F145-V155 HydrophobicContact CZ-CG1 3.9Å; F145-V155 HydrophobicContact CZ-CG2 3.5Å; F145-V155 VanDerWaalsContact CZ-CG2 3.5Å; K150-V155 HydrophobicContact CB-CG2 3.93Å; S151-V155 WeakPolarHBondContact O-CG2 3.36Å; S151-V155 PolarHBondContact O-N 3.45Å; V152-V155 PolarHBondContact O-N 3.01Å; V155-E159 PolarHBondContact O-N 3.46Å; V155-D160 HydrophobicContact CG1-CB 4.16Å; V155-D160 PolarHBondContact O-N 3.43Å; V155-C161 HydrophobicContact CG1-CB 3.92Å
156	I	73.9	Confident	76	Confident	33 Å²	33	48.6 Å²	48.6	17%	0.169	27%	0.272	C	S	.	.	H	α-helix	trans	-71.8	-42.9	177.7	-65.4	162.1	0	0	0	110.6	L125 V152 E154 E159 L163 H197	L125-I156 HydrophobicContact CD2-CD1 4.39Å; L125-I156 HydrophobicContact CD2-CG1 3.97Å; V152-I156 HydrophobicContact CG1-CD1 3.8Å; V152-I156 WeakPolarHBondContact O-CD1 3.41Å; V152-I156 VanDerWaalsContact O-CG1 3.28Å; V152-I156 WeakPolarHBondContact O-CG1 3.19Å; V152-I156 PolarHBondContact O-N 3.26Å; V152-I156 VanDerWaalsContact O-N 3.12Å; E154-I156 VanDerWaalsContact C-N 3.32Å; E154-I156 PolarHBondContact O-N 3.28Å; I156-E159 PolarHBondContact O-N 3Å; I156-L163 HydrophobicContact CD1-CD1 3.58Å; I156-L163 HydrophobicContact CG1-CD1 4.08Å; I156-H197 HydrophobicContact CG2-CB 4.34Å
157	R	72	Confident	76.4	Confident	97 Å²	97	42.8 Å²	42.8	37%	0.366	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-45.2	178.2	-176.9	-170.4	66.8	-154.2	-4.8	111.6	A153 E154 E159 P401	A153-R157 VanDerWaalsContact O-CB 3.28Å; A153-R157 WeakPolarHBondContact O-CB 3.21Å; A153-R157 PolarHBondContact O-N 2.85Å; E154-R157 PolarHBondContact O-N 3.39Å; R157-E159 PolarHBondContact O-N 3.07Å; R157-P401 HydrophobicContact CG-CG 3.73Å
158	D	72.1	Confident	76.9	Confident	17 Å²	17	38.9 Å²	38.9	9%	0.091	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	5	-178.6	-58.4	-5.2	0	0	0	111.6	K142 K150 E154 D160 G428 Q430	K142-D158 PolarHBondContact NZ-O 2.97Å; K150-D158 IonicContact NZ-OD2 3.24Å; K150-D158 PolarHBondContact NZ-OD2 3.42Å; E154-D158 VanDerWaalsContact O-CB 3.3Å; E154-D158 WeakPolarHBondContact O-CB 3.39Å; E154-D158 VanDerWaalsContact O-CG 3.23Å; E154-D158 PolarHBondContact O-N 3.18Å; D158-D160 PolarHBondContact O-N 2.83Å; D158-G428 WeakPolarHBondContact OD1-CA 3.43Å; D158-Q430 PolarHBondContact O-NE2 3.1Å
159	E	74.7	Confident	77.3	Confident	30 Å²	30	41.1 Å²	41.1	14%	0.14	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	41.8	-176	-59.8	-165.1	165.3	0	0	112.5	F92 K96 T111 K142 V155 I156 R157 C161	F92-E159 HydrophobicContact CD2-CB 4.32Å; F92-E159 WeakPolarHBondContact CE2-O 3.38Å; K96-E159 IonicContact NZ-OE1 2.69Å; K96-E159 PolarHBondContact NZ-OE1 3.04Å; T111-E159 WeakPolarHBondContact CB-OE2 3.49Å; T111-E159 PolarHBondContact N-OE2 2.89Å; T111-E159 WeakPolarHBondContact OG1-CB 3.35Å; T111-E159 PolarHBondContact OG1-OE2 3.38Å; K142-E159 WeakPolarHBondContact CE-O 3.22Å; K142-E159 PolarHBondContact NZ-O 3.49Å; V155-E159 PolarHBondContact O-N 3.46Å; I156-E159 PolarHBondContact O-N 3Å; R157-E159 PolarHBondContact O-N 3.07Å; E159-C161 VanDerWaalsContact C-N 3.35Å
160	D	79.3	Confident	77.4	Confident	20 Å²	20	41.3 Å²	41.3	11%	0.107	22%	0.221	C	C	.	.	S	Bend	trans	-75.7	-31.1	-179.7	-76.5	-28.3	0	0	0	111.1	K142 F145 K150 V155 D158	K142-D160 PolarHBondContact N-O 2.9Å; K142-D160 IonicContact NZ-OD1 3.19Å; F145-D160 HydrophobicContact CD2-CB 3.8Å; F145-D160 HydrophobicContact CE2-CB 4.05Å; F145-D160 HydrophobicContact CG-CB 4.36Å; K150-D160 IonicContact NZ-OD2 2.76Å; K150-D160 PolarHBondContact NZ-OD2 3.13Å; V155-D160 HydrophobicContact CG1-CB 4.16Å; V155-D160 PolarHBondContact O-N 3.43Å; D158-D160 PolarHBondContact O-N 2.83Å
161	C	83.4	Confident	77.1	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.014	22%	0.216	C	C	.	.	S	Bend	trans	-136.1	155.5	169.7	-69.2	0	0	0	0	109.8	L125 Y137 C141 F145 V155 E159	L125-C161 HydrophobicContact CD1-CB 4.43Å; Y137-C161 HydrophobicContact CE1-CB 4.05Å; C141-C161 HydrophobicContact CB-CB 4.14Å; C141-C161 WeakPolarHBondContact CB-SG 3.4Å; C141-C161 WeakPolarHBondContact SG-CB 3.26Å; C141-C161 CovalentContact SG-SG 2.04Å; C141-C161 PolarHBondContact SG-SG 3.06Å; F145-C161 WeakPolarHBondContact CD1-SG 3.26Å; F145-C161 VanDerWaalsContact CE1-SG 3.56Å; V155-C161 HydrophobicContact CG1-CB 3.92Å; E159-C161 VanDerWaalsContact C-N 3.35Å
162	P	83.9	Confident	76.6	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.013	20%	0.203	C	C	.	.			trans	-60.3	158.8	170.2	25.8	-33.7	0	0	0	111	F90 F92 Y137 F140 L165	F90-P162 HydrophobicContact CE1-CB 4.31Å; F90-P162 HydrophobicContact CE1-CG 4.14Å; F90-P162 HydrophobicContact CZ-CB 4.49Å; F92-P162 HydrophobicContact CB-CB 4.4Å; F92-P162 HydrophobicContact CG-CB 4.31Å; Y137-P162 HydrophobicContact CE1-CG 4.43Å; Y137-P162 PolarHBondContact OH-O 3.33Å; F140-P162 HydrophobicContact CB-CG 4.28Å; F140-P162 WeakPolarHBondContact O-CD 3.23Å; P162-L165 HydrophobicContact CB-CD2 4.36Å; P162-L165 HydrophobicContact CG-CD2 3.6Å; P162-L165 HydrophobicContact CG-CG 4.47Å
163	L	79	Confident	76.8	Confident	42 Å²	42	38.1 Å²	38.1	22%	0.22	20%	0.197	C	C	.	.	S	Bend	trans	-73.6	-42.9	173.2	175.3	66.2	0	0	0	110.9	L125 Y137 I156	L125-L163 PolarHBondContact N-O 3.28Å; Y137-L163 PolarHBondContact OH-O 3.41Å; I156-L163 HydrophobicContact CD1-CD1 3.58Å; I156-L163 HydrophobicContact CG1-CD1 4.08Å
164	M	80.7	Confident	77.3	Confident	37 Å²	37	38.3 Å²	38.3	18%	0.182	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.7	-178.7	68.8	-177.2	99.1	0	0	109.8	F122 A123 T124 V166 F194	F122-M164 HydrophobicContact CE2-CB 4.44Å; F122-M164 HydrophobicContact CE2-SD 4.24Å; A123-M164 CarbonylContact O-C 3.49Å; A123-M164 WeakPolarHBondContact O-CA 3.45Å; T124-M164 HydrophobicContact CG2-CB 4.14Å; M164-V166 HydrophobicContact CG-CG2 4.19Å; M164-V166 HydrophobicContact SD-CG2 4.23Å; M164-F194 HydrophobicContact CE-CB 4.12Å; M164-F194 HydrophobicContact SD-CD1 3.91Å; M164-F194 HydrophobicContact SD-CE1 4.47Å; M164-F194 HydrophobicContact SD-CG 4.36Å
165	L	83.8	Confident	77.7	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.3	167.3	-61.8	178.6	0	0	0	107.7	F90 P119 F122 A123 Y136 Y137 F140 P162	F90-L165 HydrophobicContact CE1-CD2 4.19Å; F90-L165 HydrophobicContact CZ-CD2 3.71Å; P119-L165 HydrophobicContact CB-CB 4.2Å; F122-L165 VanDerWaalsContact CA-O 3.28Å; F122-L165 WeakPolarHBondContact CA-O 3.42Å; F122-L165 WeakPolarHBondContact CD2-O 3.35Å; A123-L165 HydrophobicContact CB-CB 4.39Å; A123-L165 HydrophobicContact CB-CD1 4.39Å; A123-L165 PolarHBondContact N-O 3.27Å; A123-L165 VanDerWaalsContact N-O 3.17Å; A123-L165 PolarHBondContact O-N 2.92Å; Y136-L165 HydrophobicContact CD1-CD1 4.45Å; Y136-L165 HydrophobicContact CE1-CD1 3.9Å; Y137-L165 HydrophobicContact CD2-CD1 3.42Å; Y137-L165 VanDerWaalsContact CD2-CD1 3.42Å; Y137-L165 HydrophobicContact CD2-CG 3.96Å; Y137-L165 HydrophobicContact CE2-CD1 3.66Å; Y137-L165 HydrophobicContact CE2-CG 3.62Å; Y137-L165 HydrophobicContact CG-CD1 4.21Å; F140-L165 HydrophobicContact CB-CD2 3.71Å; F140-L165 HydrophobicContact CD1-CD2 4.33Å; F140-L165 HydrophobicContact CD2-CD1 3.53Å; F140-L165 HydrophobicContact CD2-CD2 3.96Å; F140-L165 HydrophobicContact CD2-CG 4.42Å; F140-L165 HydrophobicContact CE2-CD1 4.01Å; F140-L165 HydrophobicContact CG-CD1 4.18Å; F140-L165 HydrophobicContact CG-CD2 3.73Å; P162-L165 HydrophobicContact CB-CD2 4.36Å; P162-L165 HydrophobicContact CG-CD2 3.6Å; P162-L165 HydrophobicContact CG-CG 4.47Å
166	V	82.8	Confident	77.9	Confident	18 Å²	18	35.2 Å²	35.2	11%	0.109	17%	0.174	C	C	.	.			trans	-108.8	130.6	178	170.7	0	0	0	0	108.5	P119 F122 M164 S168 P177 V188	P119-V166 VanDerWaalsContact CG-O 3.28Å; P119-V166 WeakPolarHBondContact CG-O 3.4Å; F122-V166 HydrophobicContact CD2-CG2 4.45Å; F122-V166 HydrophobicContact CE2-CG2 4.38Å; M164-V166 HydrophobicContact CG-CG2 4.19Å; M164-V166 HydrophobicContact SD-CG2 4.23Å; V166-S168 PolarHBondContact O-N 2.96Å; V166-S168 PolarHBondContact O-OG 3.14Å; V166-P177 HydrophobicContact CG1-CB 3.85Å; V166-P177 HydrophobicContact CG1-CG 4.35Å; V166-V188 HydrophobicContact CG1-CG1 3.4Å; V166-V188 VanDerWaalsContact CG1-CG1 3.4Å
167	P	81.6	Confident	78.1	Confident	19 Å²	19	34.3 Å²	34.3	12%	0.123	17%	0.17	C	C	.	.			trans	-49.8	125.7	174.5	-26	33.3	0	0	0	110.8	P119 F122 P177 E178 A189	P119-P167 CarbonylContact O-C 3.45Å; P119-P167 WeakPolarHBondContact O-CA 3.34Å; F122-P167 HydrophobicContact CB-CG 4.23Å; P167-P177 WeakPolarHBondContact O-CA 3.28Å; P167-E178 PolarHBondContact O-N 2.82Å; P167-A189 HydrophobicContact CG-CB 4.36Å
168	S	80.1	Confident	78.2	Confident	15 Å²	15	33.4 Å²	33.4	11%	0.105	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.9	-167.9	-65.1	0	0	0	0	112.3	C118 P119 V166 F176	C118-S168 VanDerWaalsContact CB-O 3.27Å; C118-S168 WeakPolarHBondContact CB-O 3.48Å; P119-S168 PolarHBondContact O-N 2.97Å; V166-S168 PolarHBondContact O-N 2.96Å; V166-S168 PolarHBondContact O-OG 3.14Å; S168-F176 CarbonylContact C-O 3.5Å; S168-F176 WeakPolarHBondContact CA-O 3.42Å; S168-F176 WeakPolarHBondContact CB-O 3.34Å
169	K	77.1	Confident	78.2	Confident	114 Å²	114	35.5 Å²	35.5	50%	0.496	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.1	172.9	-73.7	-177.2	176.9	160.9	0	111.5	I171 F176 E178	K169-I171 PolarHBondContact O-N 3.34Å; K169-F176 PolarHBondContact N-O 2.96Å; K169-F176 PolarHBondContact O-N 3.17Å; K169-E178 WeakPolarHBondContact CE-OE1 3.27Å; K169-E178 VanDerWaalsContact CE-OE2 3.26Å; K169-E178 WeakPolarHBondContact CE-OE2 3.49Å; K169-E178 IonicContact NZ-OE1 2.72Å; K169-E178 PolarHBondContact NZ-OE1 3.08Å; K169-E178 IonicContact NZ-OE2 3.83Å
170	P	74.8	Confident	77.7	Confident	80 Å²	80	36.8 Å²	36.8	52%	0.519	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.8	174.9	29.1	-32.4	0	0	0	110.5	I88 R174	I88-P170 HydrophobicContact CD1-CB 3.98Å; I88-P170 HydrophobicContact CG1-CB 4.35Å; P170-R174 CarbonylContact C-O 3.53Å; P170-R174 WeakPolarHBondContact CA-O 3.43Å
171	I	69.7	Low	76.6	Confident	51 Å²	51	40 Å²	40	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.2	170.3	-56	176.6	0	0	0	106.8	K169 Q173 R174 F176	K169-I171 PolarHBondContact O-N 3.34Å; I171-Q173 PolarHBondContact O-N 2.97Å; I171-R174 PolarHBondContact N-O 3.4Å; I171-R174 PolarHBondContact O-N 3.22Å; I171-F176 HydrophobicContact CB-CD2 3.91Å; I171-F176 HydrophobicContact CB-CE2 4.48Å; I171-F176 HydrophobicContact CD1-CB 3.99Å; I171-F176 HydrophobicContact CD1-CD2 4.18Å; I171-F176 HydrophobicContact CD1-CG 4.23Å; I171-F176 HydrophobicContact CG1-CD2 4.32Å
172	L	67.5	Low	75.1	Confident	28 Å²	28	45.7 Å²	45.7	15%	0.147	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	51.6	179.5	-67.6	166.3	0	0	0	114.9	R174 L218 K221 E222 I225	L172-R174 PolarHBondContact O-N 3.39Å; L172-L218 HydrophobicContact CD1-CB 3.81Å; L172-L218 HydrophobicContact CD1-CD2 4.21Å; L172-L218 WeakPolarHBondContact CD1-O 3.43Å; L172-K221 HydrophobicContact CD1-CB 3.51Å; L172-K221 HydrophobicContact CD1-CD 3.89Å; L172-K221 HydrophobicContact CD1-CG 3.79Å; L172-K221 HydrophobicContact CD2-CB 4.25Å; L172-K221 HydrophobicContact CD2-CD 3.81Å; L172-K221 HydrophobicContact CD2-CG 3.64Å; L172-K221 HydrophobicContact CG-CD 4.31Å; L172-K221 HydrophobicContact CG-CG 4.32Å; L172-E222 HydrophobicContact CD1-CB 4.25Å; L172-E222 HydrophobicContact CG-CB 4.4Å; L172-I225 HydrophobicContact CD2-CD1 3.55Å
173	Q	77.1	Confident	73.4	Confident	73 Å²	73	55.5 Å²	55.5	34%	0.341	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	28.4	-177.9	-62.6	175.7	-26.3	0	0	112.9	P68 N87 I88 L89 I171	P68-Q173 VanDerWaalsContact CD-OE1 3.24Å; P68-Q173 HydrophobicContact CG-CB 3.99Å; N87-Q173 VanDerWaalsContact O-CB 3.24Å; N87-Q173 WeakPolarHBondContact O-CB 3.37Å; N87-Q173 WeakPolarHBondContact O-CG 3.43Å; I88-Q173 CarbonylContact C-O 3.39Å; I88-Q173 WeakPolarHBondContact CA-O 3.39Å; L89-Q173 PolarHBondContact N-O 2.98Å; I171-Q173 PolarHBondContact O-N 2.97Å
174	R	80.4	Confident	72.2	Confident	49 Å²	49	57 Å²	57	19%	0.185	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.4	172.4	-55.3	-170.8	-180	-119.9	-0.2	110.9	L89 Y91 P170 I171 L172 F176	L89-R174 HydrophobicContact CB-CG 4.11Å; L89-R174 HydrophobicContact CD2-CG 4.49Å; L89-R174 CarbonylContact O-C 3.59Å; L89-R174 VanDerWaalsContact O-CA 3.25Å; L89-R174 WeakPolarHBondContact O-CA 3.34Å; Y91-R174 HydrophobicContact CE2-CB 4.45Å; Y91-R174 PolarHBondContact OH-NH1 2.9Å; P170-R174 CarbonylContact C-O 3.53Å; P170-R174 WeakPolarHBondContact CA-O 3.43Å; I171-R174 PolarHBondContact N-O 3.4Å; I171-R174 PolarHBondContact O-N 3.22Å; L172-R174 PolarHBondContact O-N 3.39Å; R174-F176 HydrophobicContact CB-CD2 4.46Å; R174-F176 HydrophobicContact CB-CE2 3.95Å
175	C	81.8	Confident	70.7	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.02	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.6	178.4	-64	0	0	0	0	111.8	I88 L89 F90 M94 C118	I88-C175 WeakPolarHBondContact CG2-SG 3.35Å; L89-C175 PolarHBondContact O-N 3.07Å; F90-C175 HydrophobicContact CD2-CB 4.07Å; M94-C175 WeakPolarHBondContact CE-O 3.26Å; C118-C175 WeakPolarHBondContact CA-SG 3.35Å; C118-C175 HydrophobicContact CB-CB 3.93Å; C118-C175 WeakPolarHBondContact CB-SG 3.49Å; C118-C175 WeakPolarHBondContact SG-CA 3.48Å; C118-C175 WeakPolarHBondContact SG-CB 3.41Å; C118-C175 CovalentContact SG-SG 2.05Å; C118-C175 PolarHBondContact SG-SG 2.87Å
176	F	80.5	Confident	69.5	Low	9 Å²	9	62.1 Å²	62.1	4%	0.039	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.5	174.6	-80.9	-85.5	0	0	0	111.8	M94 S168 K169 I171 R174 E178 A211 I214 A215 L218	M94-F176 HydrophobicContact CE-CD1 4.01Å; M94-F176 HydrophobicContact CE-CE1 4.06Å; M94-F176 HydrophobicContact SD-CD1 4.32Å; M94-F176 HydrophobicContact SD-CE1 4.46Å; S168-F176 CarbonylContact C-O 3.5Å; S168-F176 WeakPolarHBondContact CA-O 3.42Å; S168-F176 WeakPolarHBondContact CB-O 3.34Å; K169-F176 PolarHBondContact N-O 2.96Å; K169-F176 PolarHBondContact O-N 3.17Å; I171-F176 HydrophobicContact CB-CD2 3.91Å; I171-F176 HydrophobicContact CB-CE2 4.48Å; I171-F176 HydrophobicContact CD1-CB 3.99Å; I171-F176 HydrophobicContact CD1-CD2 4.18Å; I171-F176 HydrophobicContact CD1-CG 4.23Å; I171-F176 HydrophobicContact CG1-CD2 4.32Å; R174-F176 HydrophobicContact CB-CD2 4.46Å; R174-F176 HydrophobicContact CB-CE2 3.95Å; F176-E178 PolarHBondContact O-N 3.41Å; F176-A211 HydrophobicContact CD1-CB 4.21Å; F176-A211 WeakPolarHBondContact CE1-O 3.39Å; F176-I214 HydrophobicContact CE1-CB 4.05Å; F176-I214 HydrophobicContact CE1-CG2 4.26Å; F176-I214 HydrophobicContact CZ-CB 4.06Å; F176-I214 HydrophobicContact CZ-CG2 3.77Å; F176-A215 HydrophobicContact CD1-CB 4.24Å; F176-A215 HydrophobicContact CE1-CB 3.85Å; F176-A215 HydrophobicContact CZ-CB 4.23Å; F176-L218 HydrophobicContact CE2-CD1 3.49Å; F176-L218 VanDerWaalsContact CE2-CD1 3.49Å; F176-L218 HydrophobicContact CZ-CD1 3.46Å; F176-L218 VanDerWaalsContact CZ-CD1 3.46Å
177	P	77.6	Confident	68.7	Low	14 Å²	14	61.8 Å²	61.8	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	136.3	177.6	-24.6	33.2	0	0	0	112.3	M94 V166 P167 F179 L207	M94-P177 VanDerWaalsContact SD-CD 3.59Å; M94-P177 HydrophobicContact SD-CG 3.96Å; V166-P177 HydrophobicContact CG1-CB 3.85Å; V166-P177 HydrophobicContact CG1-CG 4.35Å; P167-P177 WeakPolarHBondContact O-CA 3.28Å; P177-F179 HydrophobicContact CB-CE1 4.18Å; P177-F179 HydrophobicContact CB-CE2 4.09Å; P177-F179 HydrophobicContact CB-CZ 3.78Å; P177-F179 HydrophobicContact CG-CZ 4.27Å; P177-F179 WeakPolarHBondContact O-CD2 3.27Å; P177-F179 WeakPolarHBondContact O-CE2 3.47Å; P177-L207 HydrophobicContact CB-CD2 4.39Å; P177-L207 HydrophobicContact CG-CD1 4.41Å; P177-L207 HydrophobicContact CG-CD2 4.29Å; P177-L207 HydrophobicContact CG-CG 4.31Å
178	E	73.9	Confident	67.7	Low	78 Å²	78	60.9 Å²	60.9	36%	0.364	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-85	118.9	168.8	-177.2	166.4	-161.5	0	0	109.3	P167 K169 F176	P167-E178 PolarHBondContact O-N 2.82Å; K169-E178 WeakPolarHBondContact CE-OE1 3.27Å; K169-E178 VanDerWaalsContact CE-OE2 3.26Å; K169-E178 WeakPolarHBondContact CE-OE2 3.49Å; K169-E178 IonicContact NZ-OE1 2.72Å; K169-E178 PolarHBondContact NZ-OE1 3.08Å; K169-E178 IonicContact NZ-OE2 3.83Å; F176-E178 PolarHBondContact O-N 3.41Å
179	F	71.7	Confident	66.8	Low	61 Å²	61	62.1 Å²	62.1	27%	0.268	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-98.8	129.7	178.9	-57.8	-79.4	0	0	0	110.3	P177 L186 V188 V204 L207 R208 A211	P177-F179 HydrophobicContact CB-CE1 4.18Å; P177-F179 HydrophobicContact CB-CE2 4.09Å; P177-F179 HydrophobicContact CB-CZ 3.78Å; P177-F179 HydrophobicContact CG-CZ 4.27Å; P177-F179 WeakPolarHBondContact O-CD2 3.27Å; P177-F179 WeakPolarHBondContact O-CE2 3.47Å; F179-L186 HydrophobicContact CB-CD2 4.01Å; F179-L186 HydrophobicContact CG-CD2 4.49Å; F179-V188 HydrophobicContact CD1-CG2 3.62Å; F179-V188 HydrophobicContact CE1-CG2 3.98Å; F179-V204 HydrophobicContact CD1-CG1 4.1Å; F179-V204 HydrophobicContact CE1-CG1 4.33Å; F179-L207 HydrophobicContact CE1-CD2 4.35Å; F179-L207 HydrophobicContact CE1-CG 4.36Å; F179-R208 HydrophobicContact CE1-CB 4.06Å; F179-R208 HydrophobicContact CZ-CB 4.07Å; F179-A211 HydrophobicContact CE2-CB 4.23Å; F179-A211 HydrophobicContact CZ-CB 4.05Å
180	T	64.1	Low	66.3	Low	58 Å²	58	62.2 Å²	62.2	36%	0.356	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.6	175.6	44.8	0	0	0	0	110.6	T187	T180-T187 PolarHBondContact N-O 3.47Å; T180-T187 PolarHBondContact O-N 3.39Å; T180-T187 VanDerWaalsContact O-O 3.05Å; T180-T187 PolarHBondContact O-OG1 3.27Å; T180-T187 PolarHBondContact OG1-O 3.46Å; T180-T187 PolarHBondContact OG1-OG1 3.37Å
181	S	57.4	Low	65.8	Low	88 Å²	88	62.6 Å²	62.6	62%	0.615	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.7	173.7	-174.9	0	0	0	0	109.7
182	K	52.5	Low	65.5	Low	121 Å²	121	63 Å²	63	53%	0.526	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.8	168.5	-77	-175	174.5	178.5	0	107.6	G184 L185 N190	K182-G184 PolarHBondContact O-N 2.93Å; K182-L185 PolarHBondContact N-O 3.36Å; K182-L185 PolarHBondContact O-N 3.38Å; K182-L185 VanDerWaalsContact O-N 3.11Å; K182-N190 PolarHBondContact NZ-OD1 2.89Å
183	E	47.5	Very low	65.5	Low	208 Å²	208	65.2 Å²	65.2	97%	0.972	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	35.2	178.9	-58.7	-177.8	177.7	0	0	114.7	L185	E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 2.93Å
184	G	53.3	Low	65.1	Low	73 Å²	73	62.1 Å²	62.1	75%	0.753	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-2.3	178.2	0	0	0	0	0	115.3	K182	K182-G184 PolarHBondContact O-N 2.93Å
185	L	49.2	Very low	64.2	Low	103 Å²	103	68.1 Å²	68.1	54%	0.539	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.9	175.4	-161.3	71.6	0	0	0	110.4	K182 E183 T187 T192	K182-L185 PolarHBondContact N-O 3.36Å; K182-L185 PolarHBondContact O-N 3.38Å; K182-L185 VanDerWaalsContact O-N 3.11Å; E183-L185 VanDerWaalsContact C-N 3.26Å; E183-L185 PolarHBondContact O-N 2.93Å; L185-T187 PolarHBondContact O-N 3.15Å; L185-T192 HydrophobicContact CD2-CG2 3.39Å; L185-T192 HydrophobicContact CG-CG2 4.18Å
186	L	60	Low	63.1	Low	42 Å²	42	70 Å²	70	22%	0.22	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.1	174.8	-80.4	128.9	0	0	0	110.2	F179 V204	F179-L186 HydrophobicContact CB-CD2 4.01Å; F179-L186 HydrophobicContact CG-CD2 4.49Å; L186-V204 HydrophobicContact CB-CG1 3.88Å
187	T	64.1	Low	61.7	Low	11 Å²	11	74.3 Å²	74.3	7%	0.067	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.7	178.2	62.7	0	0	0	0	110.5	T180 L185 Q191 T192	T180-T187 PolarHBondContact N-O 3.47Å; T180-T187 PolarHBondContact O-N 3.39Å; T180-T187 VanDerWaalsContact O-O 3.05Å; T180-T187 PolarHBondContact O-OG1 3.27Å; T180-T187 PolarHBondContact OG1-O 3.46Å; T180-T187 PolarHBondContact OG1-OG1 3.37Å; L185-T187 PolarHBondContact O-N 3.15Å; T187-Q191 WeakPolarHBondContact CA-O 3.19Å; T187-T192 HydrophobicContact CG2-CG2 3.91Å
188	V	62.4	Low	60.7	Low	0 Å²	0	80.4 Å²	80.4	0%	0	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-127.3	120.8	169.6	168.1	0	0	0	0	105.9	V166 F179 N190 Q191 F194 V204 L207	V166-V188 HydrophobicContact CG1-CG1 3.4Å; V166-V188 VanDerWaalsContact CG1-CG1 3.4Å; F179-V188 HydrophobicContact CD1-CG2 3.62Å; F179-V188 HydrophobicContact CE1-CG2 3.98Å; V188-N190 VanDerWaalsContact C-N 3.26Å; V188-N190 PolarHBondContact O-N 3.16Å; V188-Q191 PolarHBondContact N-O 3.05Å; V188-Q191 VanDerWaalsContact N-O 3.14Å; V188-Q191 PolarHBondContact O-N 2.62Å; V188-F194 HydrophobicContact CB-CZ 3.95Å; V188-F194 HydrophobicContact CG1-CZ 4.18Å; V188-V204 HydrophobicContact CG2-CG1 3.96Å; V188-V204 HydrophobicContact CG2-CG2 4.47Å; V188-L207 HydrophobicContact CG2-CD2 4.45Å
189	A	61.1	Low	59.9	Low	41 Å²	41	82.1 Å²	82.1	34%	0.339	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	41.3	-174.8	0	0	0	0	0	114.3	F122 P167 Q191	F122-A189 HydrophobicContact CB-CB 3.48Å; F122-A189 VanDerWaalsContact CB-CB 3.48Å; F122-A189 HydrophobicContact CD2-CB 4.1Å; F122-A189 HydrophobicContact CG-CB 3.82Å; P167-A189 HydrophobicContact CG-CB 4.36Å; A189-Q191 PolarHBondContact O-N 2.91Å
190	N	65.3	Low	59.5	Low	115 Å²	115	83.4 Å²	83.4	62%	0.615	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	13.9	-177.1	-56.5	-41.2	0	0	0	116	K182 V188	K182-N190 PolarHBondContact NZ-OD1 2.89Å; V188-N190 VanDerWaalsContact C-N 3.26Å; V188-N190 PolarHBondContact O-N 3.16Å
191	Q	64.5	Low	59.7	Low	89 Å²	89	85.1 Å²	85.1	42%	0.416	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-111.9	149.4	174.3	-66	-176.6	-11.9	0	0	111.3	T187 V188 A189 V204	T187-Q191 WeakPolarHBondContact CA-O 3.19Å; V188-Q191 PolarHBondContact N-O 3.05Å; V188-Q191 VanDerWaalsContact N-O 3.14Å; V188-Q191 PolarHBondContact O-N 2.62Å; A189-Q191 PolarHBondContact O-N 2.91Å; Q191-V204 WeakPolarHBondContact O-CG2 3.32Å
192	T	64.7	Low	60.2	Low	58 Å²	58	85.6 Å²	85.6	36%	0.356	44%	0.444	S	S	.	.	S	Bend	trans	-112.8	-18.1	-177.2	54.5	0	0	0	0	113.2	L185 T187 V204	L185-T192 HydrophobicContact CD2-CG2 3.39Å; L185-T192 HydrophobicContact CG-CG2 4.18Å; T187-T192 HydrophobicContact CG2-CG2 3.91Å; T192-V204 WeakPolarHBondContact O-CG2 3.36Å; T192-V204 PolarHBondContact O-N 2.83Å
193	T	66.8	Low	61.3	Low	75 Å²	75	82.4 Å²	82.4	46%	0.46	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.6	179.6	55.2	0	0	0	0	110.4	W202	T193-W202 CarbonylContact C-O 3.56Å; T193-W202 WeakPolarHBondContact CA-O 3.48Å
194	F	67.5	Low	62.4	Low	8 Å²	8	72.6 Å²	72.6	4%	0.035	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.8	178.4	-52.2	-77.8	0	0	0	109.6	F122 M164 V188 T201 W202 V204 L207	F122-F194 HydrophobicContact CE2-CE1 4.17Å; M164-F194 HydrophobicContact CE-CB 4.12Å; M164-F194 HydrophobicContact SD-CD1 3.91Å; M164-F194 HydrophobicContact SD-CE1 4.47Å; M164-F194 HydrophobicContact SD-CG 4.36Å; V188-F194 HydrophobicContact CB-CZ 3.95Å; V188-F194 HydrophobicContact CG1-CZ 4.18Å; F194-T201 CarbonylContact O-C 3.54Å; F194-T201 WeakPolarHBondContact O-CA 3.33Å; F194-W202 PolarHBondContact N-O 2.96Å; F194-W202 PolarHBondContact O-N 2.7Å; F194-V204 HydrophobicContact CE2-CB 4.47Å; F194-V204 HydrophobicContact CE2-CG2 3.6Å; F194-V204 HydrophobicContact CZ-CG2 3.92Å; F194-L207 HydrophobicContact CE2-CD2 4.07Å; F194-L207 HydrophobicContact CZ-CD2 4.32Å
195	R	63.4	Low	63.1	Low	176 Å²	176	73.2 Å²	73.2	66%	0.664	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	130	174.9	-67.5	-176.3	-177.6	178.6	1.6	110.1	N200 T201	R195-N200 WeakPolarHBondContact CA-O 3.47Å; R195-T201 HydrophobicContact CG-CG2 4.08Å
196	D	58.3	Low	64.2	Low	43 Å²	43	71.2 Å²	71.2	23%	0.23	37%	0.365	C	S	.	.			trans	-82	167.1	170.3	-169.2	15.4	0	0	0	111.1	H198 N199 N200	D196-H198 PolarHBondContact O-N 3.03Å; D196-H198 VanDerWaalsContact O-N 3.13Å; D196-N199 WeakPolarHBondContact O-CA 3.48Å; D196-N199 PolarHBondContact O-N 3.14Å; D196-N200 HydrophobicContact CB-CB 4.48Å; D196-N200 PolarHBondContact N-O 2.83Å
197	H	50.9	Low	64.7	Low	99 Å²	99	69.7 Å²	69.7	46%	0.458	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.2	175.1	178.6	-89.7	0	0	0	113.1	I156 N199	I156-H197 HydrophobicContact CG2-CB 4.34Å; H197-N199 VanDerWaalsContact C-N 3.28Å; H197-N199 PolarHBondContact O-N 3.24Å
198	H	55.4	Low	65	Low	142 Å²	142	73.5 Å²	73.5	66%	0.657	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	11.7	174.2	-67.3	-68.9	0	0	0	114.5	D196 N200	D196-H198 PolarHBondContact O-N 3.03Å; D196-H198 VanDerWaalsContact O-N 3.13Å; H198-N200 PolarHBondContact O-N 2.99Å
199	N	57.7	Low	65.4	Low	114 Å²	114	78.4 Å²	78.4	61%	0.61	40%	0.397	S	S	*	.			trans	62.6	17	-176.8	-153.1	38.3	0	0	0	114.9	D196 H197	D196-N199 WeakPolarHBondContact O-CA 3.48Å; D196-N199 PolarHBondContact O-N 3.14Å; H197-N199 VanDerWaalsContact C-N 3.28Å; H197-N199 PolarHBondContact O-N 3.24Å
200	N	63.1	Low	65.7	Low	88 Å²	88	76.5 Å²	76.5	47%	0.471	38%	0.381	S	S	.	.			trans	-74.2	130.1	172.1	-69.9	-27.5	0	0	0	110	R195 D196 H198	R195-N200 WeakPolarHBondContact CA-O 3.47Å; D196-N200 HydrophobicContact CB-CB 4.48Å; D196-N200 PolarHBondContact N-O 2.83Å; H198-N200 PolarHBondContact O-N 2.99Å
201	T	67.9	Low	65.8	Low	93 Å²	93	71.2 Å²	71.2	57%	0.571	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.8	177.6	51.6	0	0	0	0	110.9	F194 R195	F194-T201 CarbonylContact O-C 3.54Å; F194-T201 WeakPolarHBondContact O-CA 3.33Å; R195-T201 HydrophobicContact CG-CG2 4.08Å
202	W	69.1	Low	65.9	Low	98 Å²	98	71.3 Å²	71.3	37%	0.371	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.7	174.6	-61.5	93.9	0	0	0	110	L95 T193 F194 D206	L95-W202 HydrophobicContact CD1-CB 4.15Å; L95-W202 HydrophobicContact CD1-CD2 4.41Å; L95-W202 HydrophobicContact CD1-CG 3.99Å; T193-W202 CarbonylContact C-O 3.56Å; T193-W202 WeakPolarHBondContact CA-O 3.48Å; F194-W202 PolarHBondContact N-O 2.96Å; F194-W202 PolarHBondContact O-N 2.7Å; W202-D206 HydrophobicContact CE3-CB 4.2Å
203	T	75.2	Confident	65.9	Low	54 Å²	54	70.2 Å²	70.2	33%	0.331	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	158.8	178.3	68.2	0	0	0	0	111.4	N205 D206 L207	T203-N205 PolarHBondContact O-N 3.03Å; T203-N205 PolarHBondContact OG1-N 3.41Å; T203-D206 WeakPolarHBondContact CB-OD2 3.43Å; T203-D206 PolarHBondContact N-OD2 3.35Å; T203-D206 PolarHBondContact O-N 3.37Å; T203-D206 VanDerWaalsContact O-N 3.13Å; T203-D206 PolarHBondContact OG1-N 3.11Å; T203-D206 PolarHBondContact OG1-OD2 3.25Å; T203-L207 PolarHBondContact O-N 3.09Å
204	V	70.6	Confident	65.7	Low	3 Å²	3	67.7 Å²	67.7	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-26.5	171.7	173.3	0	0	0	0	111.9	F179 L186 V188 Q191 T192 F194 L207 R208	F179-V204 HydrophobicContact CD1-CG1 4.1Å; F179-V204 HydrophobicContact CE1-CG1 4.33Å; L186-V204 HydrophobicContact CB-CG1 3.88Å; V188-V204 HydrophobicContact CG2-CG1 3.96Å; V188-V204 HydrophobicContact CG2-CG2 4.47Å; Q191-V204 WeakPolarHBondContact O-CG2 3.32Å; T192-V204 WeakPolarHBondContact O-CG2 3.36Å; T192-V204 PolarHBondContact O-N 2.83Å; F194-V204 HydrophobicContact CE2-CB 4.47Å; F194-V204 HydrophobicContact CE2-CG2 3.6Å; F194-V204 HydrophobicContact CZ-CG2 3.92Å; V204-L207 PolarHBondContact O-N 3.33Å; V204-R208 WeakPolarHBondContact O-CB 3.12Å; V204-R208 PolarHBondContact O-N 3.08Å
205	N	68.8	Low	65.5	Low	85 Å²	85	68.5 Å²	68.5	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-68.4	-39.3	175.7	-68.5	-19.5	0	0	0	111.9	T203 L207 R208 D209	T203-N205 PolarHBondContact O-N 3.03Å; T203-N205 PolarHBondContact OG1-N 3.41Å; N205-L207 VanDerWaalsContact C-N 3.31Å; N205-L207 PolarHBondContact O-N 3.4Å; N205-R208 WeakPolarHBondContact O-CB 3.37Å; N205-R208 PolarHBondContact O-N 3.19Å; N205-R208 VanDerWaalsContact O-N 3.15Å; N205-D209 PolarHBondContact O-N 3.23Å
206	D	72.1	Confident	65.2	Low	61 Å²	61	63.9 Å²	63.9	33%	0.326	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-38.5	176	-54.4	-51.6	0	0	0	111.4	L95 W202 T203 D209 A210	L95-D206 HydrophobicContact CD2-CB 4.44Å; W202-D206 HydrophobicContact CE3-CB 4.2Å; T203-D206 WeakPolarHBondContact CB-OD2 3.43Å; T203-D206 PolarHBondContact N-OD2 3.35Å; T203-D206 PolarHBondContact O-N 3.37Å; T203-D206 VanDerWaalsContact O-N 3.13Å; T203-D206 PolarHBondContact OG1-N 3.11Å; T203-D206 PolarHBondContact OG1-OD2 3.25Å; D206-D209 PolarHBondContact O-N 3.49Å; D206-A210 WeakPolarHBondContact O-CB 3.33Å; D206-A210 PolarHBondContact O-N 3.07Å
207	L	70.1	Confident	65.1	Low	11 Å²	11	67 Å²	67	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-39.1	173.9	-174.9	65.1	0	0	0	111.8	M94 L95 P177 F179 V188 F194 T203 V204 N205 A211	M94-L207 HydrophobicContact CB-CD1 4.31Å; L95-L207 HydrophobicContact CD2-CB 3.93Å; L95-L207 HydrophobicContact CD2-CD1 3.89Å; L95-L207 HydrophobicContact CG-CD1 4.07Å; P177-L207 HydrophobicContact CB-CD2 4.39Å; P177-L207 HydrophobicContact CG-CD1 4.41Å; P177-L207 HydrophobicContact CG-CD2 4.29Å; P177-L207 HydrophobicContact CG-CG 4.31Å; F179-L207 HydrophobicContact CE1-CD2 4.35Å; F179-L207 HydrophobicContact CE1-CG 4.36Å; V188-L207 HydrophobicContact CG2-CD2 4.45Å; F194-L207 HydrophobicContact CE2-CD2 4.07Å; F194-L207 HydrophobicContact CZ-CD2 4.32Å; T203-L207 PolarHBondContact O-N 3.09Å; V204-L207 PolarHBondContact O-N 3.33Å; N205-L207 VanDerWaalsContact C-N 3.31Å; N205-L207 PolarHBondContact O-N 3.4Å; L207-A211 VanDerWaalsContact O-CB 3.23Å; L207-A211 WeakPolarHBondContact O-CB 3.41Å; L207-A211 PolarHBondContact O-N 2.9Å
208	R	70.5	Confident	65.3	Low	90 Å²	90	63.3 Å²	63.3	34%	0.34	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-45.7	174.6	176.9	-175.7	171.4	163.3	2.5	111	F179 V204 N205 A211 M212	F179-R208 HydrophobicContact CE1-CB 4.06Å; F179-R208 HydrophobicContact CZ-CB 4.07Å; V204-R208 WeakPolarHBondContact O-CB 3.12Å; V204-R208 PolarHBondContact O-N 3.08Å; N205-R208 WeakPolarHBondContact O-CB 3.37Å; N205-R208 PolarHBondContact O-N 3.19Å; N205-R208 VanDerWaalsContact O-N 3.15Å; R208-A211 PolarHBondContact O-N 3.06Å; R208-M212 HydrophobicContact CG-CE 3.75Å; R208-M212 HydrophobicContact CG-CG 4.25Å; R208-M212 HydrophobicContact CG-SD 3.89Å; R208-M212 VanDerWaalsContact O-CB 3.29Å; R208-M212 WeakPolarHBondContact O-CB 3.42Å; R208-M212 VanDerWaalsContact O-CG 3.26Å; R208-M212 WeakPolarHBondContact O-CG 3.34Å; R208-M212 PolarHBondContact O-N 3.42Å
209	D	70	Confident	65.4	Low	103 Å²	103	60.7 Å²	60.7	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-66.2	-40.6	-179.5	-70.7	-16.5	0	0	0	111.4	N205 D206 M212 G213	N205-D209 PolarHBondContact O-N 3.23Å; D206-D209 PolarHBondContact O-N 3.49Å; D209-M212 PolarHBondContact O-N 3.05Å; D209-G213 PolarHBondContact O-N 3.36Å
210	A	67.3	Low	65.3	Low	2 Å²	2	58.4 Å²	58.4	2%	0.017	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-45.2	172.8	0	0	0	0	0	112.2	A98 D206 G213 I214	A98-A210 HydrophobicContact CB-CB 3.94Å; D206-A210 WeakPolarHBondContact O-CB 3.33Å; D206-A210 PolarHBondContact O-N 3.07Å; A210-G213 PolarHBondContact O-N 3.47Å; A210-I214 PolarHBondContact O-N 3.2Å
211	A	69.1	Low	65	Low	4 Å²	4	58 Å²	58	3%	0.033	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-42.3	176.6	0	0	0	0	0	111.6	M94 F176 F179 L207 R208 I214 A215	M94-A211 HydrophobicContact SD-CB 3.73Å; F176-A211 HydrophobicContact CD1-CB 4.21Å; F176-A211 WeakPolarHBondContact CE1-O 3.39Å; F179-A211 HydrophobicContact CE2-CB 4.23Å; F179-A211 HydrophobicContact CZ-CB 4.05Å; L207-A211 VanDerWaalsContact O-CB 3.23Å; L207-A211 WeakPolarHBondContact O-CB 3.41Å; L207-A211 PolarHBondContact O-N 2.9Å; R208-A211 PolarHBondContact O-N 3.06Å; A211-I214 PolarHBondContact O-N 3.17Å; A211-A215 WeakPolarHBondContact O-CA 3.19Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 3.32Å
212	M	65	Low	64.8	Low	90 Å²	90	56.3 Å²	56.3	44%	0.443	31%	0.308	S	S	.	.	H	α-helix	trans	-68.2	-35.1	178.8	-76.5	-172.4	174.9	0	0	112.6	R208 D209 I214 A215 S216	R208-M212 HydrophobicContact CG-CE 3.75Å; R208-M212 HydrophobicContact CG-CG 4.25Å; R208-M212 HydrophobicContact CG-SD 3.89Å; R208-M212 VanDerWaalsContact O-CB 3.29Å; R208-M212 WeakPolarHBondContact O-CB 3.42Å; R208-M212 VanDerWaalsContact O-CG 3.26Å; R208-M212 WeakPolarHBondContact O-CG 3.34Å; R208-M212 PolarHBondContact O-N 3.42Å; D209-M212 PolarHBondContact O-N 3.05Å; M212-I214 VanDerWaalsContact C-N 3.32Å; M212-I214 PolarHBondContact O-N 3.03Å; M212-A215 PolarHBondContact O-N 3.24Å; M212-S216 VanDerWaalsContact O-CB 3.31Å; M212-S216 WeakPolarHBondContact O-CB 3.31Å; M212-S216 PolarHBondContact O-N 3.43Å; M212-S216 PolarHBondContact O-OG 2.97Å
213	G	64.4	Low	64.7	Low	35 Å²	35	54.7 Å²	54.7	36%	0.361	31%	0.307	S	S	.	.	H	α-helix	trans	-55.7	-47.1	172.9	0	0	0	0	0	112	D209 A210 S216	D209-G213 PolarHBondContact O-N 3.36Å; A210-G213 PolarHBondContact O-N 3.47Å; G213-S216 PolarHBondContact O-OG 2.87Å; G213-S216 VanDerWaalsContact O-OG 3.04Å
214	I	64.3	Low	64.2	Low	22 Å²	22	53.8 Å²	53.8	11%	0.113	31%	0.308	C	S	.	.	H	α-helix	trans	-78.1	-40.2	178.5	-50	169.2	0	0	0	111.3	M94 C97 F176 A210 A211 M212 S216 L218	M94-I214 HydrophobicContact CG-CD1 4.14Å; C97-I214 HydrophobicContact CB-CD1 3.54Å; C97-I214 HydrophobicContact CB-CG1 4.17Å; C97-I214 VanDerWaalsContact SG-CD1 3.56Å; F176-I214 HydrophobicContact CE1-CB 4.05Å; F176-I214 HydrophobicContact CE1-CG2 4.26Å; F176-I214 HydrophobicContact CZ-CB 4.06Å; F176-I214 HydrophobicContact CZ-CG2 3.77Å; A210-I214 PolarHBondContact O-N 3.2Å; A211-I214 PolarHBondContact O-N 3.17Å; M212-I214 VanDerWaalsContact C-N 3.32Å; M212-I214 PolarHBondContact O-N 3.03Å; I214-S216 PolarHBondContact O-N 2.79Å; I214-L218 HydrophobicContact CG2-CD1 3.97Å
215	A	62.3	Low	64	Low	25 Å²	25	58.2 Å²	58.2	21%	0.207	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-31.3	-176.5	0	0	0	0	0	112.4	F176 A211 M212 L217 L218 N219	F176-A215 HydrophobicContact CD1-CB 4.24Å; F176-A215 HydrophobicContact CE1-CB 3.85Å; F176-A215 HydrophobicContact CZ-CB 4.23Å; A211-A215 WeakPolarHBondContact O-CA 3.19Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 3.32Å; M212-A215 PolarHBondContact O-N 3.24Å; A215-L217 VanDerWaalsContact C-N 3.29Å; A215-L217 PolarHBondContact O-N 2.88Å; A215-L218 CarbonylContact O-C 3.52Å; A215-L218 PolarHBondContact O-N 3.34Å; A215-N219 WeakPolarHBondContact O-CB 3.19Å; A215-N219 PolarHBondContact O-N 2.89Å
216	S	57.4	Low	64.2	Low	79 Å²	79	57.6 Å²	57.6	55%	0.552	32%	0.324	S	S	*	.	H	α-helix	trans	-57.3	-40.2	179.3	65.8	0	0	0	0	113.1	M212 G213 I214	M212-S216 VanDerWaalsContact O-CB 3.31Å; M212-S216 WeakPolarHBondContact O-CB 3.31Å; M212-S216 PolarHBondContact O-N 3.43Å; M212-S216 PolarHBondContact O-OG 2.97Å; G213-S216 PolarHBondContact O-OG 2.87Å; G213-S216 VanDerWaalsContact O-OG 3.04Å; I214-S216 PolarHBondContact O-N 2.79Å
217	L	55.4	Low	64.4	Low	110 Å²	110	56.6 Å²	56.6	58%	0.576	32%	0.318	S	S	*	.	H	α-helix	trans	-71.4	-32.6	176	-173.2	67.4	0	0	0	112.3	L106 A215	L106-L217 HydrophobicContact CD2-CD2 3.68Å; L106-L217 HydrophobicContact CG-CD2 4.36Å; A215-L217 VanDerWaalsContact C-N 3.29Å; A215-L217 PolarHBondContact O-N 2.88Å
218	L	55.8	Low	64.6	Low	21 Å²	21	61.9 Å²	61.9	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-82.4	-36.2	-178.3	-67.2	168.1	0	0	0	111.7	L172 F176 I214 A215 A220 K221 E222	L172-L218 HydrophobicContact CD1-CB 3.81Å; L172-L218 HydrophobicContact CD1-CD2 4.21Å; L172-L218 WeakPolarHBondContact CD1-O 3.43Å; F176-L218 HydrophobicContact CE2-CD1 3.49Å; F176-L218 VanDerWaalsContact CE2-CD1 3.49Å; F176-L218 HydrophobicContact CZ-CD1 3.46Å; F176-L218 VanDerWaalsContact CZ-CD1 3.46Å; I214-L218 HydrophobicContact CG2-CD1 3.97Å; A215-L218 CarbonylContact O-C 3.52Å; A215-L218 PolarHBondContact O-N 3.34Å; L218-A220 PolarHBondContact O-N 3.5Å; L218-A220 VanDerWaalsContact O-N 3.1Å; L218-K221 WeakPolarHBondContact O-CA 3.43Å; L218-K221 WeakPolarHBondContact O-CB 3.23Å; L218-K221 PolarHBondContact O-N 2.76Å; L218-E222 PolarHBondContact O-N 3.1Å; L218-E222 VanDerWaalsContact O-N 3.11Å
219	N	57.5	Low	64.9	Low	87 Å²	87	62.3 Å²	62.3	47%	0.465	35%	0.351	S	S	.	.	H	α-helix	trans	-56.2	-34.2	177.3	-151	8.3	0	0	0	111	A215 K221 E222 I223	A215-N219 WeakPolarHBondContact O-CB 3.19Å; A215-N219 PolarHBondContact O-N 2.89Å; N219-K221 VanDerWaalsContact C-N 3.33Å; N219-K221 PolarHBondContact O-N 3.42Å; N219-E222 PolarHBondContact O-N 3.06Å; N219-I223 WeakPolarHBondContact O-CD1 3.44Å; N219-I223 VanDerWaalsContact O-CG1 3.24Å; N219-I223 WeakPolarHBondContact O-CG1 3.43Å; N219-I223 PolarHBondContact O-N 3.09Å
220	A	56	Low	65.5	Low	65 Å²	65	57.4 Å²	57.4	54%	0.537	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-36.6	171.3	0	0	0	0	0	113.9	L218 G224	L218-A220 PolarHBondContact O-N 3.5Å; L218-A220 VanDerWaalsContact O-N 3.1Å; A220-G224 PolarHBondContact O-N 3.39Å; A220-G224 VanDerWaalsContact O-N 3.1Å
221	K	56.3	Low	66.3	Low	79 Å²	79	61.1 Å²	61.1	34%	0.343	34%	0.339	S	S	.	.	H	α-helix	trans	-76.9	-30.9	176.7	178.3	-173.3	179.4	-176.1	0	111.8	I66 L172 L218 N219 G224 I225	I66-K221 PolarHBondContact O-NZ 2.66Å; L172-K221 HydrophobicContact CD1-CB 3.51Å; L172-K221 HydrophobicContact CD1-CD 3.89Å; L172-K221 HydrophobicContact CD1-CG 3.79Å; L172-K221 HydrophobicContact CD2-CB 4.25Å; L172-K221 HydrophobicContact CD2-CD 3.81Å; L172-K221 HydrophobicContact CD2-CG 3.64Å; L172-K221 HydrophobicContact CG-CD 4.31Å; L172-K221 HydrophobicContact CG-CG 4.32Å; L218-K221 WeakPolarHBondContact O-CA 3.43Å; L218-K221 WeakPolarHBondContact O-CB 3.23Å; L218-K221 PolarHBondContact O-N 2.76Å; N219-K221 VanDerWaalsContact C-N 3.33Å; N219-K221 PolarHBondContact O-N 3.42Å; K221-G224 PolarHBondContact O-N 3.27Å; K221-I225 PolarHBondContact O-N 3.38Å; K221-I225 VanDerWaalsContact O-N 3.15Å
222	E	63.4	Low	67	Low	58 Å²	58	63.8 Å²	63.8	27%	0.271	36%	0.361	S	S	.	.	H	α-helix	trans	-69	-45.9	174.4	-175.1	-175.2	151.2	0	0	110.7	L172 L218 N219 G224 I225 K226	L172-E222 HydrophobicContact CD1-CB 4.25Å; L172-E222 HydrophobicContact CG-CB 4.4Å; L218-E222 PolarHBondContact O-N 3.1Å; L218-E222 VanDerWaalsContact O-N 3.11Å; N219-E222 PolarHBondContact O-N 3.06Å; E222-G224 PolarHBondContact O-N 2.83Å; E222-I225 PolarHBondContact O-N 3.07Å; E222-I225 VanDerWaalsContact O-N 3.11Å; E222-K226 PolarHBondContact O-N 2.95Å; E222-K226 VanDerWaalsContact O-N 3.13Å; E222-K226 WeakPolarHBondContact OE1-CE 3.05Å; E222-K226 IonicContact OE1-NZ 2.95Å; E222-K226 PolarHBondContact OE1-NZ 3.08Å
223	I	67.6	Low	68.1	Low	65 Å²	65	63.5 Å²	63.5	33%	0.333	36%	0.361	S	S	.	.	H	α-helix	trans	-53.8	-43.3	170.6	-67.5	164.3	0	0	0	109.7	N219 I225 K226 I227	N219-I223 WeakPolarHBondContact O-CD1 3.44Å; N219-I223 VanDerWaalsContact O-CG1 3.24Å; N219-I223 WeakPolarHBondContact O-CG1 3.43Å; N219-I223 PolarHBondContact O-N 3.09Å; I223-I225 PolarHBondContact O-N 3.48Å; I223-K226 PolarHBondContact O-N 3.48Å; I223-I227 HydrophobicContact CG2-CD1 3.66Å; I223-I227 HydrophobicContact CG2-CG1 4.31Å; I223-I227 WeakPolarHBondContact O-CB 3.4Å; I223-I227 WeakPolarHBondContact O-CG1 3.05Å; I223-I227 PolarHBondContact O-N 3.01Å
224	G	63.9	Low	69.3	Low	34 Å²	34	61.8 Å²	61.8	35%	0.351	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-38.4	176.6	0	0	0	0	0	114.9	A220 K221 E222 L228	A220-G224 PolarHBondContact O-N 3.39Å; A220-G224 VanDerWaalsContact O-N 3.1Å; K221-G224 PolarHBondContact O-N 3.27Å; E222-G224 PolarHBondContact O-N 2.83Å; G224-L228 PolarHBondContact O-N 3.49Å; G224-L228 VanDerWaalsContact O-N 3.07Å
225	I	66.5	Low	70.5	Confident	97 Å²	97	67.7 Å²	67.7	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-71.9	-44.7	178.1	-66	170.7	0	0	0	110.9	L172 K221 E222 I223 I227 L228 E229	L172-I225 HydrophobicContact CD2-CD1 3.55Å; K221-I225 PolarHBondContact O-N 3.38Å; K221-I225 VanDerWaalsContact O-N 3.15Å; E222-I225 PolarHBondContact O-N 3.07Å; E222-I225 VanDerWaalsContact O-N 3.11Å; I223-I225 PolarHBondContact O-N 3.48Å; I225-I227 VanDerWaalsContact C-N 3.27Å; I225-I227 PolarHBondContact O-N 3.24Å; I225-L228 WeakPolarHBondContact O-CB 3.27Å; I225-L228 PolarHBondContact O-N 3.01Å; I225-E229 PolarHBondContact O-N 3.25Å
226	K	73.2	Confident	71.9	Confident	72 Å²	72	69.7 Å²	69.7	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-39.2	175.2	-69.4	178.2	-174.8	164	0	111.5	E222 I223 L228 E229 D230 N640 F641	E222-K226 PolarHBondContact O-N 2.95Å; E222-K226 VanDerWaalsContact O-N 3.13Å; E222-K226 WeakPolarHBondContact OE1-CE 3.05Å; E222-K226 IonicContact OE1-NZ 2.95Å; E222-K226 PolarHBondContact OE1-NZ 3.08Å; I223-K226 PolarHBondContact O-N 3.48Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L228 PolarHBondContact O-N 2.89Å; K226-E229 PolarHBondContact O-N 3.13Å; K226-D230 WeakPolarHBondContact O-CB 3.38Å; K226-D230 PolarHBondContact O-N 3.04Å; K226-N640 HydrophobicContact CB-CB 4.48Å; K226-F641 HydrophobicContact CB-CD2 4.24Å; K226-F641 HydrophobicContact CB-CE2 3.76Å; K226-F641 HydrophobicContact CD-CE2 3.99Å; K226-F641 HydrophobicContact CD-CZ 4.44Å
227	I	76.3	Confident	73.5	Confident	40 Å²	40	69.6 Å²	69.6	21%	0.205	36%	0.362	C	S	.	.	H	α-helix	trans	-60.2	-42.1	172.1	-75.1	171.4	0	0	0	111.7	I223 I225 D230 Y231 V644	I223-I227 HydrophobicContact CG2-CD1 3.66Å; I223-I227 HydrophobicContact CG2-CG1 4.31Å; I223-I227 WeakPolarHBondContact O-CB 3.4Å; I223-I227 WeakPolarHBondContact O-CG1 3.05Å; I223-I227 PolarHBondContact O-N 3.01Å; I225-I227 VanDerWaalsContact C-N 3.27Å; I225-I227 PolarHBondContact O-N 3.24Å; I227-D230 PolarHBondContact O-N 2.68Å; I227-Y231 HydrophobicContact CG2-CD2 3.67Å; I227-Y231 HydrophobicContact CG2-CE2 3.39Å; I227-Y231 WeakPolarHBondContact O-CD2 3.27Å; I227-Y231 PolarHBondContact O-N 3.01Å; I227-V644 HydrophobicContact CB-CG1 4.49Å; I227-V644 HydrophobicContact CD1-CG2 4.43Å; I227-V644 HydrophobicContact CG1-CG1 4.17Å; I227-V644 HydrophobicContact CG1-CG2 4.04Å; I227-V644 HydrophobicContact CG2-CG1 3.91Å
228	L	75.3	Confident	75.2	Confident	122 Å²	122	65 Å²	65	64%	0.639	34%	0.338	S	S	*	.	H	α-helix	trans	-68.7	-37.8	-179.9	-168.7	139	0	0	0	112	G224 I225 K226 Y231 A232	G224-L228 PolarHBondContact O-N 3.49Å; G224-L228 VanDerWaalsContact O-N 3.07Å; I225-L228 WeakPolarHBondContact O-CB 3.27Å; I225-L228 PolarHBondContact O-N 3.01Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L228 PolarHBondContact O-N 2.89Å; L228-Y231 PolarHBondContact O-N 3.37Å; L228-A232 WeakPolarHBondContact O-CB 3.41Å; L228-A232 PolarHBondContact O-N 3.06Å
229	E	75.6	Confident	76.9	Confident	99 Å²	99	68.8 Å²	68.8	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-46	170.8	-173.5	176.9	-173	0	0	111.4	I225 K226 Y231 A232 N233	I225-E229 PolarHBondContact O-N 3.25Å; K226-E229 PolarHBondContact O-N 3.13Å; E229-Y231 VanDerWaalsContact C-N 3.27Å; E229-Y231 PolarHBondContact O-N 3.43Å; E229-A232 WeakPolarHBondContact O-CB 3.37Å; E229-A232 PolarHBondContact O-N 3.3Å; E229-A232 VanDerWaalsContact O-N 3.09Å; E229-N233 PolarHBondContact O-N 2.94Å
230	D	82.4	Confident	78.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-38.7	175.7	-70.4	-14.1	0	0	0	111.5	K226 I227 S234 L639 N640 F641	K226-D230 WeakPolarHBondContact O-CB 3.38Å; K226-D230 PolarHBondContact O-N 3.04Å; I227-D230 PolarHBondContact O-N 2.68Å; D230-S234 VanDerWaalsContact O-CB 3.27Å; D230-S234 WeakPolarHBondContact O-CB 3.49Å; D230-S234 PolarHBondContact O-N 3.15Å; D230-S234 PolarHBondContact O-OG 2.92Å; D230-L639 HydrophobicContact CB-CD2 3.97Å; D230-L639 WeakPolarHBondContact O-CD2 3.48Å; D230-N640 WeakPolarHBondContact OD1-CB 3.41Å; D230-N640 PolarHBondContact OD1-N 2.88Å; D230-N640 PolarHBondContact OD1-ND2 3.29Å; D230-F641 WeakPolarHBondContact OD2-CB 3.5Å; D230-F641 PolarHBondContact OD2-N 3.41Å
231	Y	83.7	Confident	80.3	Confident	80 Å²	80	65.5 Å²	65.5	31%	0.314	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-44.7	172.2	-80.2	-56.9	0	0	0	112.8	I227 L228 E229 N233 S234 W235 I238 V644 T648	I227-Y231 HydrophobicContact CG2-CD2 3.67Å; I227-Y231 HydrophobicContact CG2-CE2 3.39Å; I227-Y231 WeakPolarHBondContact O-CD2 3.27Å; I227-Y231 PolarHBondContact O-N 3.01Å; L228-Y231 PolarHBondContact O-N 3.37Å; E229-Y231 VanDerWaalsContact C-N 3.27Å; E229-Y231 PolarHBondContact O-N 3.43Å; Y231-N233 PolarHBondContact O-N 3.42Å; Y231-S234 PolarHBondContact O-N 3.47Å; Y231-S234 VanDerWaalsContact O-N 3.16Å; Y231-W235 WeakPolarHBondContact O-CB 3.38Å; Y231-W235 PolarHBondContact O-N 3.41Å; Y231-I238 HydrophobicContact CD1-CD1 3.81Å; Y231-I238 HydrophobicContact CE1-CD1 3.99Å; Y231-V644 HydrophobicContact CE2-CG1 4.24Å; Y231-T648 HydrophobicContact CE1-CG2 3.84Å; Y231-T648 PolarHBondContact OH-OG1 3.01Å
232	A	85.7	Confident	82.1	Confident	59 Å²	59	63.4 Å²	63.4	49%	0.488	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-30.9	179.1	0	0	0	0	0	112	L228 E229	L228-A232 WeakPolarHBondContact O-CB 3.41Å; L228-A232 PolarHBondContact O-N 3.06Å; E229-A232 WeakPolarHBondContact O-CB 3.37Å; E229-A232 PolarHBondContact O-N 3.3Å; E229-A232 VanDerWaalsContact O-N 3.09Å
233	N	86.8	Confident	83.4	Confident	84 Å²	84	62.3 Å²	62.3	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-86.9	-24.7	177.1	-67.3	-20.5	0	0	0	113.6	E229 Y231 P637 L639	E229-N233 PolarHBondContact O-N 2.94Å; Y231-N233 PolarHBondContact O-N 3.42Å; N233-P637 HydrophobicContact CB-CB 4.37Å; N233-L639 HydrophobicContact CB-CD2 4.37Å
234	S	89.6	Confident	84.7	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-110.6	-7.3	-172.6	64.3	0	0	0	0	116.3	D230 Y231 V236 W237 I238 P645	D230-S234 VanDerWaalsContact O-CB 3.27Å; D230-S234 WeakPolarHBondContact O-CB 3.49Å; D230-S234 PolarHBondContact O-N 3.15Å; D230-S234 PolarHBondContact O-OG 2.92Å; Y231-S234 PolarHBondContact O-N 3.47Å; Y231-S234 VanDerWaalsContact O-N 3.16Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact O-N 2.87Å; S234-V236 VanDerWaalsContact O-N 3.15Å; S234-W237 PolarHBondContact O-N 3.41Å; S234-I238 PolarHBondContact O-N 3.37Å; S234-I238 VanDerWaalsContact O-N 3.08Å; S234-P645 WeakPolarHBondContact OG-CG 3.17Å
235	W	90	Very high	86.2	Confident	146 Å²	146	61.7 Å²	61.7	55%	0.553	32%	0.315	S	S	*	.	H	α-helix	trans	-55.2	-38.3	-170.4	68.9	-84.2	0	0	0	114.6	Y231 W237 I238 L239	Y231-W235 WeakPolarHBondContact O-CB 3.38Å; Y231-W235 PolarHBondContact O-N 3.41Å; W235-W237 VanDerWaalsContact C-N 3.34Å; W235-W237 PolarHBondContact O-N 3.27Å; W235-I238 PolarHBondContact O-N 3.2Å; W235-L239 HydrophobicContact CE3-CD1 3.54Å; W235-L239 HydrophobicContact CE3-CG 4.35Å; W235-L239 HydrophobicContact CZ3-CD1 3.63Å; W235-L239 WeakPolarHBondContact O-CG 3.4Å; W235-L239 PolarHBondContact O-N 2.84Å
236	V	91.2	Very high	87.3	Confident	66 Å²	66	60 Å²	60	40%	0.4	31%	0.306	S	S	.	.	H	α-helix	trans	-61.4	-44.2	178.8	-178.8	0	0	0	0	110.8	S234 L239 I240	S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact O-N 2.87Å; S234-V236 VanDerWaalsContact O-N 3.15Å; V236-L239 PolarHBondContact O-N 3.13Å; V236-I240 HydrophobicContact CG1-CD1 4.04Å; V236-I240 WeakPolarHBondContact O-CG1 3.46Å; V236-I240 PolarHBondContact O-N 2.87Å
237	W	90.6	Very high	88.2	Confident	78 Å²	78	60.7 Å²	60.7	30%	0.295	32%	0.316	S	S	.	.	H	α-helix	trans	-68.2	-37.9	178.7	-63.6	110.5	0	0	0	112	S234 W235 L239 I240 G241 F624 M635	S234-W237 PolarHBondContact O-N 3.41Å; W235-W237 VanDerWaalsContact C-N 3.34Å; W235-W237 PolarHBondContact O-N 3.27Å; W237-L239 VanDerWaalsContact C-N 3.34Å; W237-I240 HydrophobicContact CE3-CD1 4.04Å; W237-I240 HydrophobicContact CZ3-CD1 4.28Å; W237-I240 PolarHBondContact O-N 2.89Å; W237-G241 PolarHBondContact O-N 3.26Å; W237-F624 HydrophobicContact CB-CE1 4.25Å; W237-F624 AromaticContact CD2-CE1 3.9Å; W237-F624 HydrophobicContact CD2-CE1 3.9Å; W237-F624 AromaticContact CD2-CZ 3.58Å; W237-F624 HydrophobicContact CD2-CZ 3.58Å; W237-F624 AromaticContact CE2-CZ 3.85Å; W237-F624 HydrophobicContact CE3-CE1 4.09Å; W237-F624 HydrophobicContact CE3-CE2 4.24Å; W237-F624 AromaticContact CE3-CZ 3.56Å; W237-F624 HydrophobicContact CE3-CZ 3.56Å; W237-F624 AromaticContact CG-CE1 3.97Å; W237-F624 HydrophobicContact CG-CE1 3.97Å; W237-F624 HydrophobicContact CG-CZ 4.14Å; W237-F624 HydrophobicContact CH2-CE2 4.46Å; W237-F624 HydrophobicContact CH2-CZ 4.11Å; W237-F624 HydrophobicContact CZ2-CZ 4.12Å; W237-F624 HydrophobicContact CZ3-CE2 4.16Å; W237-F624 AromaticContact CZ3-CZ 3.84Å; W237-F624 HydrophobicContact CZ3-CZ 3.84Å; W237-M635 HydrophobicContact CH2-CB 4.1Å; W237-M635 HydrophobicContact CH2-SD 4.28Å; W237-M635 HydrophobicContact CZ2-CB 3.91Å
238	I	90.9	Very high	89	Confident	13 Å²	13	63.8 Å²	63.8	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-47.2	172.3	-62.4	172	0	0	0	109.6	Y231 S234 W235 I240 G241 L242 P645	Y231-I238 HydrophobicContact CD1-CD1 3.81Å; Y231-I238 HydrophobicContact CE1-CD1 3.99Å; S234-I238 PolarHBondContact O-N 3.37Å; S234-I238 VanDerWaalsContact O-N 3.08Å; W235-I238 PolarHBondContact O-N 3.2Å; I238-I240 PolarHBondContact O-N 3.31Å; I238-G241 PolarHBondContact O-N 3.28Å; I238-L242 HydrophobicContact CG2-CD1 4.05Å; I238-L242 HydrophobicContact CG2-CG 4.36Å; I238-L242 VanDerWaalsContact O-CG 3.3Å; I238-L242 WeakPolarHBondContact O-CG 3.47Å; I238-L242 PolarHBondContact O-N 2.95Å; I238-P645 HydrophobicContact CD1-CB 4.08Å; I238-P645 HydrophobicContact CG1-CB 4.36Å
239	L	91.8	Very high	89.8	Confident	101 Å²	101	58 Å²	58	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-42.1	178.5	-71.9	-178.1	0	0	0	112.9	W235 V236 W237 G241 L242 G243	W235-L239 HydrophobicContact CE3-CD1 3.54Å; W235-L239 HydrophobicContact CE3-CG 4.35Å; W235-L239 HydrophobicContact CZ3-CD1 3.63Å; W235-L239 WeakPolarHBondContact O-CG 3.4Å; W235-L239 PolarHBondContact O-N 2.84Å; V236-L239 PolarHBondContact O-N 3.13Å; W237-L239 VanDerWaalsContact C-N 3.34Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-G241 PolarHBondContact O-N 3.2Å; L239-L242 PolarHBondContact O-N 2.86Å; L239-G243 PolarHBondContact O-N 3.41Å
240	I	92.5	Very high	90.3	Very high	80 Å²	80	55.4 Å²	55.4	41%	0.41	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-45.8	174.5	-68.9	162	0	0	0	110.2	V236 W237 I238 L242 G243 M244	V236-I240 HydrophobicContact CG1-CD1 4.04Å; V236-I240 WeakPolarHBondContact O-CG1 3.46Å; V236-I240 PolarHBondContact O-N 2.87Å; W237-I240 HydrophobicContact CE3-CD1 4.04Å; W237-I240 HydrophobicContact CZ3-CD1 4.28Å; W237-I240 PolarHBondContact O-N 2.89Å; I238-I240 PolarHBondContact O-N 3.31Å; I240-L242 PolarHBondContact O-N 3.36Å; I240-G243 PolarHBondContact O-N 2.97Å; I240-M244 HydrophobicContact CG2-CE 4.23Å; I240-M244 WeakPolarHBondContact O-CG 3.4Å; I240-M244 PolarHBondContact O-N 3.35Å
241	G	92.9	Very high	90.6	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-57.1	-46.9	176.2	0	0	0	0	0	112.9	W237 I238 L239 G243 M244 T245	W237-G241 PolarHBondContact O-N 3.26Å; I238-G241 PolarHBondContact O-N 3.28Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-G241 PolarHBondContact O-N 3.2Å; G241-G243 VanDerWaalsContact C-N 3.35Å; G241-G243 PolarHBondContact O-N 3.27Å; G241-M244 PolarHBondContact O-N 2.99Å; G241-T245 PolarHBondContact O-N 3.36Å; G241-T245 PolarHBondContact O-OG1 2.98Å
242	L	93.3	Very high	90.8	Very high	36 Å²	36	55.5 Å²	55.5	19%	0.188	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-36.8	176.4	-66.7	177.2	0	0	0	112.4	I238 L239 I240 T245 M246 L649 I656	I238-L242 HydrophobicContact CG2-CD1 4.05Å; I238-L242 HydrophobicContact CG2-CG 4.36Å; I238-L242 VanDerWaalsContact O-CG 3.3Å; I238-L242 WeakPolarHBondContact O-CG 3.47Å; I238-L242 PolarHBondContact O-N 2.95Å; L239-L242 PolarHBondContact O-N 2.86Å; I240-L242 PolarHBondContact O-N 3.36Å; L242-T245 WeakPolarHBondContact O-CB 3.46Å; L242-T245 PolarHBondContact O-N 3.47Å; L242-M246 PolarHBondContact O-N 3.23Å; L242-M246 VanDerWaalsContact O-N 3.09Å; L242-L649 HydrophobicContact CD2-CD1 3.89Å; L242-L649 HydrophobicContact CG-CD1 3.99Å; L242-I656 HydrophobicContact CB-CD1 3.66Å; L242-I656 HydrophobicContact CD2-CD1 3.67Å; L242-I656 HydrophobicContact CG-CD1 4.13Å
243	G	92.4	Very high	90.7	Very high	35 Å²	35	52.9 Å²	52.9	36%	0.361	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-44.7	173	0	0	0	0	0	112.3	L239 I240 G241 T245 M246 V247	L239-G243 PolarHBondContact O-N 3.41Å; I240-G243 PolarHBondContact O-N 2.97Å; G241-G243 VanDerWaalsContact C-N 3.35Å; G241-G243 PolarHBondContact O-N 3.27Å; G243-T245 VanDerWaalsContact C-N 3.32Å; G243-T245 PolarHBondContact O-N 2.68Å; G243-M246 WeakPolarHBondContact O-CB 3.31Å; G243-M246 PolarHBondContact O-N 2.98Å; G243-V247 PolarHBondContact O-N 2.88Å; G243-V247 VanDerWaalsContact O-N 3.13Å
244	M	94	Very high	90.4	Very high	85 Å²	85	52.4 Å²	52.4	42%	0.419	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-40.8	173	-69.6	-171.8	-66.7	0	0	111.6	I240 G241 M246 V247 F248	I240-M244 HydrophobicContact CG2-CE 4.23Å; I240-M244 WeakPolarHBondContact O-CG 3.4Å; I240-M244 PolarHBondContact O-N 3.35Å; G241-M244 PolarHBondContact O-N 2.99Å; M244-M246 VanDerWaalsContact C-N 3.29Å; M244-M246 PolarHBondContact O-N 3.44Å; M244-V247 PolarHBondContact O-N 3.32Å; M244-F248 HydrophobicContact CB-CD2 4.35Å; M244-F248 HydrophobicContact CB-CE2 4.25Å; M244-F248 WeakPolarHBondContact O-CD2 3.04Å; M244-F248 PolarHBondContact O-N 2.73Å
245	T	94.9	Very high	90.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-55.9	-44.3	173.8	-53.9	0	0	0	0	112.3	G241 L242 G243 F248 S249 I613 I617 S653 I656 T657	G241-T245 PolarHBondContact O-N 3.36Å; G241-T245 PolarHBondContact O-OG1 2.98Å; L242-T245 WeakPolarHBondContact O-CB 3.46Å; L242-T245 PolarHBondContact O-N 3.47Å; G243-T245 VanDerWaalsContact C-N 3.32Å; G243-T245 PolarHBondContact O-N 2.68Å; T245-F248 PolarHBondContact O-N 3.14Å; T245-S249 VanDerWaalsContact O-CB 3.26Å; T245-S249 WeakPolarHBondContact O-CB 3.5Å; T245-S249 PolarHBondContact O-N 3.28Å; T245-S249 PolarHBondContact O-OG 2.85Å; T245-I613 HydrophobicContact CG2-CG2 4.26Å; T245-I617 HydrophobicContact CG2-CD1 3.92Å; T245-I617 WeakPolarHBondContact OG1-CD1 3.23Å; T245-S653 WeakPolarHBondContact CG2-O 3.21Å; T245-S653 WeakPolarHBondContact CG2-OG 3.29Å; T245-S653 WeakPolarHBondContact OG1-CB 3.43Å; T245-S653 PolarHBondContact OG1-OG 2.87Å; T245-I656 HydrophobicContact CG2-CB 4.07Å; T245-I656 HydrophobicContact CG2-CG2 3.94Å; T245-T657 VanDerWaalsContact CG2-OG1 3.25Å; T245-T657 WeakPolarHBondContact CG2-OG1 3.33Å
246	M	91.1	Very high	89.6	Confident	62 Å²	62	49.3 Å²	49.3	31%	0.305	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-46.6	178.9	-177.7	172.4	178.6	0	0	111.1	L242 G243 M244 S249 L250 I656 F660	L242-M246 PolarHBondContact O-N 3.23Å; L242-M246 VanDerWaalsContact O-N 3.09Å; G243-M246 WeakPolarHBondContact O-CB 3.31Å; G243-M246 PolarHBondContact O-N 2.98Å; M244-M246 VanDerWaalsContact C-N 3.29Å; M244-M246 PolarHBondContact O-N 3.44Å; M246-S249 PolarHBondContact O-N 3.42Å; M246-L250 HydrophobicContact CE-CD1 4.39Å; M246-L250 HydrophobicContact CG-CD1 4.14Å; M246-L250 WeakPolarHBondContact O-CB 3.35Å; M246-L250 VanDerWaalsContact O-CG 3.32Å; M246-L250 WeakPolarHBondContact O-CG 3.49Å; M246-L250 PolarHBondContact O-N 2.88Å; M246-I656 HydrophobicContact CB-CG2 4.37Å; M246-F660 HydrophobicContact CB-CE2 4.3Å; M246-F660 HydrophobicContact CE-CZ 3.96Å; M246-F660 HydrophobicContact CG-CE2 3.75Å; M246-F660 HydrophobicContact CG-CZ 3.64Å; M246-F660 HydrophobicContact SD-CZ 4.34Å
247	V	91.8	Very high	89.1	Confident	87 Å²	87	49 Å²	49	53%	0.527	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-45.4	178.9	178.2	0	0	0	0	111.5	G243 M244 S249 L250 S251	G243-V247 PolarHBondContact O-N 2.88Å; G243-V247 VanDerWaalsContact O-N 3.13Å; M244-V247 PolarHBondContact O-N 3.32Å; V247-S249 PolarHBondContact O-N 3.31Å; V247-L250 PolarHBondContact O-N 3.1Å; V247-S251 VanDerWaalsContact O-CB 3.28Å; V247-S251 WeakPolarHBondContact O-CB 3.29Å; V247-S251 PolarHBondContact O-N 3.35Å; V247-S251 PolarHBondContact O-OG 2.81Å
248	F	92.5	Very high	88.6	Confident	104 Å²	104	52.7 Å²	52.7	46%	0.456	27%	0.271	S	S	.	.	H	α-helix	trans	-65.2	-38.8	177.7	-74.7	-53.3	0	0	0	112.3	M244 T245 S251 F252 I613 I617	M244-F248 HydrophobicContact CB-CD2 4.35Å; M244-F248 HydrophobicContact CB-CE2 4.25Å; M244-F248 WeakPolarHBondContact O-CD2 3.04Å; M244-F248 PolarHBondContact O-N 2.73Å; T245-F248 PolarHBondContact O-N 3.14Å; F248-S251 PolarHBondContact O-N 2.83Å; F248-F252 VanDerWaalsContact O-CB 3.31Å; F248-F252 WeakPolarHBondContact O-CB 3.5Å; F248-F252 PolarHBondContact O-N 3.15Å; F248-I613 HydrophobicContact CB-CG2 4.28Å; F248-I617 HydrophobicContact CD2-CD1 4.1Å; F248-I617 HydrophobicContact CD2-CG1 4.4Å
249	S	91.6	Very high	88.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-45.3	175.7	-62.6	0	0	0	0	112.1	T245 M246 V247 F252 I253	T245-S249 VanDerWaalsContact O-CB 3.26Å; T245-S249 WeakPolarHBondContact O-CB 3.5Å; T245-S249 PolarHBondContact O-N 3.28Å; T245-S249 PolarHBondContact O-OG 2.85Å; M246-S249 PolarHBondContact O-N 3.42Å; V247-S249 PolarHBondContact O-N 3.31Å; S249-F252 PolarHBondContact O-N 2.96Å; S249-I253 WeakPolarHBondContact O-CG1 3.41Å; S249-I253 PolarHBondContact O-N 3.12Å; S249-I253 VanDerWaalsContact O-N 3.14Å
250	L	86.8	Confident	87.3	Confident	45 Å²	45	51 Å²	51	24%	0.236	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-47.2	175.8	-73.5	170.2	0	0	0	111.5	M246 V247 F252 I253 L254 L364 F660	M246-L250 HydrophobicContact CE-CD1 4.39Å; M246-L250 HydrophobicContact CG-CD1 4.14Å; M246-L250 WeakPolarHBondContact O-CB 3.35Å; M246-L250 VanDerWaalsContact O-CG 3.32Å; M246-L250 WeakPolarHBondContact O-CG 3.49Å; M246-L250 PolarHBondContact O-N 2.88Å; V247-L250 PolarHBondContact O-N 3.1Å; L250-F252 VanDerWaalsContact C-N 3.29Å; L250-F252 PolarHBondContact O-N 3.31Å; L250-I253 PolarHBondContact O-N 2.95Å; L250-L254 WeakPolarHBondContact O-CG 3.49Å; L250-L254 PolarHBondContact O-N 3.16Å; L250-L364 HydrophobicContact CD2-CB 4.2Å; L250-L364 HydrophobicContact CD2-CD1 3.72Å; L250-L364 HydrophobicContact CD2-CD2 4.35Å; L250-L364 HydrophobicContact CD2-CG 4.32Å; L250-F660 HydrophobicContact CD2-CD1 4.03Å; L250-F660 HydrophobicContact CD2-CE1 3.61Å; L250-F660 HydrophobicContact CD2-CZ 4.34Å; L250-F660 HydrophobicContact CG-CE1 4.02Å; L250-F660 HydrophobicContact CG-CZ 4.29Å
251	S	87.9	Confident	86.7	Confident	58 Å²	58	50.1 Å²	50.1	41%	0.406	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-42.3	178	-59.4	0	0	0	0	111.2	V247 F248 L254 L255	V247-S251 VanDerWaalsContact O-CB 3.28Å; V247-S251 WeakPolarHBondContact O-CB 3.29Å; V247-S251 PolarHBondContact O-N 3.35Å; V247-S251 PolarHBondContact O-OG 2.81Å; F248-S251 PolarHBondContact O-N 2.83Å; S251-L254 PolarHBondContact O-N 3.06Å; S251-L255 VanDerWaalsContact O-CB 3.26Å; S251-L255 WeakPolarHBondContact O-CB 3.33Å; S251-L255 PolarHBondContact O-N 2.98Å
252	F	87.8	Confident	86.3	Confident	24 Å²	24	53.8 Å²	53.8	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-47.9	176.7	-176.6	-90.3	0	0	0	112.1	F248 S249 L250 L254 L255 M256 V263 M267 I613 F661	F248-F252 VanDerWaalsContact O-CB 3.31Å; F248-F252 WeakPolarHBondContact O-CB 3.5Å; F248-F252 PolarHBondContact O-N 3.15Å; S249-F252 PolarHBondContact O-N 2.96Å; L250-F252 VanDerWaalsContact C-N 3.29Å; L250-F252 PolarHBondContact O-N 3.31Å; F252-L254 VanDerWaalsContact C-N 3.29Å; F252-L254 PolarHBondContact O-N 3.45Å; F252-L255 PolarHBondContact O-N 3.02Å; F252-M256 HydrophobicContact CD1-CG 4.16Å; F252-M256 HydrophobicContact CE1-CG 3.83Å; F252-M256 HydrophobicContact CE1-SD 4.37Å; F252-M256 HydrophobicContact CZ-CG 4.2Å; F252-M256 HydrophobicContact CZ-SD 4.2Å; F252-M256 WeakPolarHBondContact O-CG 3.44Å; F252-M256 PolarHBondContact O-N 3.31Å; F252-V263 HydrophobicContact CD2-CG1 4.46Å; F252-V263 HydrophobicContact CE2-CG1 3.77Å; F252-V263 HydrophobicContact CZ-CG1 4.32Å; F252-M267 HydrophobicContact CE2-CE 3.76Å; F252-M267 HydrophobicContact CE2-SD 4.23Å; F252-M267 HydrophobicContact CZ-CE 4.22Å; F252-I613 HydrophobicContact CB-CD1 3.9Å; F252-I613 HydrophobicContact CD1-CD1 4.46Å; F252-I613 HydrophobicContact CD2-CD1 4.36Å; F252-I613 HydrophobicContact CG-CD1 4Å; F252-F661 HydrophobicContact CD1-CE1 4.05Å; F252-F661 HydrophobicContact CD1-CE2 4.09Å; F252-F661 AromaticContact CD1-CZ 3.35Å; F252-F661 HydrophobicContact CD1-CZ 3.35Å; F252-F661 AromaticContact CE1-CE1 3.7Å; F252-F661 HydrophobicContact CE1-CE1 3.7Å; F252-F661 AromaticContact CE1-CZ 3.46Å; F252-F661 HydrophobicContact CE1-CZ 3.46Å; F252-F661 VanDerWaalsContact CE1-CZ 3.46Å; F252-F661 HydrophobicContact CG-CZ 4.19Å; F252-F661 HydrophobicContact CZ-CZ 4.36Å
253	I	84.1	Confident	85.8	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-37.5	179.4	-68.9	169.8	0	0	0	111.6	S249 L250 S354 I357 L364 F660 Y664	S249-I253 WeakPolarHBondContact O-CG1 3.41Å; S249-I253 PolarHBondContact O-N 3.12Å; S249-I253 VanDerWaalsContact O-N 3.14Å; L250-I253 PolarHBondContact O-N 2.95Å; I253-S354 PolarHBondContact O-OG 2.92Å; I253-S354 VanDerWaalsContact O-OG 3.06Å; I253-I357 HydrophobicContact CG2-CD1 4.38Å; I253-I357 HydrophobicContact CG2-CG2 4.33Å; I253-L364 HydrophobicContact CD1-CD2 4.24Å; I253-F660 HydrophobicContact CD1-CB 3.92Å; I253-Y664 HydrophobicContact CG2-CD2 4.13Å
254	L	81.7	Confident	85.1	Confident	73 Å²	73	51 Å²	51	38%	0.382	26%	0.263	S	S	.	.	H	α-helix	trans	-71.5	-41.1	175.9	-67.5	173.9	0	0	0	112	L250 S251 F252 M256 R257 F358	L250-L254 WeakPolarHBondContact O-CG 3.49Å; L250-L254 PolarHBondContact O-N 3.16Å; S251-L254 PolarHBondContact O-N 3.06Å; F252-L254 VanDerWaalsContact C-N 3.29Å; F252-L254 PolarHBondContact O-N 3.45Å; L254-M256 VanDerWaalsContact C-N 3.3Å; L254-M256 PolarHBondContact O-N 2.86Å; L254-R257 WeakPolarHBondContact O-CB 3.22Å; L254-R257 PolarHBondContact O-N 3.41Å; L254-R257 VanDerWaalsContact O-N 3.11Å; L254-F358 HydrophobicContact CD2-CD2 4.28Å
255	L	82.6	Confident	84.7	Confident	79 Å²	79	52.9 Å²	52.9	41%	0.414	27%	0.265	S	S	.	.	H	α-helix	trans	-64.3	-36	179.4	-169.6	69	0	0	0	112	S251 F252 R257 Y258 I259 V263	S251-L255 VanDerWaalsContact O-CB 3.26Å; S251-L255 WeakPolarHBondContact O-CB 3.33Å; S251-L255 PolarHBondContact O-N 2.98Å; F252-L255 PolarHBondContact O-N 3.02Å; L255-R257 PolarHBondContact O-N 3.46Å; L255-Y258 PolarHBondContact O-N 3.21Å; L255-I259 HydrophobicContact CD1-CD1 3.83Å; L255-I259 HydrophobicContact CD1-CG1 3.94Å; L255-I259 HydrophobicContact CD2-CD1 4.3Å; L255-I259 HydrophobicContact CG-CD1 4Å; L255-I259 HydrophobicContact CG-CG1 3.95Å; L255-I259 PolarHBondContact O-N 3.06Å; L255-V263 HydrophobicContact CD2-CG2 3.6Å; L255-V263 HydrophobicContact CG-CG2 3.83Å
256	M	80	Confident	84.3	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-55.8	-20	174.2	-77.8	-59.8	-69.9	0	0	113.1	F252 L254 A260 V263 L264 M350	F252-M256 HydrophobicContact CD1-CG 4.16Å; F252-M256 HydrophobicContact CE1-CG 3.83Å; F252-M256 HydrophobicContact CE1-SD 4.37Å; F252-M256 HydrophobicContact CZ-CG 4.2Å; F252-M256 HydrophobicContact CZ-SD 4.2Å; F252-M256 WeakPolarHBondContact O-CG 3.44Å; F252-M256 PolarHBondContact O-N 3.31Å; L254-M256 VanDerWaalsContact C-N 3.3Å; L254-M256 PolarHBondContact O-N 2.86Å; M256-A260 HydrophobicContact CE-CB 3.73Å; M256-A260 WeakPolarHBondContact O-CB 3.34Å; M256-A260 PolarHBondContact O-N 3.22Å; M256-A260 HydrophobicContact SD-CB 4.32Å; M256-V263 HydrophobicContact SD-CB 4.1Å; M256-V263 HydrophobicContact SD-CG1 3.92Å; M256-L264 HydrophobicContact CE-CD1 3.73Å; M256-L264 HydrophobicContact CE-CD2 4.05Å; M256-L264 HydrophobicContact CE-CG 3.8Å; M256-L264 HydrophobicContact SD-CD2 4.32Å; M256-L264 HydrophobicContact SD-CG 4.18Å; M256-M350 HydrophobicContact CE-CE 3.47Å; M256-M350 VanDerWaalsContact CE-CE 3.47Å; M256-M350 HydrophobicContact CE-SD 4.15Å
257	R	80.4	Confident	83.9	Confident	60 Å²	60	56.7 Å²	56.7	23%	0.226	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-47.1	173.6	-177.4	178.6	168.2	172.2	-0.1	113.4	L254 L255 S354	L254-R257 WeakPolarHBondContact O-CB 3.22Å; L254-R257 PolarHBondContact O-N 3.41Å; L254-R257 VanDerWaalsContact O-N 3.11Å; L255-R257 PolarHBondContact O-N 3.46Å; R257-S354 WeakPolarHBondContact CB-OG 3.22Å; R257-S354 PolarHBondContact N-OG 3.33Å
258	Y	78.9	Confident	83.5	Confident	155 Å²	155	52.9 Å²	52.9	61%	0.608	26%	0.262	S	S	*	.	H	α-helix	trans	-90.4	-39.9	-165.4	-62.2	-77.7	0	0	0	111.2	L255	L255-Y258 PolarHBondContact O-N 3.21Å
259	I	81.4	Confident	83.3	Confident	71 Å²	71	50.8 Å²	50.8	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-136.5	35.8	-170.3	52.4	160.2	0	0	0	112.6	L255 C261 V262 V263	L255-I259 HydrophobicContact CD1-CD1 3.83Å; L255-I259 HydrophobicContact CD1-CG1 3.94Å; L255-I259 HydrophobicContact CD2-CD1 4.3Å; L255-I259 HydrophobicContact CG-CD1 4Å; L255-I259 HydrophobicContact CG-CG1 3.95Å; L255-I259 PolarHBondContact O-N 3.06Å; I259-C261 PolarHBondContact O-N 3.23Å; I259-C261 VanDerWaalsContact O-N 3.1Å; I259-V262 HydrophobicContact CB-CB 4.18Å; I259-V262 HydrophobicContact CB-CG2 4.45Å; I259-V262 PolarHBondContact O-N 3.45Å; I259-V263 HydrophobicContact CB-CG2 4.4Å; I259-V263 HydrophobicContact CD1-CG2 3.58Å; I259-V263 HydrophobicContact CG1-CG2 3.6Å; I259-V263 WeakPolarHBondContact O-CG2 3.19Å; I259-V263 PolarHBondContact O-N 2.8Å
260	A	75.5	Confident	83	Confident	8 Å²	8	52.5 Å²	52.5	7%	0.066	28%	0.278	C	S	.	.	H	α-helix	trans	-42.4	-48.9	177.9	0	0	0	0	0	113.7	M256 L264	M256-A260 HydrophobicContact CE-CB 3.73Å; M256-A260 WeakPolarHBondContact O-CB 3.34Å; M256-A260 PolarHBondContact O-N 3.22Å; M256-A260 HydrophobicContact SD-CB 4.32Å; A260-L264 WeakPolarHBondContact O-CB 3.47Å; A260-L264 WeakPolarHBondContact O-CG 3.4Å; A260-L264 PolarHBondContact O-N 3.33Å
261	C	80.2	Confident	82.9	Confident	61 Å²	61	52 Å²	52	41%	0.412	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-50.7	-179.4	-170.8	0	0	0	0	111	I259 L264 W265	I259-C261 PolarHBondContact O-N 3.23Å; I259-C261 VanDerWaalsContact O-N 3.1Å; C261-L264 PolarHBondContact O-N 3.17Å; C261-W265 PolarHBondContact O-N 2.91Å; C261-W265 VanDerWaalsContact O-N 3.07Å
262	V	84.4	Confident	82.9	Confident	78 Å²	78	52 Å²	52	47%	0.473	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-46.2	-177.9	-177.6	0	0	0	0	110.9	I259 L264 W265 L266	I259-V262 HydrophobicContact CB-CB 4.18Å; I259-V262 HydrophobicContact CB-CG2 4.45Å; I259-V262 PolarHBondContact O-N 3.45Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 3.13Å; V262-W265 PolarHBondContact O-N 3.48Å; V262-L266 HydrophobicContact CG1-CD1 3.8Å; V262-L266 HydrophobicContact CG1-CG 4.16Å; V262-L266 WeakPolarHBondContact O-CB 3.45Å; V262-L266 VanDerWaalsContact O-CG 3.26Å; V262-L266 WeakPolarHBondContact O-CG 3.18Å; V262-L266 PolarHBondContact O-N 3.06Å
263	V	81.8	Confident	83	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-46.3	179.3	173	0	0	0	0	110.6	F252 L255 M256 I259 L266 M267	F252-V263 HydrophobicContact CD2-CG1 4.46Å; F252-V263 HydrophobicContact CE2-CG1 3.77Å; F252-V263 HydrophobicContact CZ-CG1 4.32Å; L255-V263 HydrophobicContact CD2-CG2 3.6Å; L255-V263 HydrophobicContact CG-CG2 3.83Å; M256-V263 HydrophobicContact SD-CB 4.1Å; M256-V263 HydrophobicContact SD-CG1 3.92Å; I259-V263 HydrophobicContact CB-CG2 4.4Å; I259-V263 HydrophobicContact CD1-CG2 3.58Å; I259-V263 HydrophobicContact CG1-CG2 3.6Å; I259-V263 WeakPolarHBondContact O-CG2 3.19Å; I259-V263 PolarHBondContact O-N 2.8Å; V263-L266 PolarHBondContact O-N 2.95Å; V263-M267 HydrophobicContact CG1-CG 4.19Å; V263-M267 WeakPolarHBondContact O-CB 3.34Å; V263-M267 WeakPolarHBondContact O-CG 3.14Å; V263-M267 PolarHBondContact O-N 3.43Å
264	L	78.1	Confident	83.1	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-41.7	-179.3	-69.2	175.6	0	0	0	112.3	M256 A260 C261 V262 M267 I268 F347 M350 L605	M256-L264 HydrophobicContact CE-CD1 3.73Å; M256-L264 HydrophobicContact CE-CD2 4.05Å; M256-L264 HydrophobicContact CE-CG 3.8Å; M256-L264 HydrophobicContact SD-CD2 4.32Å; M256-L264 HydrophobicContact SD-CG 4.18Å; A260-L264 WeakPolarHBondContact O-CB 3.47Å; A260-L264 WeakPolarHBondContact O-CG 3.4Å; A260-L264 PolarHBondContact O-N 3.33Å; C261-L264 PolarHBondContact O-N 3.17Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 3.13Å; L264-M267 PolarHBondContact O-N 2.75Å; L264-I268 WeakPolarHBondContact O-CB 3.28Å; L264-I268 WeakPolarHBondContact O-CD1 3.46Å; L264-I268 VanDerWaalsContact O-CG1 3.24Å; L264-I268 WeakPolarHBondContact O-CG1 3.25Å; L264-I268 PolarHBondContact O-N 2.89Å; L264-F347 HydrophobicContact CD1-CD1 3.68Å; L264-F347 HydrophobicContact CD1-CE1 3.29Å; L264-F347 HydrophobicContact CD1-CZ 4.22Å; L264-M350 HydrophobicContact CD1-SD 4.22Å; L264-L605 HydrophobicContact CD1-CD1 3.96Å; L264-L605 HydrophobicContact CD1-CD2 4.21Å; L264-L605 HydrophobicContact CD2-CB 4.45Å; L264-L605 HydrophobicContact CD2-CD2 4.12Å
265	W	84.3	Confident	83.3	Confident	124 Å²	124	56.4 Å²	56.4	47%	0.47	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-43.3	174.2	-79.4	112.7	0	0	0	112.2	C261 V262 M267 I268 C269	C261-W265 PolarHBondContact O-N 2.91Å; C261-W265 VanDerWaalsContact O-N 3.07Å; V262-W265 PolarHBondContact O-N 3.48Å; W265-M267 VanDerWaalsContact C-N 3.3Å; W265-M267 PolarHBondContact O-N 3.22Å; W265-I268 PolarHBondContact O-N 3.24Å; W265-C269 WeakPolarHBondContact O-CB 3.2Å; W265-C269 PolarHBondContact O-N 3.4Å; W265-C269 PolarHBondContact O-SG 3.5Å
266	L	86.7	Confident	83.6	Confident	115 Å²	115	54.9 Å²	54.9	60%	0.602	31%	0.307	S	S	*	.	H	α-helix	trans	-59.8	-40.7	175.1	-74.2	174.6	0	0	0	111.9	V262 V263 G270	V262-L266 HydrophobicContact CG1-CD1 3.8Å; V262-L266 HydrophobicContact CG1-CG 4.16Å; V262-L266 WeakPolarHBondContact O-CB 3.45Å; V262-L266 VanDerWaalsContact O-CG 3.26Å; V262-L266 WeakPolarHBondContact O-CG 3.18Å; V262-L266 PolarHBondContact O-N 3.06Å; V263-L266 PolarHBondContact O-N 2.95Å; L266-G270 WeakPolarHBondContact O-CA 3.37Å; L266-G270 PolarHBondContact O-N 2.87Å
267	M	84.1	Confident	84.1	Confident	27 Å²	27	61.1 Å²	61.1	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-67.5	-44.3	178.6	-66.7	-86.2	-72.3	0	0	111.6	F252 V263 L264 W265 G270 I271 I608 V612	F252-M267 HydrophobicContact CE2-CE 3.76Å; F252-M267 HydrophobicContact CE2-SD 4.23Å; F252-M267 HydrophobicContact CZ-CE 4.22Å; V263-M267 HydrophobicContact CG1-CG 4.19Å; V263-M267 WeakPolarHBondContact O-CB 3.34Å; V263-M267 WeakPolarHBondContact O-CG 3.14Å; V263-M267 PolarHBondContact O-N 3.43Å; L264-M267 PolarHBondContact O-N 2.75Å; W265-M267 VanDerWaalsContact C-N 3.3Å; W265-M267 PolarHBondContact O-N 3.22Å; M267-G270 PolarHBondContact O-N 2.98Å; M267-I271 VanDerWaalsContact O-CG1 3.31Å; M267-I271 WeakPolarHBondContact O-CG1 3.44Å; M267-I271 PolarHBondContact O-N 3.37Å; M267-I608 HydrophobicContact CB-CG2 4.29Å; M267-I608 HydrophobicContact CE-CG2 4.2Å; M267-V612 HydrophobicContact CE-CB 3.38Å; M267-V612 HydrophobicContact CE-CG1 3.74Å; M267-V612 HydrophobicContact CE-CG2 3.43Å; M267-V612 VanDerWaalsContact CE-CG2 3.43Å; M267-V612 HydrophobicContact SD-CB 3.98Å; M267-V612 HydrophobicContact SD-CG1 3.65Å; M267-V612 HydrophobicContact SD-CG2 3.99Å
268	I	83	Confident	84.4	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-61.4	-51.8	176.3	-73.2	161.7	0	0	0	110.4	L264 W265 G270 I271 I272 L336	L264-I268 WeakPolarHBondContact O-CB 3.28Å; L264-I268 WeakPolarHBondContact O-CD1 3.46Å; L264-I268 VanDerWaalsContact O-CG1 3.24Å; L264-I268 WeakPolarHBondContact O-CG1 3.25Å; L264-I268 PolarHBondContact O-N 2.89Å; W265-I268 PolarHBondContact O-N 3.24Å; I268-G270 VanDerWaalsContact C-N 3.31Å; I268-G270 PolarHBondContact O-N 3.37Å; I268-I271 PolarHBondContact O-N 3.43Å; I268-I272 HydrophobicContact CG2-CD1 3.98Å; I268-I272 WeakPolarHBondContact O-CG1 3.32Å; I268-I272 PolarHBondContact O-N 3.01Å; I268-L336 HydrophobicContact CB-CD1 4.45Å; I268-L336 HydrophobicContact CD1-CD1 4.17Å; I268-L336 HydrophobicContact CD1-CD2 3.55Å; I268-L336 HydrophobicContact CG1-CD1 4.29Å; I268-L336 HydrophobicContact CG1-CD2 4.32Å; I268-L336 HydrophobicContact CG2-CD1 3.35Å
269	C	87.4	Confident	84.8	Confident	60 Å²	60	52.4 Å²	52.4	41%	0.405	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-42.3	178	-68.9	0	0	0	0	111.1	W265 I271 I272 I273	W265-C269 WeakPolarHBondContact O-CB 3.2Å; W265-C269 PolarHBondContact O-N 3.4Å; W265-C269 PolarHBondContact O-SG 3.5Å; C269-I271 PolarHBondContact O-N 3Å; C269-I272 PolarHBondContact O-N 3.37Å; C269-I273 WeakPolarHBondContact O-CB 3.41Å; C269-I273 VanDerWaalsContact O-CG1 3.24Å; C269-I273 WeakPolarHBondContact O-CG1 3.48Å; C269-I273 PolarHBondContact O-N 3.14Å
270	G	86.8	Confident	85.2	Confident	36 Å²	36	55.7 Å²	55.7	37%	0.371	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-42.9	177	0	0	0	0	0	112.8	L266 M267 I268 I273 A274	L266-G270 WeakPolarHBondContact O-CA 3.37Å; L266-G270 PolarHBondContact O-N 2.87Å; M267-G270 PolarHBondContact O-N 2.98Å; I268-G270 VanDerWaalsContact C-N 3.31Å; I268-G270 PolarHBondContact O-N 3.37Å; G270-I273 PolarHBondContact O-N 3.44Å; G270-A274 VanDerWaalsContact O-CB 3.25Å; G270-A274 WeakPolarHBondContact O-CB 3.32Å; G270-A274 PolarHBondContact O-N 2.87Å
271	I	84.9	Confident	85.8	Confident	35 Å²	35	59.8 Å²	59.8	18%	0.179	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-43.7	175.5	-72	169	0	0	0	111.1	M267 I268 C269 I273 A274 A275 I332 I608 V612	M267-I271 VanDerWaalsContact O-CG1 3.31Å; M267-I271 WeakPolarHBondContact O-CG1 3.44Å; M267-I271 PolarHBondContact O-N 3.37Å; I268-I271 PolarHBondContact O-N 3.43Å; C269-I271 PolarHBondContact O-N 3Å; I271-I273 VanDerWaalsContact C-N 3.34Å; I271-I273 PolarHBondContact O-N 3.27Å; I271-A274 PolarHBondContact O-N 2.85Å; I271-A275 VanDerWaalsContact O-CB 3.24Å; I271-A275 WeakPolarHBondContact O-CB 3.26Å; I271-A275 PolarHBondContact O-N 2.94Å; I271-I332 HydrophobicContact CG2-CD1 3.88Å; I271-I608 HydrophobicContact CD1-CB 4.38Å; I271-I608 HydrophobicContact CD1-CG1 4.22Å; I271-I608 HydrophobicContact CD1-CG2 3.56Å; I271-V612 HydrophobicContact CD1-CG2 3.83Å; I271-V612 HydrophobicContact CG1-CG2 4.01Å
272	I	86.8	Confident	86.2	Confident	57 Å²	57	57.1 Å²	57.1	29%	0.292	31%	0.311	S	S	.	.	H	α-helix	trans	-62.4	-44.1	178.3	-66.8	167.4	0	0	0	110.4	I268 C269 G276 V333	I268-I272 HydrophobicContact CG2-CD1 3.98Å; I268-I272 WeakPolarHBondContact O-CG1 3.32Å; I268-I272 PolarHBondContact O-N 3.01Å; C269-I272 PolarHBondContact O-N 3.37Å; I272-G276 PolarHBondContact O-N 3.5Å; I272-V333 HydrophobicContact CD1-CG2 4.27Å
273	I	89.3	Confident	86.4	Confident	121 Å²	121	59.6 Å²	59.6	62%	0.621	31%	0.313	S	S	*	.	H	α-helix	trans	-63.9	-46.7	177.1	-68.4	165.2	0	0	0	110.8	C269 G270 I271 G276 Y277	C269-I273 WeakPolarHBondContact O-CB 3.41Å; C269-I273 VanDerWaalsContact O-CG1 3.24Å; C269-I273 WeakPolarHBondContact O-CG1 3.48Å; C269-I273 PolarHBondContact O-N 3.14Å; G270-I273 PolarHBondContact O-N 3.44Å; I271-I273 VanDerWaalsContact C-N 3.34Å; I271-I273 PolarHBondContact O-N 3.27Å; I273-G276 PolarHBondContact O-N 3.15Å; I273-Y277 WeakPolarHBondContact O-CB 3.28Å; I273-Y277 PolarHBondContact O-N 3.05Å
274	A	86.7	Confident	86.7	Confident	60 Å²	60	64.6 Å²	64.6	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-41.1	-179.8	0	0	0	0	0	112.1	G270 I271 Y277 G278	G270-A274 VanDerWaalsContact O-CB 3.25Å; G270-A274 WeakPolarHBondContact O-CB 3.32Å; G270-A274 PolarHBondContact O-N 2.87Å; I271-A274 PolarHBondContact O-N 2.85Å; A274-Y277 PolarHBondContact O-N 2.98Å; A274-G278 PolarHBondContact O-N 3.1Å
275	A	86.9	Confident	87	Confident	14 Å²	14	66.5 Å²	66.5	12%	0.116	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-38.1	174.7	0	0	0	0	0	111.8	I271 G278 G279 V329	I271-A275 VanDerWaalsContact O-CB 3.24Å; I271-A275 WeakPolarHBondContact O-CB 3.26Å; I271-A275 PolarHBondContact O-N 2.94Å; A275-G278 PolarHBondContact O-N 3.06Å; A275-G279 PolarHBondContact O-N 3.47Å; A275-V329 HydrophobicContact CB-CG2 3.38Å
276	G	88.3	Confident	87.1	Confident	47 Å²	47	63.3 Å²	63.3	49%	0.485	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-46.3	173.1	0	0	0	0	0	112.6	I272 I273 G279 W280	I272-G276 PolarHBondContact O-N 3.5Å; I273-G276 PolarHBondContact O-N 3.15Å; G276-G279 PolarHBondContact O-N 3.27Å; G276-W280 PolarHBondContact O-N 3.5Å
277	Y	89.6	Confident	87	Confident	134 Å²	134	60.5 Å²	60.5	53%	0.525	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-43	174.6	178.8	-96.5	0	0	0	112	I273 A274 W280 R281	I273-Y277 WeakPolarHBondContact O-CB 3.28Å; I273-Y277 PolarHBondContact O-N 3.05Å; A274-Y277 PolarHBondContact O-N 2.98Å; Y277-W280 HydrophobicContact CD2-CE3 4.01Å; Y277-W280 HydrophobicContact CD2-CZ3 4.31Å; Y277-W280 AromaticContact CE2-CE3 3.86Å; Y277-W280 HydrophobicContact CE2-CE3 3.86Å; Y277-W280 AromaticContact CE2-CZ3 3.72Å; Y277-W280 HydrophobicContact CE2-CZ3 3.72Å; Y277-W280 PolarHBondContact O-N 3.44Å; Y277-R281 HydrophobicContact CD1-CG 4.17Å; Y277-R281 HydrophobicContact CE1-CG 3.63Å; Y277-R281 HydrophobicContact CE2-CG 4.37Å; Y277-R281 PolarHBondContact O-N 3.48Å
278	G	86.7	Confident	87.1	Confident	19 Å²	19	64 Å²	64	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-48.6	174.4	0	0	0	0	0	111.6	A274 A275 W280 R281 C282	A274-G278 PolarHBondContact O-N 3.1Å; A275-G278 PolarHBondContact O-N 3.06Å; G278-W280 VanDerWaalsContact C-N 3.33Å; G278-W280 PolarHBondContact O-N 2.85Å; G278-R281 PolarHBondContact O-N 3.18Å; G278-C282 PolarHBondContact O-N 3.33Å; G278-C282 PolarHBondContact O-SG 3.38Å
279	G	88.5	Confident	86.8	Confident	12 Å²	12	64.6 Å²	64.6	12%	0.124	34%	0.34	C	S	.	.	H	α-helix	trans	-58.6	-42.2	175.4	0	0	0	0	0	112.7	A275 G276 C282 Y283	A275-G279 PolarHBondContact O-N 3.47Å; G276-G279 PolarHBondContact O-N 3.27Å; G279-C282 PolarHBondContact O-N 3.41Å; G279-Y283 WeakPolarHBondContact O-CB 3.31Å; G279-Y283 PolarHBondContact O-N 3.2Å
280	W	90	Very high	86.2	Confident	140 Å²	140	65.7 Å²	65.7	53%	0.53	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-43.1	174.7	174.8	72	0	0	0	112.8	G276 Y277 G278 Y283 K284	G276-W280 PolarHBondContact O-N 3.5Å; Y277-W280 HydrophobicContact CD2-CE3 4.01Å; Y277-W280 HydrophobicContact CD2-CZ3 4.31Å; Y277-W280 AromaticContact CE2-CE3 3.86Å; Y277-W280 HydrophobicContact CE2-CE3 3.86Å; Y277-W280 AromaticContact CE2-CZ3 3.72Å; Y277-W280 HydrophobicContact CE2-CZ3 3.72Å; Y277-W280 PolarHBondContact O-N 3.44Å; G278-W280 VanDerWaalsContact C-N 3.33Å; G278-W280 PolarHBondContact O-N 2.85Å; W280-Y283 PolarHBondContact O-N 2.82Å; W280-K284 PolarHBondContact O-N 2.87Å
281	R	88.1	Confident	85.5	Confident	94 Å²	94	70.3 Å²	70.3	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-45.2	174.4	-77.5	-60.1	-55	-144.1	6.1	111.7	Y277 G278 Y283 K284 E285	Y277-R281 HydrophobicContact CD1-CG 4.17Å; Y277-R281 HydrophobicContact CE1-CG 3.63Å; Y277-R281 HydrophobicContact CE2-CG 4.37Å; Y277-R281 PolarHBondContact O-N 3.48Å; G278-R281 PolarHBondContact O-N 3.18Å; R281-Y283 VanDerWaalsContact C-N 3.31Å; R281-Y283 PolarHBondContact O-N 3.48Å; R281-K284 PolarHBondContact O-N 3.4Å; R281-E285 IonicContact CZ-OE1 3.08Å; R281-E285 IonicContact NH2-OE1 3.84Å; R281-E285 PolarHBondContact NH2-OE1 3.47Å; R281-E285 WeakPolarHBondContact O-CG 3.26Å; R281-E285 PolarHBondContact O-N 2.92Å
282	C	87.7	Confident	85	Confident	5 Å²	5	74.4 Å²	74.4	3%	0.034	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-42.3	176.8	-62.8	0	0	0	0	111.6	G278 G279 K284 E285 Y286 W318 L321 M322	G278-C282 PolarHBondContact O-N 3.33Å; G278-C282 PolarHBondContact O-SG 3.38Å; G279-C282 PolarHBondContact O-N 3.41Å; C282-K284 PolarHBondContact O-N 2.85Å; C282-E285 PolarHBondContact O-N 3.24Å; C282-Y286 WeakPolarHBondContact O-CB 3.29Å; C282-Y286 PolarHBondContact O-N 3.11Å; C282-W318 HydrophobicContact CB-CE3 3.96Å; C282-L321 WeakPolarHBondContact SG-CD2 3.16Å; C282-M322 HydrophobicContact CB-CB 4.02Å
283	Y	88.1	Confident	83.5	Confident	131 Å²	131	77.3 Å²	77.3	51%	0.514	40%	0.397	S	S	.	.	H	α-helix	trans	-60.6	-44.5	174.9	174.9	-103.5	0	0	0	111.9	G279 W280 R281 Y286 V287	G279-Y283 WeakPolarHBondContact O-CB 3.31Å; G279-Y283 PolarHBondContact O-N 3.2Å; W280-Y283 PolarHBondContact O-N 2.82Å; R281-Y283 VanDerWaalsContact C-N 3.31Å; R281-Y283 PolarHBondContact O-N 3.48Å; Y283-Y286 PolarHBondContact O-N 2.89Å; Y283-V287 HydrophobicContact CD2-CG2 4.31Å; Y283-V287 HydrophobicContact CE1-CG2 4.18Å; Y283-V287 HydrophobicContact CE2-CG2 3.87Å; Y283-V287 WeakPolarHBondContact O-CG2 3.41Å; Y283-V287 PolarHBondContact O-N 3.36Å
284	K	89	Confident	81.9	Confident	113 Å²	113	78.7 Å²	78.7	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-45.9	178.8	-174.1	176.9	176.7	177.1	0	112.5	W280 R281 C282 V287 L288	W280-K284 PolarHBondContact O-N 2.87Å; R281-K284 PolarHBondContact O-N 3.4Å; C282-K284 PolarHBondContact O-N 2.85Å; K284-V287 PolarHBondContact O-N 2.81Å; K284-L288 WeakPolarHBondContact O-CB 3.33Å; K284-L288 PolarHBondContact O-N 3.43Å
285	E	84.6	Confident	80.3	Confident	44 Å²	44	77.7 Å²	77.7	21%	0.206	39%	0.393	C	S	.	.	H	α-helix	trans	-67.6	-37.8	177.1	-63.8	-58.6	159.9	0	0	111.7	R281 C282 L288 L289 W318	R281-E285 IonicContact CZ-OE1 3.08Å; R281-E285 IonicContact NH2-OE1 3.84Å; R281-E285 PolarHBondContact NH2-OE1 3.47Å; R281-E285 WeakPolarHBondContact O-CG 3.26Å; R281-E285 PolarHBondContact O-N 2.92Å; C282-E285 PolarHBondContact O-N 3.24Å; E285-L288 PolarHBondContact O-N 3.19Å; E285-L289 WeakPolarHBondContact O-CB 3.42Å; E285-L289 WeakPolarHBondContact O-CG 3.02Å; E285-L289 PolarHBondContact O-N 3.27Å; E285-W318 HydrophobicContact CB-CD2 3.92Å; E285-W318 HydrophobicContact CB-CE3 4.25Å; E285-W318 HydrophobicContact CB-CG 4.22Å; E285-W318 HydrophobicContact CB-CZ2 4.43Å; E285-W318 HydrophobicContact CG-CH2 4.32Å; E285-W318 HydrophobicContact CG-CZ2 4.31Å; E285-W318 HydrophobicContact CG-CZ3 4.43Å
286	Y	84.9	Confident	78.6	Confident	57 Å²	57	82.9 Å²	82.9	22%	0.224	42%	0.419	C	S	.	.	H	α-helix	trans	-58	-49.4	174.1	171.1	-105	0	0	0	111.7	C282 Y283 L288 L289 L290 S315 L319	C282-Y286 WeakPolarHBondContact O-CB 3.29Å; C282-Y286 PolarHBondContact O-N 3.11Å; Y283-Y286 PolarHBondContact O-N 2.89Å; Y286-L288 PolarHBondContact O-N 2.75Å; Y286-L289 PolarHBondContact O-N 3.36Å; Y286-L290 HydrophobicContact CD1-CD1 3.88Å; Y286-L290 HydrophobicContact CD2-CD1 3.73Å; Y286-L290 HydrophobicContact CE1-CD1 3.45Å; Y286-L290 VanDerWaalsContact CE1-CD1 3.45Å; Y286-L290 HydrophobicContact CE2-CD1 3.29Å; Y286-L290 HydrophobicContact CG-CD1 4.01Å; Y286-L290 WeakPolarHBondContact O-CD1 3.48Å; Y286-L290 PolarHBondContact O-N 3.15Å; Y286-S315 WeakPolarHBondContact CD2-O 3.48Å; Y286-L319 HydrophobicContact CD2-CB 3.94Å; Y286-L319 HydrophobicContact CE1-CD1 4.44Å; Y286-L319 HydrophobicContact CE2-CB 3.85Å; Y286-L319 HydrophobicContact CE2-CD1 4.13Å; Y286-L319 HydrophobicContact CE2-CD2 4.29Å; Y286-L319 HydrophobicContact CE2-CG 4.31Å
287	V	85.6	Confident	77	Confident	57 Å²	57	83.6 Å²	83.6	35%	0.345	41%	0.414	S	S	.	.	H	α-helix	trans	-62.5	-43	177.3	173.1	0	0	0	0	111	Y283 K284 L289 L290 D291	Y283-V287 HydrophobicContact CD2-CG2 4.31Å; Y283-V287 HydrophobicContact CE1-CG2 4.18Å; Y283-V287 HydrophobicContact CE2-CG2 3.87Å; Y283-V287 WeakPolarHBondContact O-CG2 3.41Å; Y283-V287 PolarHBondContact O-N 3.36Å; K284-V287 PolarHBondContact O-N 2.81Å; V287-L289 VanDerWaalsContact C-N 3.32Å; V287-L289 PolarHBondContact O-N 3.25Å; V287-L290 PolarHBondContact O-N 3.4Å; V287-D291 PolarHBondContact O-N 3.28Å
288	L	85.1	Confident	75.2	Confident	100 Å²	100	79.2 Å²	79.2	52%	0.524	41%	0.405	S	S	.	.	H	α-helix	trans	-62	-37	178.4	-174.1	70.9	0	0	0	113.1	K284 E285 Y286	K284-L288 WeakPolarHBondContact O-CB 3.33Å; K284-L288 PolarHBondContact O-N 3.43Å; E285-L288 PolarHBondContact O-N 3.19Å; Y286-L288 PolarHBondContact O-N 2.75Å
289	L	78.8	Confident	73.2	Confident	20 Å²	20	82.5 Å²	82.5	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-81.9	-16.9	179.2	-69.6	169.6	0	0	0	113.1	E285 Y286 V287 T295	E285-L289 WeakPolarHBondContact O-CB 3.42Å; E285-L289 WeakPolarHBondContact O-CG 3.02Å; E285-L289 PolarHBondContact O-N 3.27Å; Y286-L289 PolarHBondContact O-N 3.36Å; V287-L289 VanDerWaalsContact C-N 3.32Å; V287-L289 PolarHBondContact O-N 3.25Å; L289-T295 PolarHBondContact O-OG1 3.08Å
290	L	74.8	Confident	71.4	Confident	83 Å²	83	86.5 Å²	86.5	44%	0.435	44%	0.443	S	S	.	.	H	α-helix	trans	-72.6	-30.5	171.2	-109.9	107	0	0	0	112.7	Y286 V287 K292	Y286-L290 HydrophobicContact CD1-CD1 3.88Å; Y286-L290 HydrophobicContact CD2-CD1 3.73Å; Y286-L290 HydrophobicContact CE1-CD1 3.45Å; Y286-L290 VanDerWaalsContact CE1-CD1 3.45Å; Y286-L290 HydrophobicContact CE2-CD1 3.29Å; Y286-L290 HydrophobicContact CG-CD1 4.01Å; Y286-L290 WeakPolarHBondContact O-CD1 3.48Å; Y286-L290 PolarHBondContact O-N 3.15Å; V287-L290 PolarHBondContact O-N 3.4Å; L290-K292 PolarHBondContact O-N 3.49Å
291	D	70.9	Confident	69.4	Low	133 Å²	133	85.4 Å²	85.4	71%	0.711	45%	0.448	S	S	*	.	S	Bend	trans	-76.4	-5.3	-179.7	-74.2	-20.4	0	0	0	113.2	V287	V287-D291 PolarHBondContact O-N 3.28Å
292	K	75.3	Confident	67.5	Low	121 Å²	121	83.4 Å²	83.4	53%	0.526	44%	0.444	S	S	.	.	S	Bend	trans	-96.1	122.9	175.4	-74.3	-175.7	180	178	0	111.1	L290 D294 T295	L290-K292 PolarHBondContact O-N 3.49Å; K292-D294 VanDerWaalsContact C-N 3.32Å; K292-D294 PolarHBondContact O-N 2.84Å; K292-T295 PolarHBondContact O-OG1 3.29Å
293	P	54.5	Low	65.6	Low	118 Å²	118	85.2 Å²	85.2	77%	0.766	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-3.8	-170.4	25.1	-31.5	0	0	0	116.9
294	D	55.6	Low	63.1	Low	150 Å²	150	89.2 Å²	89.2	80%	0.802	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	5.9	-174.2	-78.4	-32.6	0	0	0	115.9	K292	K292-D294 VanDerWaalsContact C-N 3.32Å; K292-D294 PolarHBondContact O-N 2.84Å
295	T	52.7	Low	61.1	Low	40 Å²	40	88.3 Å²	88.3	25%	0.245	48%	0.482	C	S	.	.			trans	-110	12.2	-168.6	39.9	0	0	0	0	116.2	L289 K292 V297	L289-T295 PolarHBondContact O-OG1 3.08Å; K292-T295 PolarHBondContact O-OG1 3.29Å; T295-V297 PolarHBondContact O-N 3.3Å; T295-V297 VanDerWaalsContact O-N 3.09Å
296	N	51.3	Low	59.3	Low	123 Å²	123	92.7 Å²	92.7	66%	0.658	51%	0.511	S	S	*	.			trans	-84	40.7	179.7	-69.5	-31.4	0	0	0	113.7
297	V	56.1	Low	57.7	Low	62 Å²	62	94.4 Å²	94.4	38%	0.376	52%	0.524	S	S	.	.			trans	-87.2	129.1	176.1	-171.6	0	0	0	0	109.3	T295 D301 I302 M314	T295-V297 PolarHBondContact O-N 3.3Å; T295-V297 VanDerWaalsContact O-N 3.09Å; V297-D301 HydrophobicContact CG1-CB 3.99Å; V297-I302 HydrophobicContact CB-CD1 4.06Å; V297-I302 HydrophobicContact CG1-CD1 3.65Å; V297-I302 HydrophobicContact CG1-CG1 3.6Å; V297-M314 WeakPolarHBondContact O-CE 3.29Å
298	A	50.1	Low	56.1	Low	41 Å²	41	97.4 Å²	97.4	34%	0.339	54%	0.538	S	S	.	.			trans	-75.4	147.2	178.7	0	0	0	0	0	111	S300 D301	A298-S300 WeakPolarHBondContact CB-OG 3.29Å; A298-S300 PolarHBondContact O-N 3.35Å; A298-D301 PolarHBondContact O-N 3.17Å
299	I	45.4	Very low	54.9	Low	89 Å²	89	95.6 Å²	95.6	46%	0.456	53%	0.533	S	S	.	.	H	α-helix	trans	-56.2	-22.6	177.3	-64.2	169.8	0	0	0	111.8	D301 M314 Q316	I299-D301 VanDerWaalsContact C-N 3.28Å; I299-D301 PolarHBondContact O-N 3.2Å; I299-M314 HydrophobicContact CG1-CE 3.91Å; I299-M314 HydrophobicContact CG1-SD 4.5Å; I299-Q316 HydrophobicContact CD1-CB 4.49Å
300	S	50	Low	54.1	Low	96 Å²	96	96.9 Å²	96.9	67%	0.671	54%	0.54	S	S	*	.	H	α-helix	trans	-66	-25.4	174.6	51.4	0	0	0	0	114.4	A298	A298-S300 WeakPolarHBondContact CB-OG 3.29Å; A298-S300 PolarHBondContact O-N 3.35Å
301	D	47.9	Very low	53.4	Low	117 Å²	117	95.5 Å²	95.5	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-97	-16.5	-164.9	-57.1	-15.1	0	0	0	112.7	V297 A298 I299	V297-D301 HydrophobicContact CG1-CB 3.99Å; A298-D301 PolarHBondContact O-N 3.17Å; I299-D301 VanDerWaalsContact C-N 3.28Å; I299-D301 PolarHBondContact O-N 3.2Å
302	I	48.3	Very low	53.1	Low	51 Å²	51	93.6 Å²	93.6	26%	0.262	52%	0.519	S	S	.	.	H	α-helix	trans	-98.8	-13.8	-173.1	-56.9	175.3	0	0	0	112.9	V297 Q305 M314	V297-I302 HydrophobicContact CB-CD1 4.06Å; V297-I302 HydrophobicContact CG1-CD1 3.65Å; V297-I302 HydrophobicContact CG1-CG1 3.6Å; I302-Q305 HydrophobicContact CG2-CG 4.18Å; I302-M314 HydrophobicContact CD1-CE 3.84Å; I302-M314 HydrophobicContact CD1-SD 4.07Å
303	G	47.8	Very low	52.8	Low	44 Å²	44	93.9 Å²	93.9	45%	0.454	52%	0.522	S	S	.	.			trans	63.3	-179.8	-174.9	0	0	0	0	0	113.4	Q305 Y311	G303-Q305 PolarHBondContact O-N 3.35Å; G303-Q305 VanDerWaalsContact O-N 3.16Å; G303-Y311 PolarHBondContact O-OH 3.35Å
304	F	36.5	Very low	53.5	Low	214 Å²	214	88.9 Å²	88.9	94%	0.939	49%	0.489	S	S	*	.			trans	-75.4	101.5	176.1	-101.7	-87.3	0	0	0	109.6
305	Q	45.9	Very low	54.4	Low	95 Å²	95	81.8 Å²	81.8	44%	0.444	45%	0.451	S	S	.	.			trans	-98.8	147.3	169.3	-67.8	-156.6	-24.9	0	0	110.5	I302 G303 Y311	I302-Q305 HydrophobicContact CG2-CG 4.18Å; G303-Q305 PolarHBondContact O-N 3.35Å; G303-Q305 VanDerWaalsContact O-N 3.16Å; Q305-Y311 PolarHBondContact N-OH 2.93Å; Q305-Y311 VanDerWaalsContact N-OH 3.17Å; Q305-Y311 WeakPolarHBondContact O-CE2 3.23Å
306	T	46.9	Very low	55.5	Low	136 Å²	136	83.7 Å²	83.7	83%	0.834	46%	0.457	S	S	*	.	S	Bend	trans	-84.8	-10	-175.2	47.7	0	0	0	0	113.5	L308	T306-L308 PolarHBondContact O-N 3.44Å
307	D	52.3	Low	56.8	Low	92 Å²	92	79.3 Å²	79.3	49%	0.492	43%	0.434	S	S	.	.			trans	-88.2	107.3	178.4	-85.7	-41.3	0	0	0	111.6	S309 I310	D307-S309 PolarHBondContact O-N 3.49Å; D307-I310 HydrophobicContact CB-CD1 3.83Å; D307-I310 HydrophobicContact CB-CG1 4.05Å; D307-I310 PolarHBondContact O-N 2.88Å
308	L	52.2	Low	58.1	Low	120 Å²	120	78.9 Å²	78.9	63%	0.628	43%	0.426	S	S	*	.	H	α-helix	trans	-64.1	-24.3	179.9	-169.7	66	0	0	0	113	T306 I310 Y311 L312	T306-L308 PolarHBondContact O-N 3.44Å; L308-I310 VanDerWaalsContact C-N 3.27Å; L308-I310 PolarHBondContact O-N 3.39Å; L308-Y311 PolarHBondContact O-N 3.25Å; L308-L312 PolarHBondContact O-N 2.91Å
309	S	59.2	Low	59.6	Low	62 Å²	62	79 Å²	79	43%	0.434	42%	0.421	S	S	.	.	H	α-helix	trans	-60.5	-37	177.1	46.6	0	0	0	0	112.3	D307 Y311 L312 E313	D307-S309 PolarHBondContact O-N 3.49Å; S309-Y311 VanDerWaalsContact C-N 3.31Å; S309-Y311 PolarHBondContact O-N 3.06Å; S309-L312 PolarHBondContact O-N 3.4Å; S309-L312 VanDerWaalsContact O-N 3.09Å; S309-E313 WeakPolarHBondContact O-CG 3.28Å; S309-E313 PolarHBondContact O-N 3.22Å; S309-E313 VanDerWaalsContact O-N 3.16Å
310	I	63.2	Low	61.5	Low	48 Å²	48	78.4 Å²	78.4	25%	0.246	42%	0.421	C	S	.	.	H	α-helix	trans	-63.6	-41.1	179.9	-59.1	176.5	0	0	0	110.1	D307 L308 L312 E313 M314	D307-I310 HydrophobicContact CB-CD1 3.83Å; D307-I310 HydrophobicContact CB-CG1 4.05Å; D307-I310 PolarHBondContact O-N 2.88Å; L308-I310 VanDerWaalsContact C-N 3.27Å; L308-I310 PolarHBondContact O-N 3.39Å; I310-L312 VanDerWaalsContact C-N 3.32Å; I310-L312 PolarHBondContact O-N 3.5Å; I310-E313 PolarHBondContact O-N 2.87Å; I310-M314 WeakPolarHBondContact O-CG 3.29Å
311	Y	60.2	Low	63.1	Low	54 Å²	54	77.8 Å²	77.8	21%	0.212	41%	0.41	C	S	.	.	H	α-helix	trans	-67.9	-30.1	175.7	-65.3	-77.5	0	0	0	112.7	G303 Q305 L308 S309 E313 M314 T317	G303-Y311 PolarHBondContact O-OH 3.35Å; Q305-Y311 PolarHBondContact N-OH 2.93Å; Q305-Y311 VanDerWaalsContact N-OH 3.17Å; Q305-Y311 WeakPolarHBondContact O-CE2 3.23Å; L308-Y311 PolarHBondContact O-N 3.25Å; S309-Y311 VanDerWaalsContact C-N 3.31Å; S309-Y311 PolarHBondContact O-N 3.06Å; Y311-E313 VanDerWaalsContact C-N 3.32Å; Y311-M314 HydrophobicContact CD1-SD 4.42Å; Y311-T317 VanDerWaalsContact O-CB 3.29Å; Y311-T317 WeakPolarHBondContact O-CB 3.2Å; Y311-T317 WeakPolarHBondContact O-CG2 3.37Å; Y311-T317 PolarHBondContact O-OG1 2.97Å
312	L	64.7	Low	65	Low	92 Å²	92	74 Å²	74	48%	0.482	39%	0.389	S	S	.	.	H	α-helix	trans	-76.8	-18	177.3	-68.8	171.4	0	0	0	113.4	L308 S309 I310 W318	L308-L312 PolarHBondContact O-N 2.91Å; S309-L312 PolarHBondContact O-N 3.4Å; S309-L312 VanDerWaalsContact O-N 3.09Å; I310-L312 VanDerWaalsContact C-N 3.32Å; I310-L312 PolarHBondContact O-N 3.5Å; L312-W318 HydrophobicContact CD2-CZ2 4.35Å; L312-W318 PolarHBondContact O-NE1 3.15Å
313	E	69.1	Low	66.9	Low	128 Å²	128	76.2 Å²	76.2	60%	0.598	40%	0.4	S	S	*	.	H	α-helix	trans	-84.6	-11.6	176	-71.5	174.8	-175.6	0	0	113	S309 I310 Y311	S309-E313 WeakPolarHBondContact O-CG 3.28Å; S309-E313 PolarHBondContact O-N 3.22Å; S309-E313 VanDerWaalsContact O-N 3.16Å; I310-E313 PolarHBondContact O-N 2.87Å; Y311-E313 VanDerWaalsContact C-N 3.32Å
314	M	68.4	Low	68.8	Low	13 Å²	13	77.6 Å²	77.6	6%	0.064	40%	0.399	C	S	.	.			trans	-85.3	132.9	-179.2	-64.6	178.6	81.4	0	0	112.4	V297 I299 I302 I310 Y311 Q316 T317 W318	V297-M314 WeakPolarHBondContact O-CE 3.29Å; I299-M314 HydrophobicContact CG1-CE 3.91Å; I299-M314 HydrophobicContact CG1-SD 4.5Å; I302-M314 HydrophobicContact CD1-CE 3.84Å; I302-M314 HydrophobicContact CD1-SD 4.07Å; I310-M314 WeakPolarHBondContact O-CG 3.29Å; Y311-M314 HydrophobicContact CD1-SD 4.42Å; M314-Q316 VanDerWaalsContact C-N 3.31Å; M314-Q316 PolarHBondContact O-N 3.46Å; M314-T317 HydrophobicContact CB-CG2 4.09Å; M314-T317 PolarHBondContact O-N 3.27Å; M314-T317 PolarHBondContact O-OG1 2.8Å; M314-W318 VanDerWaalsContact O-CD1 3.29Å
315	S	74.1	Confident	71.2	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.007	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-36.8	175.3	61.4	0	0	0	0	112.7	Y286 T317 W318 L319	Y286-S315 WeakPolarHBondContact CD2-O 3.48Å; S315-T317 VanDerWaalsContact C-N 3.3Å; S315-T317 PolarHBondContact O-N 3.04Å; S315-W318 PolarHBondContact O-N 2.68Å; S315-L319 PolarHBondContact O-N 3.48Å
316	Q	75.6	Confident	73.3	Confident	80 Å²	80	68.8 Å²	68.8	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-61.8	-33.2	-178.2	-65.4	-61.8	-49.6	0	0	113.3	I299 M314 L319 V320	I299-Q316 HydrophobicContact CD1-CB 4.49Å; M314-Q316 VanDerWaalsContact C-N 3.31Å; M314-Q316 PolarHBondContact O-N 3.46Å; Q316-L319 PolarHBondContact O-N 3.3Å; Q316-V320 WeakPolarHBondContact O-CG2 3.24Å; Q316-V320 PolarHBondContact O-N 2.73Å
317	T	78.5	Confident	75.3	Confident	30 Å²	30	67.4 Å²	67.4	18%	0.184	35%	0.351	C	S	.	.	H	α-helix	trans	-70.8	-39.1	-179.2	58.1	0	0	0	0	111.4	Y311 M314 S315 L319 V320 L321	Y311-T317 VanDerWaalsContact O-CB 3.29Å; Y311-T317 WeakPolarHBondContact O-CB 3.2Å; Y311-T317 WeakPolarHBondContact O-CG2 3.37Å; Y311-T317 PolarHBondContact O-OG1 2.97Å; M314-T317 HydrophobicContact CB-CG2 4.09Å; M314-T317 PolarHBondContact O-N 3.27Å; M314-T317 PolarHBondContact O-OG1 2.8Å; S315-T317 VanDerWaalsContact C-N 3.3Å; S315-T317 PolarHBondContact O-N 3.04Å; T317-L319 VanDerWaalsContact C-N 3.34Å; T317-L319 PolarHBondContact O-N 2.78Å; T317-V320 PolarHBondContact O-N 2.91Å; T317-L321 WeakPolarHBondContact O-CB 3.3Å; T317-L321 PolarHBondContact O-N 3.27Å
318	W	83.7	Confident	76.9	Confident	54 Å²	54	66.9 Å²	66.9	21%	0.205	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-37.6	174.7	-67.8	102.2	0	0	0	112.4	C282 E285 L312 M314 S315 L321 M322	C282-W318 HydrophobicContact CB-CE3 3.96Å; E285-W318 HydrophobicContact CB-CD2 3.92Å; E285-W318 HydrophobicContact CB-CE3 4.25Å; E285-W318 HydrophobicContact CB-CG 4.22Å; E285-W318 HydrophobicContact CB-CZ2 4.43Å; E285-W318 HydrophobicContact CG-CH2 4.32Å; E285-W318 HydrophobicContact CG-CZ2 4.31Å; E285-W318 HydrophobicContact CG-CZ3 4.43Å; L312-W318 HydrophobicContact CD2-CZ2 4.35Å; L312-W318 PolarHBondContact O-NE1 3.15Å; M314-W318 VanDerWaalsContact O-CD1 3.29Å; S315-W318 PolarHBondContact O-N 2.68Å; W318-L321 PolarHBondContact O-N 2.92Å; W318-M322 WeakPolarHBondContact O-CB 3.43Å; W318-M322 PolarHBondContact O-N 3.27Å
319	L	82	Confident	78.6	Confident	43 Å²	43	62.8 Å²	62.8	23%	0.225	33%	0.327	C	S	.	.	H	α-helix	trans	-63.7	-48.3	173.3	-176	70	0	0	0	111.7	Y286 S315 Q316 T317 L321 M322 I323	Y286-L319 HydrophobicContact CD2-CB 3.94Å; Y286-L319 HydrophobicContact CE1-CD1 4.44Å; Y286-L319 HydrophobicContact CE2-CB 3.85Å; Y286-L319 HydrophobicContact CE2-CD1 4.13Å; Y286-L319 HydrophobicContact CE2-CD2 4.29Å; Y286-L319 HydrophobicContact CE2-CG 4.31Å; S315-L319 PolarHBondContact O-N 3.48Å; Q316-L319 PolarHBondContact O-N 3.3Å; T317-L319 VanDerWaalsContact C-N 3.34Å; T317-L319 PolarHBondContact O-N 2.78Å; L319-L321 VanDerWaalsContact C-N 3.34Å; L319-L321 PolarHBondContact O-N 3.4Å; L319-M322 HydrophobicContact CD1-CE 3.92Å; L319-M322 WeakPolarHBondContact O-CB 3.26Å; L319-M322 PolarHBondContact O-N 3.3Å; L319-I323 HydrophobicContact CG-CD1 4.23Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 2.65Å
320	V	84.3	Confident	80	Confident	76 Å²	76	64 Å²	64	46%	0.461	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-44.8	177.3	171.3	0	0	0	0	110.7	Q316 T317 M322 I323 V324	Q316-V320 WeakPolarHBondContact O-CG2 3.24Å; Q316-V320 PolarHBondContact O-N 2.73Å; T317-V320 PolarHBondContact O-N 2.91Å; V320-M322 VanDerWaalsContact C-N 3.33Å; V320-M322 PolarHBondContact O-N 2.81Å; V320-I323 PolarHBondContact O-N 3.17Å; V320-V324 HydrophobicContact CG1-CG2 4.38Å; V320-V324 WeakPolarHBondContact O-CG2 3.44Å; V320-V324 PolarHBondContact O-N 2.75Å
321	L	84.9	Confident	81.1	Confident	83 Å²	83	65 Å²	65	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-40.2	-179.6	-155.4	149.5	0	0	0	111.3	C282 T317 W318 L319 V324 L325	C282-L321 WeakPolarHBondContact SG-CD2 3.16Å; T317-L321 WeakPolarHBondContact O-CB 3.3Å; T317-L321 PolarHBondContact O-N 3.27Å; W318-L321 PolarHBondContact O-N 2.92Å; L319-L321 VanDerWaalsContact C-N 3.34Å; L319-L321 PolarHBondContact O-N 3.4Å; L321-V324 PolarHBondContact O-N 2.84Å; L321-L325 HydrophobicContact CD2-CD1 3.58Å; L321-L325 HydrophobicContact CD2-CG 3.98Å; L321-L325 WeakPolarHBondContact O-CG 3.21Å; L321-L325 PolarHBondContact O-N 2.97Å
322	M	86.8	Confident	82.2	Confident	39 Å²	39	63.3 Å²	63.3	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-48.2	173.6	-175.9	-164.5	72	0	0	112.1	C282 W318 L319 V320 V324 L325 I326	C282-M322 HydrophobicContact CB-CB 4.02Å; W318-M322 WeakPolarHBondContact O-CB 3.43Å; W318-M322 PolarHBondContact O-N 3.27Å; L319-M322 HydrophobicContact CD1-CE 3.92Å; L319-M322 WeakPolarHBondContact O-CB 3.26Å; L319-M322 PolarHBondContact O-N 3.3Å; V320-M322 VanDerWaalsContact C-N 3.33Å; V320-M322 PolarHBondContact O-N 2.81Å; M322-V324 VanDerWaalsContact C-N 3.32Å; M322-V324 PolarHBondContact O-N 3.47Å; M322-L325 PolarHBondContact O-N 3.44Å; M322-I326 HydrophobicContact CG-CD1 4.1Å; M322-I326 WeakPolarHBondContact O-CG1 3.38Å; M322-I326 PolarHBondContact O-N 3.37Å
323	I	88.3	Confident	83.2	Confident	97 Å²	97	61.5 Å²	61.5	50%	0.497	32%	0.324	S	S	.	.	H	α-helix	trans	-60.7	-43.8	179	-66.8	166.9	0	0	0	110.6	L319 V320 I326 L327	L319-I323 HydrophobicContact CG-CD1 4.23Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 2.65Å; V320-I323 PolarHBondContact O-N 3.17Å; I323-I326 PolarHBondContact O-N 3.44Å; I323-L327 PolarHBondContact O-N 3.16Å
324	V	87.1	Confident	84	Confident	72 Å²	72	60.5 Å²	60.5	44%	0.436	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-44.4	177.6	172.3	0	0	0	0	111.2	V320 L321 M322 I326 L327 I328	V320-V324 HydrophobicContact CG1-CG2 4.38Å; V320-V324 WeakPolarHBondContact O-CG2 3.44Å; V320-V324 PolarHBondContact O-N 2.75Å; L321-V324 PolarHBondContact O-N 2.84Å; M322-V324 VanDerWaalsContact C-N 3.32Å; M322-V324 PolarHBondContact O-N 3.47Å; V324-I326 PolarHBondContact O-N 3.02Å; V324-L327 PolarHBondContact O-N 2.95Å; V324-I328 HydrophobicContact CG1-CD1 3.81Å; V324-I328 HydrophobicContact CG1-CG1 4.45Å; V324-I328 VanDerWaalsContact O-CG1 3.28Å; V324-I328 WeakPolarHBondContact O-CG1 3.04Å; V324-I328 PolarHBondContact O-N 3.44Å
325	L	88	Confident	84.6	Confident	39 Å²	39	64.1 Å²	64.1	20%	0.204	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-42.3	177.5	-74.8	175.4	0	0	0	112.1	L321 M322 I328 V329	L321-L325 HydrophobicContact CD2-CD1 3.58Å; L321-L325 HydrophobicContact CD2-CG 3.98Å; L321-L325 WeakPolarHBondContact O-CG 3.21Å; L321-L325 PolarHBondContact O-N 2.97Å; M322-L325 PolarHBondContact O-N 3.44Å; L325-I328 PolarHBondContact O-N 3.43Å; L325-V329 WeakPolarHBondContact O-CG2 3.42Å; L325-V329 PolarHBondContact O-N 2.98Å; L325-V329 VanDerWaalsContact O-N 3.09Å
326	I	89.2	Confident	84.9	Confident	86 Å²	86	65.1 Å²	65.1	44%	0.441	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-45.8	176.9	-68.5	167.8	0	0	0	110.7	M322 I323 V324 I328 V329 I330	M322-I326 HydrophobicContact CG-CD1 4.1Å; M322-I326 WeakPolarHBondContact O-CG1 3.38Å; M322-I326 PolarHBondContact O-N 3.37Å; I323-I326 PolarHBondContact O-N 3.44Å; V324-I326 PolarHBondContact O-N 3.02Å; I326-I328 VanDerWaalsContact C-N 3.31Å; I326-I328 PolarHBondContact O-N 3.26Å; I326-V329 PolarHBondContact O-N 3.34Å; I326-I330 HydrophobicContact CG2-CD1 3.85Å; I326-I330 HydrophobicContact CG2-CG1 4.47Å; I326-I330 WeakPolarHBondContact O-CG1 3.5Å; I326-I330 PolarHBondContact O-N 3.18Å
327	L	90.4	Very high	85.3	Confident	107 Å²	107	66.9 Å²	66.9	56%	0.56	36%	0.355	S	S	*	.	H	α-helix	trans	-59.5	-42.8	178.4	-176.1	67.6	0	0	0	111.6	I323 V324 V329 I330 V331	I323-L327 PolarHBondContact O-N 3.16Å; V324-L327 PolarHBondContact O-N 2.95Å; L327-V329 PolarHBondContact O-N 2.83Å; L327-I330 PolarHBondContact O-N 2.88Å; L327-V331 WeakPolarHBondContact O-CG2 3.29Å; L327-V331 PolarHBondContact O-N 3.31Å
328	I	85.8	Confident	85.3	Confident	81 Å²	81	72.9 Å²	72.9	42%	0.415	38%	0.379	S	S	.	.	H	α-helix	trans	-60.7	-45.9	177.2	-70.9	167.2	0	0	0	110.8	V324 L325 I326 I330 V331 I332	V324-I328 HydrophobicContact CG1-CD1 3.81Å; V324-I328 HydrophobicContact CG1-CG1 4.45Å; V324-I328 VanDerWaalsContact O-CG1 3.28Å; V324-I328 WeakPolarHBondContact O-CG1 3.04Å; V324-I328 PolarHBondContact O-N 3.44Å; L325-I328 PolarHBondContact O-N 3.43Å; I326-I328 VanDerWaalsContact C-N 3.31Å; I326-I328 PolarHBondContact O-N 3.26Å; I328-I330 PolarHBondContact O-N 3.05Å; I328-V331 PolarHBondContact O-N 3.36Å; I328-I332 HydrophobicContact CG2-CD1 3.78Å; I328-I332 HydrophobicContact CG2-CG1 4.5Å; I328-I332 VanDerWaalsContact O-CG1 3.31Å; I328-I332 WeakPolarHBondContact O-CG1 3.2Å; I328-I332 PolarHBondContact O-N 2.9Å
329	V	87.1	Confident	84.8	Confident	33 Å²	33	70.9 Å²	70.9	20%	0.2	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-44.9	178.4	173.1	0	0	0	0	111.1	A275 L325 I326 L327 V331 I332 V333	A275-V329 HydrophobicContact CB-CG2 3.38Å; L325-V329 WeakPolarHBondContact O-CG2 3.42Å; L325-V329 PolarHBondContact O-N 2.98Å; L325-V329 VanDerWaalsContact O-N 3.09Å; I326-V329 PolarHBondContact O-N 3.34Å; L327-V329 PolarHBondContact O-N 2.83Å; V329-V331 PolarHBondContact O-N 3.37Å; V329-I332 PolarHBondContact O-N 3.34Å; V329-V333 HydrophobicContact CG1-CG2 4.3Å; V329-V333 WeakPolarHBondContact O-CG2 3.28Å; V329-V333 PolarHBondContact O-N 2.86Å
330	I	88.6	Confident	84.8	Confident	88 Å²	88	78.2 Å²	78.2	45%	0.451	40%	0.397	S	S	.	.	H	α-helix	trans	-59.5	-47.5	178.1	-68.9	169.4	0	0	0	110.6	I326 L327 I328 I332 V333 L334	I326-I330 HydrophobicContact CG2-CD1 3.85Å; I326-I330 HydrophobicContact CG2-CG1 4.47Å; I326-I330 WeakPolarHBondContact O-CG1 3.5Å; I326-I330 PolarHBondContact O-N 3.18Å; L327-I330 PolarHBondContact O-N 2.88Å; I328-I330 PolarHBondContact O-N 3.05Å; I330-I332 VanDerWaalsContact C-N 3.34Å; I330-I332 PolarHBondContact O-N 3.3Å; I330-V333 PolarHBondContact O-N 3.14Å; I330-L334 HydrophobicContact CG2-CD1 3.75Å; I330-L334 HydrophobicContact CG2-CG 4.24Å; I330-L334 WeakPolarHBondContact O-CB 3.12Å; I330-L334 VanDerWaalsContact O-CG 3.28Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 3.34Å
331	V	86.9	Confident	84.3	Confident	70 Å²	70	82.2 Å²	82.2	42%	0.424	41%	0.408	S	S	.	.	H	α-helix	trans	-60.7	-43.5	178.9	170.3	0	0	0	0	111.4	L327 I328 V329 L334 M335	L327-V331 WeakPolarHBondContact O-CG2 3.29Å; L327-V331 PolarHBondContact O-N 3.31Å; I328-V331 PolarHBondContact O-N 3.36Å; V329-V331 PolarHBondContact O-N 3.37Å; V331-L334 PolarHBondContact O-N 3.01Å; V331-M335 WeakPolarHBondContact O-CB 3.35Å; V331-M335 VanDerWaalsContact O-CG 3.26Å; V331-M335 WeakPolarHBondContact O-CG 3.37Å; V331-M335 PolarHBondContact O-N 2.97Å
332	I	83.8	Confident	83.9	Confident	18 Å²	18	79.1 Å²	79.1	9%	0.092	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-47.7	177.5	-71.2	169.7	0	0	0	110.6	I271 I328 V329 I330 M335 L336 F604	I271-I332 HydrophobicContact CG2-CD1 3.88Å; I328-I332 HydrophobicContact CG2-CD1 3.78Å; I328-I332 HydrophobicContact CG2-CG1 4.5Å; I328-I332 VanDerWaalsContact O-CG1 3.31Å; I328-I332 WeakPolarHBondContact O-CG1 3.2Å; I328-I332 PolarHBondContact O-N 2.9Å; V329-I332 PolarHBondContact O-N 3.34Å; I330-I332 VanDerWaalsContact C-N 3.34Å; I330-I332 PolarHBondContact O-N 3.3Å; I332-M335 PolarHBondContact O-N 3.09Å; I332-L336 HydrophobicContact CG2-CD1 3.95Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 3.34Å; I332-L336 PolarHBondContact O-N 2.87Å; I332-F604 HydrophobicContact CG1-CE2 4.48Å; I332-F604 HydrophobicContact CG1-CZ 4.37Å; I332-F604 HydrophobicContact CG2-CZ 4.32Å
333	V	84.9	Confident	83.5	Confident	54 Å²	54	77.8 Å²	77.8	33%	0.327	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-44.7	-179.5	172.1	0	0	0	0	111.2	I272 V329 I330 M335 L336 I337	I272-V333 HydrophobicContact CD1-CG2 4.27Å; V329-V333 HydrophobicContact CG1-CG2 4.3Å; V329-V333 WeakPolarHBondContact O-CG2 3.28Å; V329-V333 PolarHBondContact O-N 2.86Å; I330-V333 PolarHBondContact O-N 3.14Å; V333-M335 VanDerWaalsContact C-N 3.35Å; V333-M335 PolarHBondContact O-N 3.48Å; V333-L336 PolarHBondContact O-N 3.34Å; V333-I337 HydrophobicContact CG1-CD1 3.84Å; V333-I337 HydrophobicContact CG1-CG1 4.46Å; V333-I337 WeakPolarHBondContact O-CG1 3.4Å; V333-I337 PolarHBondContact O-N 3.28Å
334	L	85.9	Confident	83.1	Confident	106 Å²	106	76.4 Å²	76.4	56%	0.555	39%	0.385	S	S	*	.	H	α-helix	trans	-60.2	-43.4	176.8	-72.2	173.8	0	0	0	112	I330 V331 L336 I337 F338	I330-L334 HydrophobicContact CG2-CD1 3.75Å; I330-L334 HydrophobicContact CG2-CG 4.24Å; I330-L334 WeakPolarHBondContact O-CB 3.12Å; I330-L334 VanDerWaalsContact O-CG 3.28Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 3.34Å; V331-L334 PolarHBondContact O-N 3.01Å; L334-L336 VanDerWaalsContact C-N 3.34Å; L334-L336 PolarHBondContact O-N 3.02Å; L334-I337 PolarHBondContact O-N 3.31Å; L334-F338 WeakPolarHBondContact O-CB 3.39Å; L334-F338 PolarHBondContact O-N 2.9Å
335	M	80.4	Confident	82.6	Confident	89 Å²	89	73.1 Å²	73.1	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-42.2	175.7	-75.8	-71.9	169.9	0	0	111.9	V331 I332 V333 F338 L339 F604	V331-M335 WeakPolarHBondContact O-CB 3.35Å; V331-M335 VanDerWaalsContact O-CG 3.26Å; V331-M335 WeakPolarHBondContact O-CG 3.37Å; V331-M335 PolarHBondContact O-N 2.97Å; I332-M335 PolarHBondContact O-N 3.09Å; V333-M335 VanDerWaalsContact C-N 3.35Å; V333-M335 PolarHBondContact O-N 3.48Å; M335-F338 PolarHBondContact O-N 3.4Å; M335-L339 VanDerWaalsContact O-CB 3.28Å; M335-L339 WeakPolarHBondContact O-CB 3.38Å; M335-L339 WeakPolarHBondContact O-CD1 3.5Å; M335-L339 WeakPolarHBondContact O-CG 3.4Å; M335-L339 PolarHBondContact O-N 3.49Å; M335-F604 HydrophobicContact CB-CZ 4.41Å
336	L	80.3	Confident	82.2	Confident	23 Å²	23	71.3 Å²	71.3	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-67.2	-39.2	179	-68.6	170.1	0	0	0	112.8	I268 I332 V333 L334 R340 F604	I268-L336 HydrophobicContact CB-CD1 4.45Å; I268-L336 HydrophobicContact CD1-CD1 4.17Å; I268-L336 HydrophobicContact CD1-CD2 3.55Å; I268-L336 HydrophobicContact CG1-CD1 4.29Å; I268-L336 HydrophobicContact CG1-CD2 4.32Å; I268-L336 HydrophobicContact CG2-CD1 3.35Å; I332-L336 HydrophobicContact CG2-CD1 3.95Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 3.34Å; I332-L336 PolarHBondContact O-N 2.87Å; V333-L336 PolarHBondContact O-N 3.34Å; L334-L336 VanDerWaalsContact C-N 3.34Å; L334-L336 PolarHBondContact O-N 3.02Å; L336-R340 PolarHBondContact O-N 3.19Å; L336-R340 VanDerWaalsContact O-N 3.1Å; L336-F604 HydrophobicContact CD2-CE1 4.26Å
337	I	83.4	Confident	81.8	Confident	117 Å²	117	68.8 Å²	68.8	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-63.3	-50.7	175.7	-67.7	167.3	0	0	0	109.9	V333 L334 L339 R340	V333-I337 HydrophobicContact CG1-CD1 3.84Å; V333-I337 HydrophobicContact CG1-CG1 4.46Å; V333-I337 WeakPolarHBondContact O-CG1 3.4Å; V333-I337 PolarHBondContact O-N 3.28Å; L334-I337 PolarHBondContact O-N 3.31Å; I337-L339 VanDerWaalsContact C-N 3.3Å; I337-L339 PolarHBondContact O-N 3.5Å; I337-R340 WeakPolarHBondContact O-CB 3.17Å; I337-R340 PolarHBondContact O-N 3.45Å
338	F	79.2	Confident	81.3	Confident	156 Å²	156	64.4 Å²	64.4	68%	0.684	32%	0.32	S	S	*	.	H	α-helix	trans	-62.2	-39	-178	-176.7	-104.7	0	0	0	112.2	L334 M335	L334-F338 WeakPolarHBondContact O-CB 3.39Å; L334-F338 PolarHBondContact O-N 2.9Å; M335-F338 PolarHBondContact O-N 3.4Å
339	L	74.3	Confident	81.1	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-92.5	0.9	-174	-58.2	170.4	0	0	0	114.3	M335 I337 K341 N342 L343 V597 L601	M335-L339 VanDerWaalsContact O-CB 3.28Å; M335-L339 WeakPolarHBondContact O-CB 3.38Å; M335-L339 WeakPolarHBondContact O-CD1 3.5Å; M335-L339 WeakPolarHBondContact O-CG 3.4Å; M335-L339 PolarHBondContact O-N 3.49Å; I337-L339 VanDerWaalsContact C-N 3.3Å; I337-L339 PolarHBondContact O-N 3.5Å; L339-K341 VanDerWaalsContact C-N 3.28Å; L339-K341 PolarHBondContact O-N 3.17Å; L339-K341 VanDerWaalsContact O-N 3.12Å; L339-N342 WeakPolarHBondContact O-CB 3.28Å; L339-N342 PolarHBondContact O-N 3.35Å; L339-L343 PolarHBondContact O-N 3.09Å; L339-V597 HydrophobicContact CD2-CG1 4.12Å; L339-L601 HydrophobicContact CB-CD1 3.43Å; L339-L601 VanDerWaalsContact CB-CD1 3.43Å; L339-L601 HydrophobicContact CD1-CB 4.06Å; L339-L601 HydrophobicContact CD1-CD1 3.89Å; L339-L601 HydrophobicContact CD1-CG 4.27Å; L339-L601 HydrophobicContact CD2-CD1 4.45Å; L339-L601 HydrophobicContact CG-CD1 4.12Å
340	R	81.2	Confident	80.9	Confident	198 Å²	198	59.2 Å²	59.2	75%	0.747	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-45.3	-174.8	-176.7	180	175.5	-177	0.3	113.8	L336 I337 N342	L336-R340 PolarHBondContact O-N 3.19Å; L336-R340 VanDerWaalsContact O-N 3.1Å; I337-R340 WeakPolarHBondContact O-CB 3.17Å; I337-R340 PolarHBondContact O-N 3.45Å; R340-N342 PolarHBondContact O-N 2.93Å
341	K	74.1	Confident	80.7	Confident	159 Å²	159	59.1 Å²	59.1	69%	0.691	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.6	-178.2	-65.4	-173.5	177.9	-174	0	113.1	L339	L339-K341 VanDerWaalsContact C-N 3.28Å; L339-K341 PolarHBondContact O-N 3.17Å; L339-K341 VanDerWaalsContact O-N 3.12Å
342	N	77	Confident	80.7	Confident	19 Å²	19	56.7 Å²	56.7	10%	0.102	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-19.6	-175.5	-63.6	-76.9	0	0	0	113.6	L339 R340 S344 I345 A346 V597 L601 R703	L339-N342 WeakPolarHBondContact O-CB 3.28Å; L339-N342 PolarHBondContact O-N 3.35Å; R340-N342 PolarHBondContact O-N 2.93Å; N342-S344 PolarHBondContact O-N 2.82Å; N342-I345 PolarHBondContact O-N 2.78Å; N342-I345 VanDerWaalsContact O-N 3.17Å; N342-A346 PolarHBondContact O-N 3.33Å; N342-V597 HydrophobicContact CB-CG1 3.77Å; N342-V597 WeakPolarHBondContact ND2-CG1 3.04Å; N342-V597 VanDerWaalsContact OD1-CG1 3.26Å; N342-V597 WeakPolarHBondContact OD1-CG1 3.34Å; N342-L601 HydrophobicContact CB-CD1 4.47Å; N342-R703 PolarHBondContact OD1-NH1 2.71Å; N342-R703 PolarHBondContact OD1-NH2 3.33Å
343	L	78.6	Confident	81	Confident	11 Å²	11	55.9 Å²	55.9	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-53.6	-40.3	-177.9	-77.1	167.7	0	0	0	112.6	L339 I345 A346 F347 L601	L339-L343 PolarHBondContact O-N 3.09Å; L343-I345 VanDerWaalsContact C-N 3.35Å; L343-I345 PolarHBondContact O-N 2.97Å; L343-A346 PolarHBondContact O-N 3.5Å; L343-F347 HydrophobicContact CB-CD2 4.44Å; L343-F347 HydrophobicContact CB-CE1 4.33Å; L343-F347 HydrophobicContact CB-CE2 3.86Å; L343-F347 HydrophobicContact CB-CZ 3.81Å; L343-F347 HydrophobicContact CD1-CZ 4.5Å; L343-F347 HydrophobicContact CD2-CE1 3.84Å; L343-F347 HydrophobicContact CD2-CZ 3.71Å; L343-F347 HydrophobicContact CG-CZ 4.21Å; L343-F347 WeakPolarHBondContact O-CB 3.15Å; L343-F347 WeakPolarHBondContact O-CD1 3.45Å; L343-F347 VanDerWaalsContact O-CD2 3.29Å; L343-F347 WeakPolarHBondContact O-CD2 3.22Å; L343-F347 WeakPolarHBondContact O-CG 3.26Å; L343-F347 PolarHBondContact O-N 2.92Å; L343-L601 HydrophobicContact CD2-CD1 3.49Å; L343-L601 VanDerWaalsContact CD2-CD1 3.49Å; L343-L601 HydrophobicContact CD2-CD2 4.24Å; L343-L601 HydrophobicContact CD2-CG 4.21Å; L343-L601 HydrophobicContact CG-CD1 3.86Å
344	S	79.3	Confident	81.2	Confident	68 Å²	68	53.4 Å²	53.4	48%	0.476	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-41.7	-178.9	-175.9	0	0	0	0	113.3	N342 F347 A348	N342-S344 PolarHBondContact O-N 2.82Å; S344-F347 PolarHBondContact O-N 2.92Å; S344-A348 PolarHBondContact O-N 3.33Å
345	I	76.6	Confident	81.3	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-45.4	178.8	-76.9	160.7	0	0	0	110.9	N342 L343 F347 A348 L349 L598 I699 F700	N342-I345 PolarHBondContact O-N 2.78Å; N342-I345 VanDerWaalsContact O-N 3.17Å; L343-I345 VanDerWaalsContact C-N 3.35Å; L343-I345 PolarHBondContact O-N 2.97Å; I345-F347 VanDerWaalsContact C-N 3.28Å; I345-F347 PolarHBondContact O-N 3.06Å; I345-A348 WeakPolarHBondContact O-CB 3.46Å; I345-A348 PolarHBondContact O-N 2.84Å; I345-A348 VanDerWaalsContact O-N 3.1Å; I345-L349 HydrophobicContact CG2-CD1 3.98Å; I345-L349 HydrophobicContact CG2-CG 4.46Å; I345-L349 PolarHBondContact O-N 3.23Å; I345-L598 HydrophobicContact CB-CD2 4.01Å; I345-L598 HydrophobicContact CG2-CD1 3.86Å; I345-L598 HydrophobicContact CG2-CD2 3.51Å; I345-L598 HydrophobicContact CG2-CG 4.36Å; I345-I699 HydrophobicContact CD1-CG2 4.38Å; I345-I699 HydrophobicContact CG1-CG2 3.47Å; I345-I699 VanDerWaalsContact CG1-CG2 3.47Å; I345-F700 HydrophobicContact CB-CZ 4.31Å; I345-F700 HydrophobicContact CD1-CD1 4.06Å; I345-F700 HydrophobicContact CD1-CE1 3.77Å; I345-F700 HydrophobicContact CD1-CZ 4.37Å; I345-F700 HydrophobicContact CG1-CD1 4.44Å; I345-F700 HydrophobicContact CG1-CE1 4.05Å; I345-F700 HydrophobicContact CG1-CZ 4.17Å; I345-F700 HydrophobicContact CG2-CE1 3.63Å; I345-F700 HydrophobicContact CG2-CE2 3.94Å; I345-F700 HydrophobicContact CG2-CZ 3.17Å
346	A	79.4	Confident	81.8	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-37.4	177.9	0	0	0	0	0	111.7	N342 L343 A348 L349 M350 L598 L601 I602	N342-A346 PolarHBondContact O-N 3.33Å; L343-A346 PolarHBondContact O-N 3.5Å; A346-A348 VanDerWaalsContact C-N 3.3Å; A346-A348 PolarHBondContact O-N 2.74Å; A346-L349 PolarHBondContact O-N 2.97Å; A346-M350 WeakPolarHBondContact O-CB 3.32Å; A346-M350 WeakPolarHBondContact O-CG 3.26Å; A346-M350 PolarHBondContact O-N 3.45Å; A346-L598 HydrophobicContact CB-CD2 4.32Å; A346-L601 HydrophobicContact CB-CD2 2.97Å; A346-L601 HydrophobicContact CB-CG 4.43Å; A346-I602 HydrophobicContact CB-CG1 4.12Å
347	F	80.7	Confident	82.3	Confident	33 Å²	33	47 Å²	47	15%	0.145	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-39.1	172.5	-62.7	-19.5	0	0	0	112.1	L264 L343 S344 I345 K351 L605	L264-F347 HydrophobicContact CD1-CD1 3.68Å; L264-F347 HydrophobicContact CD1-CE1 3.29Å; L264-F347 HydrophobicContact CD1-CZ 4.22Å; L343-F347 HydrophobicContact CB-CD2 4.44Å; L343-F347 HydrophobicContact CB-CE1 4.33Å; L343-F347 HydrophobicContact CB-CE2 3.86Å; L343-F347 HydrophobicContact CB-CZ 3.81Å; L343-F347 HydrophobicContact CD1-CZ 4.5Å; L343-F347 HydrophobicContact CD2-CE1 3.84Å; L343-F347 HydrophobicContact CD2-CZ 3.71Å; L343-F347 HydrophobicContact CG-CZ 4.21Å; L343-F347 WeakPolarHBondContact O-CB 3.15Å; L343-F347 WeakPolarHBondContact O-CD1 3.45Å; L343-F347 VanDerWaalsContact O-CD2 3.29Å; L343-F347 WeakPolarHBondContact O-CD2 3.22Å; L343-F347 WeakPolarHBondContact O-CG 3.26Å; L343-F347 PolarHBondContact O-N 2.92Å; S344-F347 PolarHBondContact O-N 2.92Å; I345-F347 VanDerWaalsContact C-N 3.28Å; I345-F347 PolarHBondContact O-N 3.06Å; F347-K351 VanDerWaalsContact O-CB 3.27Å; F347-K351 WeakPolarHBondContact O-CB 3.38Å; F347-K351 PolarHBondContact O-N 3.18Å; F347-L605 HydrophobicContact CE1-CD1 4.17Å
348	A	80.3	Confident	82.5	Confident	15 Å²	15	45.9 Å²	45.9	12%	0.124	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-46.7	174.7	0	0	0	0	0	111.8	S344 I345 A346 M350 K351 E352 L696 I699	S344-A348 PolarHBondContact O-N 3.33Å; I345-A348 WeakPolarHBondContact O-CB 3.46Å; I345-A348 PolarHBondContact O-N 2.84Å; I345-A348 VanDerWaalsContact O-N 3.1Å; A346-A348 VanDerWaalsContact C-N 3.3Å; A346-A348 PolarHBondContact O-N 2.74Å; A348-M350 PolarHBondContact O-N 3.39Å; A348-K351 PolarHBondContact O-N 3.04Å; A348-E352 WeakPolarHBondContact O-CG 3.37Å; A348-E352 PolarHBondContact O-N 3.32Å; A348-L696 HydrophobicContact CB-CD1 3.73Å; A348-I699 HydrophobicContact CB-CD1 3.65Å
349	L	80.5	Confident	83	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-42.3	175.9	-74.7	169.2	0	0	0	112	I345 A346 E352 G353 L598 V668 F672 L696	I345-L349 HydrophobicContact CG2-CD1 3.98Å; I345-L349 HydrophobicContact CG2-CG 4.46Å; I345-L349 PolarHBondContact O-N 3.23Å; A346-L349 PolarHBondContact O-N 2.97Å; L349-E352 PolarHBondContact O-N 3.07Å; L349-G353 PolarHBondContact O-N 2.9Å; L349-L598 HydrophobicContact CD1-CD1 4.21Å; L349-V668 HydrophobicContact CB-CG1 4.48Å; L349-F672 HydrophobicContact CD1-CD2 4.16Å; L349-L696 HydrophobicContact CD2-CD1 4.2Å; L349-L696 HydrophobicContact CD2-CD2 4.3Å; L349-L696 HydrophobicContact CG-CD1 4.33Å
350	M	83.4	Confident	83.8	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-44.9	176.2	-77.2	-173.3	90.2	0	0	111.6	M256 L264 A346 A348 E352 G353 S354 L605 L606 Y664	M256-M350 HydrophobicContact CE-CE 3.47Å; M256-M350 VanDerWaalsContact CE-CE 3.47Å; M256-M350 HydrophobicContact CE-SD 4.15Å; L264-M350 HydrophobicContact CD1-SD 4.22Å; A346-M350 WeakPolarHBondContact O-CB 3.32Å; A346-M350 WeakPolarHBondContact O-CG 3.26Å; A346-M350 PolarHBondContact O-N 3.45Å; A348-M350 PolarHBondContact O-N 3.39Å; M350-E352 VanDerWaalsContact C-N 3.31Å; M350-E352 PolarHBondContact O-N 3.41Å; M350-G353 PolarHBondContact O-N 3.36Å; M350-S354 PolarHBondContact O-N 2.85Å; M350-L605 HydrophobicContact SD-CD1 3.78Å; M350-L606 HydrophobicContact CE-CD2 4.13Å; M350-Y664 VanDerWaalsContact C-OH 3.24Å; M350-Y664 WeakPolarHBondContact CA-OH 3.18Å; M350-Y664 WeakPolarHBondContact CB-OH 3.23Å; M350-Y664 HydrophobicContact CE-CE1 3.88Å; M350-Y664 HydrophobicContact CG-CE1 4.19Å; M350-Y664 WeakPolarHBondContact CG-OH 3.29Å; M350-Y664 PolarHBondContact O-OH 3.4Å
351	K	85	Confident	84.1	Confident	86 Å²	86	37.7 Å²	37.7	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-61.3	-40.6	176.3	-172.2	172.7	-173.6	169.8	0	111.8	F347 A348 R355	F347-K351 VanDerWaalsContact O-CB 3.27Å; F347-K351 WeakPolarHBondContact O-CB 3.38Å; F347-K351 PolarHBondContact O-N 3.18Å; A348-K351 PolarHBondContact O-N 3.04Å; K351-R355 WeakPolarHBondContact O-CG 3.19Å; K351-R355 PolarHBondContact O-N 3.41Å
352	E	86.6	Confident	84.9	Confident	19 Å²	19	33.6 Å²	33.6	9%	0.089	17%	0.168	C	C	.	.	H	α-helix	trans	-71.5	-35.8	175	-67.3	-58.7	162.4	0	0	112.8	A348 L349 M350 R355 A356 T693	A348-E352 WeakPolarHBondContact O-CG 3.37Å; A348-E352 PolarHBondContact O-N 3.32Å; L349-E352 PolarHBondContact O-N 3.07Å; M350-E352 VanDerWaalsContact C-N 3.31Å; M350-E352 PolarHBondContact O-N 3.41Å; E352-R355 WeakPolarHBondContact O-CB 3.42Å; E352-R355 PolarHBondContact O-N 3.28Å; E352-R355 IonicContact OE1-CZ 3.91Å; E352-R355 IonicContact OE1-NH1 3.98Å; E352-R355 PolarHBondContact OE1-NH1 3.2Å; E352-R355 WeakPolarHBondContact OE2-CD 3.42Å; E352-R355 IonicContact OE2-NH1 3.71Å; E352-A356 PolarHBondContact O-N 3.37Å; E352-T693 WeakPolarHBondContact OE1-CG2 3.4Å; E352-T693 PolarHBondContact OE1-OG1 3.45Å
353	G	89.4	Confident	85.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-46	172.9	0	0	0	0	0	112.5	L349 M350 R355 A356 I357	L349-G353 PolarHBondContact O-N 2.9Å; M350-G353 PolarHBondContact O-N 3.36Å; G353-R355 VanDerWaalsContact C-N 3.3Å; G353-R355 PolarHBondContact O-N 2.98Å; G353-A356 WeakPolarHBondContact O-CB 3.48Å; G353-A356 PolarHBondContact O-N 3.47Å; G353-A356 VanDerWaalsContact O-N 3.13Å; G353-I357 WeakPolarHBondContact O-CG1 3.38Å; G353-I357 PolarHBondContact O-N 2.95Å
354	S	88.7	Confident	86	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-38.1	174.5	-177.8	0	0	0	0	112	I253 R257 M350 F358	I253-S354 PolarHBondContact O-OG 2.92Å; I253-S354 VanDerWaalsContact O-OG 3.06Å; R257-S354 WeakPolarHBondContact CB-OG 3.22Å; R257-S354 PolarHBondContact N-OG 3.33Å; M350-S354 PolarHBondContact O-N 2.85Å; S354-F358 WeakPolarHBondContact O-CB 3.39Å; S354-F358 PolarHBondContact O-N 3.13Å
355	R	88.4	Confident	86.5	Confident	81 Å²	81	35.1 Å²	35.1	31%	0.306	17%	0.165	S	C	.	.	H	α-helix	trans	-63.2	-45.3	172.1	-74	170.1	168.8	-172.5	-7.3	112.1	K351 E352 G353 I357 F358 Y359	K351-R355 WeakPolarHBondContact O-CG 3.19Å; K351-R355 PolarHBondContact O-N 3.41Å; E352-R355 WeakPolarHBondContact O-CB 3.42Å; E352-R355 PolarHBondContact O-N 3.28Å; E352-R355 IonicContact OE1-CZ 3.91Å; E352-R355 IonicContact OE1-NH1 3.98Å; E352-R355 PolarHBondContact OE1-NH1 3.2Å; E352-R355 WeakPolarHBondContact OE2-CD 3.42Å; E352-R355 IonicContact OE2-NH1 3.71Å; G353-R355 VanDerWaalsContact C-N 3.3Å; G353-R355 PolarHBondContact O-N 2.98Å; R355-I357 VanDerWaalsContact C-N 3.35Å; R355-I357 PolarHBondContact O-N 2.91Å; R355-F358 WeakPolarHBondContact O-CB 3.46Å; R355-F358 PolarHBondContact O-N 3.43Å; R355-Y359 WeakPolarHBondContact O-CD2 3.49Å; R355-Y359 PolarHBondContact O-N 3.16Å
356	A	90.5	Very high	87.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-45.2	178.7	0	0	0	0	0	111.8	E352 G353 F358 Y359 I360 F476 Y479 L671	E352-A356 PolarHBondContact O-N 3.37Å; G353-A356 WeakPolarHBondContact O-CB 3.48Å; G353-A356 PolarHBondContact O-N 3.47Å; G353-A356 VanDerWaalsContact O-N 3.13Å; A356-F358 VanDerWaalsContact C-N 3.32Å; A356-F358 PolarHBondContact O-N 2.81Å; A356-Y359 PolarHBondContact O-N 3.48Å; A356-I360 PolarHBondContact O-N 3.23Å; A356-F476 HydrophobicContact CB-CD1 4.17Å; A356-Y479 HydrophobicContact CB-CD1 3.38Å; A356-Y479 HydrophobicContact CB-CD2 4.4Å; A356-Y479 HydrophobicContact CB-CE1 3.4Å; A356-Y479 HydrophobicContact CB-CE2 4.44Å; A356-Y479 HydrophobicContact CB-CG 3.91Å; A356-L671 HydrophobicContact CB-CD1 4.23Å
357	I	91.1	Very high	87.6	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-39.7	176.6	-68.5	165.9	0	0	0	111.2	I253 G353 R355 I360 I361 L364 F476 Y664 C667	I253-I357 HydrophobicContact CG2-CD1 4.38Å; I253-I357 HydrophobicContact CG2-CG2 4.33Å; G353-I357 WeakPolarHBondContact O-CG1 3.38Å; G353-I357 PolarHBondContact O-N 2.95Å; R355-I357 VanDerWaalsContact C-N 3.35Å; R355-I357 PolarHBondContact O-N 2.91Å; I357-I360 CarbonylContact O-C 3.58Å; I357-I360 PolarHBondContact O-N 3.39Å; I357-I361 VanDerWaalsContact O-CA 3.31Å; I357-I361 WeakPolarHBondContact O-CA 3.46Å; I357-I361 PolarHBondContact O-N 2.87Å; I357-L364 HydrophobicContact CG2-CD1 3.85Å; I357-L364 HydrophobicContact CG2-CD2 3.72Å; I357-L364 HydrophobicContact CG2-CG 3.73Å; I357-F476 HydrophobicContact CG1-CE1 3.81Å; I357-F476 HydrophobicContact CG1-CZ 3.9Å; I357-Y664 HydrophobicContact CD1-CD2 3.3Å; I357-Y664 HydrophobicContact CD1-CE2 4.05Å; I357-Y664 HydrophobicContact CD1-CG 4Å; I357-C667 HydrophobicContact CD1-CB 4.16Å; I357-C667 HydrophobicContact CG1-CB 4.22Å
358	F	88.3	Confident	88	Confident	94 Å²	94	38.7 Å²	38.7	41%	0.412	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-43.3	176.5	-179.6	-95.7	0	0	0	112.5	L254 S354 R355 A356 I360	L254-F358 HydrophobicContact CD2-CD2 4.28Å; S354-F358 WeakPolarHBondContact O-CB 3.39Å; S354-F358 PolarHBondContact O-N 3.13Å; R355-F358 WeakPolarHBondContact O-CB 3.46Å; R355-F358 PolarHBondContact O-N 3.43Å; A356-F358 VanDerWaalsContact C-N 3.32Å; A356-F358 PolarHBondContact O-N 2.81Å; F358-I360 PolarHBondContact O-N 3.32Å
359	Y	89.1	Confident	88.5	Confident	99 Å²	99	41 Å²	41	39%	0.388	20%	0.197	S	C	.	.	H	α-helix	trans	-68.4	-24.5	175.6	-75.2	-66.1	0	0	0	113	R355 A356 Y479 P486 I489	R355-Y359 WeakPolarHBondContact O-CD2 3.49Å; R355-Y359 PolarHBondContact O-N 3.16Å; A356-Y359 PolarHBondContact O-N 3.48Å; Y359-Y479 HydrophobicContact CD2-CD2 4.2Å; Y359-Y479 AromaticContact CD2-CE2 3.41Å; Y359-Y479 HydrophobicContact CD2-CE2 3.41Å; Y359-Y479 VanDerWaalsContact CD2-CE2 3.41Å; Y359-Y479 HydrophobicContact CE2-CE2 4.07Å; Y359-Y479 HydrophobicContact CG-CE2 4.12Å; Y359-P486 HydrophobicContact CD1-CB 3.79Å; Y359-P486 HydrophobicContact CE1-CB 3.83Å; Y359-P486 HydrophobicContact CE1-CG 4.17Å; Y359-I489 HydrophobicContact CG-CD1 4.38Å
360	I	91.2	Very high	89	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.026	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	61.3	177.9	-47.8	174.1	0	0	0	109.5	A356 I357 F358 C362 T363 A475 F476 P493 V494	A356-I360 PolarHBondContact O-N 3.23Å; I357-I360 CarbonylContact O-C 3.58Å; I357-I360 PolarHBondContact O-N 3.39Å; F358-I360 PolarHBondContact O-N 3.32Å; I360-C362 PolarHBondContact O-N 2.79Å; I360-C362 VanDerWaalsContact O-N 3.07Å; I360-T363 HydrophobicContact CB-CG2 4Å; I360-T363 HydrophobicContact CG2-CG2 3.51Å; I360-T363 WeakPolarHBondContact O-CB 3.31Å; I360-T363 WeakPolarHBondContact O-CG2 3.38Å; I360-T363 PolarHBondContact O-N 2.91Å; I360-T363 PolarHBondContact O-OG1 3.3Å; I360-A475 VanDerWaalsContact CD1-O 3.29Å; I360-A475 WeakPolarHBondContact CD1-O 3.4Å; I360-F476 HydrophobicContact CD1-CD1 4.45Å; I360-P493 HydrophobicContact CB-CG 4.44Å; I360-P493 HydrophobicContact CD1-CG 4.06Å; I360-P493 HydrophobicContact CG1-CG 4.08Å; I360-P493 HydrophobicContact CG2-CG 3.5Å; I360-V494 HydrophobicContact CG2-CG2 3.81Å
361	I	88.7	Confident	89.4	Confident	88 Å²	88	45.7 Å²	45.7	45%	0.451	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-59.3	-27	-174.8	-158.4	168.4	0	0	0	112.7	I357 T363 L364	I357-I361 VanDerWaalsContact O-CA 3.31Å; I357-I361 WeakPolarHBondContact O-CA 3.46Å; I357-I361 PolarHBondContact O-N 2.87Å; I361-T363 PolarHBondContact O-N 3.47Å; I361-L364 HydrophobicContact CG1-CD1 4.07Å; I361-L364 WeakPolarHBondContact O-CB 3.2Å; I361-L364 PolarHBondContact O-N 2.98Å
362	C	89.9	Confident	89.7	Confident	74 Å²	74	47.9 Å²	47.9	50%	0.5	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-56.9	-21.7	174.5	-57.1	0	0	0	0	113.6	I360 L364 F365 V494	I360-C362 PolarHBondContact O-N 2.79Å; I360-C362 VanDerWaalsContact O-N 3.07Å; C362-L364 PolarHBondContact O-N 3.47Å; C362-F365 PolarHBondContact O-N 2.99Å; C362-V494 HydrophobicContact CB-CG2 4.09Å
363	T	92.1	Very high	90	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-63.1	-30.2	174.4	57	0	0	0	0	112.6	I360 I361 F365 Y366 L472 A475 F476 V494	I360-T363 HydrophobicContact CB-CG2 4Å; I360-T363 HydrophobicContact CG2-CG2 3.51Å; I360-T363 WeakPolarHBondContact O-CB 3.31Å; I360-T363 WeakPolarHBondContact O-CG2 3.38Å; I360-T363 PolarHBondContact O-N 2.91Å; I360-T363 PolarHBondContact O-OG1 3.3Å; I361-T363 PolarHBondContact O-N 3.47Å; T363-F365 VanDerWaalsContact C-N 3.27Å; T363-F365 PolarHBondContact O-N 3.23Å; T363-Y366 VanDerWaalsContact O-CB 3.28Å; T363-Y366 WeakPolarHBondContact O-CB 3.04Å; T363-Y366 PolarHBondContact O-N 2.84Å; T363-L472 HydrophobicContact CG2-CD2 3.96Å; T363-A475 HydrophobicContact CG2-CB 4.47Å; T363-F476 HydrophobicContact CG2-CE1 3.75Å; T363-F476 HydrophobicContact CG2-CE2 4.32Å; T363-F476 HydrophobicContact CG2-CZ 3.6Å; T363-V494 HydrophobicContact CG2-CG2 3.72Å
364	L	87.9	Confident	90.3	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-72.1	-19.5	-179.8	-65.3	172.2	0	0	0	113.3	L250 I253 I357 I361 C362 P367 F660	L250-L364 HydrophobicContact CD2-CB 4.2Å; L250-L364 HydrophobicContact CD2-CD1 3.72Å; L250-L364 HydrophobicContact CD2-CD2 4.35Å; L250-L364 HydrophobicContact CD2-CG 4.32Å; I253-L364 HydrophobicContact CD1-CD2 4.24Å; I357-L364 HydrophobicContact CG2-CD1 3.85Å; I357-L364 HydrophobicContact CG2-CD2 3.72Å; I357-L364 HydrophobicContact CG2-CG 3.73Å; I361-L364 HydrophobicContact CG1-CD1 4.07Å; I361-L364 WeakPolarHBondContact O-CB 3.2Å; I361-L364 PolarHBondContact O-N 2.98Å; C362-L364 PolarHBondContact O-N 3.47Å; L364-P367 WeakPolarHBondContact O-CD 3.25Å; L364-F660 HydrophobicContact CB-CE1 4.43Å; L364-F660 HydrophobicContact CD2-CD1 4.2Å; L364-F660 WeakPolarHBondContact O-CE1 3.35Å
365	F	88.3	Confident	90.4	Very high	118 Å²	118	53.1 Å²	53.1	52%	0.518	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-88.7	-13.3	174.7	-64	-78.6	0	0	0	112.7	C362 T363 P367 I368	C362-F365 PolarHBondContact O-N 2.99Å; T363-F365 VanDerWaalsContact C-N 3.27Å; T363-F365 PolarHBondContact O-N 3.23Å; F365-P367 VanDerWaalsContact C-CD 3.41Å; F365-I368 HydrophobicContact CD1-CD1 4.08Å; F365-I368 WeakPolarHBondContact O-CB 3.21Å; F365-I368 PolarHBondContact O-N 3.34Å; F365-I368 VanDerWaalsContact O-N 3.08Å
366	Y	90.8	Very high	90.8	Very high	11 Å²	11	53.3 Å²	53.3	4%	0.043	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-35.5	-179.9	-164.8	-87.4	0	0	0	114.7	T363 I368 V369 T370 G468 T471 L472 V494 F498	T363-Y366 VanDerWaalsContact O-CB 3.28Å; T363-Y366 WeakPolarHBondContact O-CB 3.04Å; T363-Y366 PolarHBondContact O-N 2.84Å; Y366-I368 PolarHBondContact O-N 3.39Å; Y366-V369 WeakPolarHBondContact O-CB 3.4Å; Y366-V369 PolarHBondContact O-N 3.33Å; Y366-V369 VanDerWaalsContact O-N 3.09Å; Y366-T370 WeakPolarHBondContact CD1-OG1 3.5Å; Y366-T370 WeakPolarHBondContact CE1-OG1 3.15Å; Y366-T370 PolarHBondContact O-N 2.95Å; Y366-T370 PolarHBondContact O-OG1 2.93Å; Y366-G468 VanDerWaalsContact OH-CA 3.28Å; Y366-G468 WeakPolarHBondContact OH-CA 3.34Å; Y366-T471 HydrophobicContact CD2-CG2 4.16Å; Y366-T471 HydrophobicContact CE2-CG2 3.57Å; Y366-L472 HydrophobicContact CD1-CD1 4.26Å; Y366-L472 HydrophobicContact CD1-CD2 4.44Å; Y366-L472 HydrophobicContact CD1-CG 4.23Å; Y366-L472 HydrophobicContact CG-CD2 4.16Å; Y366-L472 HydrophobicContact CG-CG 4.4Å; Y366-V494 HydrophobicContact CD2-CG1 3.86Å; Y366-V494 HydrophobicContact CE2-CG1 4.48Å; Y366-F498 HydrophobicContact CE2-CD2 4.22Å
367	P	89.5	Confident	91	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-53.7	-34.4	172.7	-29.2	37.9	0	0	0	113.5	L364 F365 T370 F371 V663	L364-P367 WeakPolarHBondContact O-CD 3.25Å; F365-P367 VanDerWaalsContact C-CD 3.41Å; P367-T370 CarbonylContact O-C 3.5Å; P367-T370 WeakPolarHBondContact O-CB 3.38Å; P367-T370 PolarHBondContact O-N 3.42Å; P367-T370 VanDerWaalsContact O-N 3.17Å; P367-F371 HydrophobicContact CB-CD2 4.29Å; P367-F371 HydrophobicContact CB-CE2 3.94Å; P367-F371 WeakPolarHBondContact O-CB 3.35Å; P367-F371 WeakPolarHBondContact O-CD2 3.16Å; P367-F371 VanDerWaalsContact O-CG 3.29Å; P367-F371 WeakPolarHBondContact O-CG 3.4Å; P367-F371 PolarHBondContact O-N 3.25Å; P367-V663 HydrophobicContact CG-CG2 3.39Å
368	I	88.4	Confident	91.2	Very high	92 Å²	92	58.3 Å²	58.3	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-45.5	178	-57.5	173.8	0	0	0	110.3	F365 Y366 T370 F371 F372	F365-I368 HydrophobicContact CD1-CD1 4.08Å; F365-I368 WeakPolarHBondContact O-CB 3.21Å; F365-I368 PolarHBondContact O-N 3.34Å; F365-I368 VanDerWaalsContact O-N 3.08Å; Y366-I368 PolarHBondContact O-N 3.39Å; I368-T370 VanDerWaalsContact C-N 3.27Å; I368-T370 PolarHBondContact O-N 3.28Å; I368-F371 PolarHBondContact O-N 2.96Å; I368-F372 WeakPolarHBondContact O-CB 3.47Å; I368-F372 PolarHBondContact O-N 3.4Å
369	V	90.8	Very high	91.5	Very high	64 Å²	64	56.4 Å²	56.4	39%	0.388	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-41.4	175	-179.2	0	0	0	0	110.5	Y366 F372 L373	Y366-V369 WeakPolarHBondContact O-CB 3.4Å; Y366-V369 PolarHBondContact O-N 3.33Å; Y366-V369 VanDerWaalsContact O-N 3.09Å; V369-F372 PolarHBondContact O-N 3.01Å; V369-L373 HydrophobicContact CG1-CD1 4.17Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 2.97Å; V369-L373 PolarHBondContact O-N 3.31Å
370	T	91.4	Very high	91.8	Very high	20 Å²	20	54 Å²	54	12%	0.123	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-47	178.8	-55.1	0	0	0	0	111	Y366 P367 I368 F372 L373 L374 V464 L465	Y366-T370 WeakPolarHBondContact CD1-OG1 3.5Å; Y366-T370 WeakPolarHBondContact CE1-OG1 3.15Å; Y366-T370 PolarHBondContact O-N 2.95Å; Y366-T370 PolarHBondContact O-OG1 2.93Å; P367-T370 CarbonylContact O-C 3.5Å; P367-T370 WeakPolarHBondContact O-CB 3.38Å; P367-T370 PolarHBondContact O-N 3.42Å; P367-T370 VanDerWaalsContact O-N 3.17Å; I368-T370 VanDerWaalsContact C-N 3.27Å; I368-T370 PolarHBondContact O-N 3.28Å; T370-F372 VanDerWaalsContact C-N 3.35Å; T370-F372 PolarHBondContact O-N 3.2Å; T370-L373 PolarHBondContact O-N 3.37Å; T370-L374 HydrophobicContact CG2-CD1 4.07Å; T370-L374 HydrophobicContact CG2-CG 4.42Å; T370-L374 WeakPolarHBondContact O-CB 3.4Å; T370-L374 VanDerWaalsContact O-CG 3.26Å; T370-L374 WeakPolarHBondContact O-CG 3.37Å; T370-L374 PolarHBondContact O-N 3.45Å; T370-V464 HydrophobicContact CG2-CG1 4.19Å; T370-L465 HydrophobicContact CG2-CD2 4.15Å
371	F	90.4	Very high	92.1	Very high	83 Å²	83	54.3 Å²	54.3	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-41.1	177.8	-69.3	-48.2	0	0	0	112.1	P367 I368 L374 A375	P367-F371 HydrophobicContact CB-CD2 4.29Å; P367-F371 HydrophobicContact CB-CE2 3.94Å; P367-F371 WeakPolarHBondContact O-CB 3.35Å; P367-F371 WeakPolarHBondContact O-CD2 3.16Å; P367-F371 VanDerWaalsContact O-CG 3.29Å; P367-F371 WeakPolarHBondContact O-CG 3.4Å; P367-F371 PolarHBondContact O-N 3.25Å; I368-F371 PolarHBondContact O-N 2.96Å; F371-L374 PolarHBondContact O-N 2.62Å; F371-A375 VanDerWaalsContact O-CB 3.29Å; F371-A375 WeakPolarHBondContact O-CB 3.48Å; F371-A375 PolarHBondContact O-N 3.46Å
372	F	92.6	Very high	92.3	Very high	133 Å²	133	52.5 Å²	52.5	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-60.5	-48.6	175.7	178	-104.5	0	0	0	112	I368 V369 T370 L374 A375 I376	I368-F372 WeakPolarHBondContact O-CB 3.47Å; I368-F372 PolarHBondContact O-N 3.4Å; V369-F372 PolarHBondContact O-N 3.01Å; T370-F372 VanDerWaalsContact C-N 3.35Å; T370-F372 PolarHBondContact O-N 3.2Å; F372-L374 PolarHBondContact O-N 2.96Å; F372-A375 PolarHBondContact O-N 3.39Å; F372-I376 HydrophobicContact CD1-CD1 3.86Å; F372-I376 HydrophobicContact CE1-CD1 3.39Å; F372-I376 HydrophobicContact CE2-CD1 4.31Å; F372-I376 HydrophobicContact CG-CD1 4.5Å; F372-I376 HydrophobicContact CZ-CD1 3.65Å; F372-I376 HydrophobicContact CZ-CG1 4.44Å; F372-I376 WeakPolarHBondContact O-CG1 3.31Å; F372-I376 PolarHBondContact O-N 3.37Å
373	L	93.4	Very high	92.5	Very high	50 Å²	50	51.9 Å²	51.9	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-39.2	177.8	-68.5	175.5	0	0	0	112.6	V369 T370 I376 C377 V464	V369-L373 HydrophobicContact CG1-CD1 4.17Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 2.97Å; V369-L373 PolarHBondContact O-N 3.31Å; T370-L373 PolarHBondContact O-N 3.37Å; L373-I376 PolarHBondContact O-N 3.25Å; L373-C377 PolarHBondContact O-N 2.84Å; L373-C377 VanDerWaalsContact O-N 3.15Å; L373-C377 PolarHBondContact O-SG 3.43Å; L373-V464 HydrophobicContact CB-CG1 3.65Å; L373-V464 HydrophobicContact CB-CG2 3.99Å; L373-V464 HydrophobicContact CD1-CG1 4.18Å
374	L	93.9	Very high	92.6	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-39.2	174.6	-70.4	178.1	0	0	0	111.9	T370 F371 F372 I376 C377 I378 V461 V464 L465	T370-L374 HydrophobicContact CG2-CD1 4.07Å; T370-L374 HydrophobicContact CG2-CG 4.42Å; T370-L374 WeakPolarHBondContact O-CB 3.4Å; T370-L374 VanDerWaalsContact O-CG 3.26Å; T370-L374 WeakPolarHBondContact O-CG 3.37Å; T370-L374 PolarHBondContact O-N 3.45Å; F371-L374 PolarHBondContact O-N 2.62Å; F372-L374 PolarHBondContact O-N 2.96Å; L374-I376 VanDerWaalsContact C-N 3.33Å; L374-I376 PolarHBondContact O-N 2.87Å; L374-C377 WeakPolarHBondContact O-CB 3.3Å; L374-C377 PolarHBondContact O-N 3.27Å; L374-I378 VanDerWaalsContact O-CG1 3.29Å; L374-I378 WeakPolarHBondContact O-CG1 3.23Å; L374-I378 PolarHBondContact O-N 2.98Å; L374-V461 HydrophobicContact CD2-CB 4.14Å; L374-V461 HydrophobicContact CD2-CG1 3.84Å; L374-V461 HydrophobicContact CD2-CG2 4.04Å; L374-V464 HydrophobicContact CD2-CB 4.05Å; L374-V464 HydrophobicContact CD2-CG1 3.93Å; L374-V464 HydrophobicContact CG-CG1 3.99Å; L374-L465 HydrophobicContact CD1-CD2 4.31Å
375	A	92.4	Very high	92.8	Very high	54 Å²	54	52.6 Å²	52.6	45%	0.446	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-41.4	176.2	0	0	0	0	0	111.4	F371 F372 C377 I378 A379	F371-A375 VanDerWaalsContact O-CB 3.29Å; F371-A375 WeakPolarHBondContact O-CB 3.48Å; F371-A375 PolarHBondContact O-N 3.46Å; F372-A375 PolarHBondContact O-N 3.39Å; A375-C377 VanDerWaalsContact C-N 3.34Å; A375-C377 PolarHBondContact O-N 2.65Å; A375-I378 PolarHBondContact O-N 2.93Å; A375-A379 VanDerWaalsContact O-CB 3.23Å; A375-A379 WeakPolarHBondContact O-CB 3.27Å; A375-A379 PolarHBondContact O-N 3.36Å
376	I	95.3	Very high	92.9	Very high	84 Å²	84	50.2 Å²	50.2	43%	0.431	29%	0.286	S	S	.	.	H	α-helix	trans	-58.6	-46.8	172.7	-68.1	161.1	0	0	0	110.7	F372 L373 L374 A379 Y380	F372-I376 HydrophobicContact CD1-CD1 3.86Å; F372-I376 HydrophobicContact CE1-CD1 3.39Å; F372-I376 HydrophobicContact CE2-CD1 4.31Å; F372-I376 HydrophobicContact CG-CD1 4.5Å; F372-I376 HydrophobicContact CZ-CD1 3.65Å; F372-I376 HydrophobicContact CZ-CG1 4.44Å; F372-I376 WeakPolarHBondContact O-CG1 3.31Å; F372-I376 PolarHBondContact O-N 3.37Å; L373-I376 PolarHBondContact O-N 3.25Å; L374-I376 VanDerWaalsContact C-N 3.33Å; L374-I376 PolarHBondContact O-N 2.87Å; I376-A379 PolarHBondContact O-N 3.12Å; I376-Y380 VanDerWaalsContact O-CB 3.28Å; I376-Y380 WeakPolarHBondContact O-CB 3.33Å; I376-Y380 PolarHBondContact O-N 2.93Å
377	C	96.1	Very high	92.9	Very high	17 Å²	17	51.8 Å²	51.8	12%	0.115	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-43.5	179.6	-66.4	0	0	0	0	112.3	L373 L374 A375 S381 V461	L373-C377 PolarHBondContact O-N 2.84Å; L373-C377 VanDerWaalsContact O-N 3.15Å; L373-C377 PolarHBondContact O-SG 3.43Å; L374-C377 WeakPolarHBondContact O-CB 3.3Å; L374-C377 PolarHBondContact O-N 3.27Å; A375-C377 VanDerWaalsContact C-N 3.34Å; A375-C377 PolarHBondContact O-N 2.65Å; C377-S381 VanDerWaalsContact O-CB 3.28Å; C377-S381 WeakPolarHBondContact O-CB 3.45Å; C377-S381 PolarHBondContact O-N 3.43Å; C377-S381 VanDerWaalsContact O-N 3.08Å; C377-V461 HydrophobicContact CB-CG2 4.41Å
378	I	94.9	Very high	92.9	Very high	91 Å²	91	51.3 Å²	51.3	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-49.2	178.3	-68.1	165.2	0	0	0	110.4	L374 A375 S381 A382 F457	L374-I378 VanDerWaalsContact O-CG1 3.29Å; L374-I378 WeakPolarHBondContact O-CG1 3.23Å; L374-I378 PolarHBondContact O-N 2.98Å; A375-I378 PolarHBondContact O-N 2.93Å; I378-S381 PolarHBondContact O-N 2.91Å; I378-A382 WeakPolarHBondContact O-CB 3.34Å; I378-A382 PolarHBondContact O-N 3.27Å; I378-F457 HydrophobicContact CB-CE2 4.41Å; I378-F457 HydrophobicContact CG1-CE2 3.74Å; I378-F457 HydrophobicContact CG1-CZ 4.06Å
379	A	94.6	Very high	92.8	Very high	53 Å²	53	49.9 Å²	49.9	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-59.9	-49.9	-179.9	0	0	0	0	0	111	A375 I376 S381 A382 V383	A375-A379 VanDerWaalsContact O-CB 3.23Å; A375-A379 WeakPolarHBondContact O-CB 3.27Å; A375-A379 PolarHBondContact O-N 3.36Å; I376-A379 PolarHBondContact O-N 3.12Å; A379-S381 PolarHBondContact O-N 3.34Å; A379-A382 PolarHBondContact O-N 2.99Å; A379-V383 WeakPolarHBondContact O-CB 3.3Å; A379-V383 VanDerWaalsContact O-CG2 3.23Å; A379-V383 WeakPolarHBondContact O-CG2 3.2Å; A379-V383 PolarHBondContact O-N 3.4Å
380	Y	95.8	Very high	92.6	Very high	49 Å²	49	47.1 Å²	47.1	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-44.7	179.6	-173.2	-86.5	0	0	0	112.3	Y49 I50 G53 W57 I376 T384	Y49-Y380 AromaticContact CD1-CD1 3.92Å; Y49-Y380 HydrophobicContact CD1-CD1 3.92Å; Y49-Y380 AromaticContact CD1-CE1 3.55Å; Y49-Y380 HydrophobicContact CD1-CE1 3.55Å; Y49-Y380 HydrophobicContact CD2-CE1 4.32Å; Y49-Y380 AromaticContact CE1-CD1 3.26Å; Y49-Y380 HydrophobicContact CE1-CD1 3.26Å; Y49-Y380 AromaticContact CE1-CE1 3.3Å; Y49-Y380 HydrophobicContact CE1-CE1 3.3Å; Y49-Y380 HydrophobicContact CE2-CE1 4.07Å; Y49-Y380 HydrophobicContact CG-CE1 4.07Å; Y49-Y380 AromaticContact CZ-CD1 3.6Å; Y49-Y380 AromaticContact CZ-CE1 3.57Å; Y49-Y380 PolarHBondContact O-OH 3.25Å; I50-Y380 WeakPolarHBondContact CA-OH 3.38Å; I50-Y380 PolarHBondContact O-OH 2.82Å; G53-Y380 WeakPolarHBondContact CA-OH 3.18Å; W57-Y380 HydrophobicContact CH2-CD2 4.33Å; W57-Y380 AromaticContact CH2-CE2 3.74Å; W57-Y380 HydrophobicContact CH2-CE2 3.74Å; W57-Y380 HydrophobicContact CZ2-CD2 4.46Å; W57-Y380 HydrophobicContact CZ2-CE2 4.09Å; I376-Y380 VanDerWaalsContact O-CB 3.28Å; I376-Y380 WeakPolarHBondContact O-CB 3.33Å; I376-Y380 PolarHBondContact O-N 2.93Å; Y380-T384 VanDerWaalsContact O-CB 3.32Å; Y380-T384 WeakPolarHBondContact O-CB 3.22Å; Y380-T384 PolarHBondContact O-N 3.47Å; Y380-T384 PolarHBondContact O-OG1 2.95Å
381	S	96.7	Very high	92.3	Very high	12 Å²	12	46.5 Å²	46.5	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-41.9	178	178.9	0	0	0	0	112.8	Y49 C377 I378 A379 T384 A385 N453	Y49-S381 WeakPolarHBondContact OH-CA 3.32Å; Y49-S381 WeakPolarHBondContact OH-CB 3.27Å; C377-S381 VanDerWaalsContact O-CB 3.28Å; C377-S381 WeakPolarHBondContact O-CB 3.45Å; C377-S381 PolarHBondContact O-N 3.43Å; C377-S381 VanDerWaalsContact O-N 3.08Å; I378-S381 PolarHBondContact O-N 2.91Å; A379-S381 PolarHBondContact O-N 3.34Å; S381-T384 PolarHBondContact O-N 3.13Å; S381-A385 VanDerWaalsContact O-CB 3.27Å; S381-A385 WeakPolarHBondContact O-CB 3.42Å; S381-A385 PolarHBondContact O-N 3.13Å; S381-N453 PolarHBondContact O-ND2 2.85Å; S381-N453 PolarHBondContact OG-ND2 3.35Å
382	A	93.2	Very high	91.9	Very high	49 Å²	49	42.6 Å²	42.6	41%	0.405	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-46.9	178.9	0	0	0	0	0	111.4	I378 A379 A385 V386	I378-A382 WeakPolarHBondContact O-CB 3.34Å; I378-A382 PolarHBondContact O-N 3.27Å; A379-A382 PolarHBondContact O-N 2.99Å; A382-A385 PolarHBondContact O-N 3.05Å; A382-V386 WeakPolarHBondContact O-CG2 3.3Å; A382-V386 PolarHBondContact O-N 2.88Å
383	V	93.3	Very high	91.4	Very high	61 Å²	61	41.3 Å²	41.3	37%	0.37	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-48.6	176.5	179.7	0	0	0	0	109.7	W57 A379 A385 V386 F387	W57-V383 HydrophobicContact CZ2-CG1 4.27Å; A379-V383 WeakPolarHBondContact O-CB 3.3Å; A379-V383 VanDerWaalsContact O-CG2 3.23Å; A379-V383 WeakPolarHBondContact O-CG2 3.2Å; A379-V383 PolarHBondContact O-N 3.4Å; V383-A385 VanDerWaalsContact C-N 3.29Å; V383-A385 PolarHBondContact O-N 3.44Å; V383-V386 PolarHBondContact O-N 3Å; V383-F387 HydrophobicContact CG1-CD2 3.68Å; V383-F387 HydrophobicContact CG1-CE2 3.7Å; V383-F387 VanDerWaalsContact O-CD2 3.3Å; V383-F387 WeakPolarHBondContact O-CD2 3.37Å; V383-F387 PolarHBondContact O-N 3.36Å
384	T	94.4	Very high	90.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.1	-43.2	177.2	-58.7	0	0	0	0	111.7	A56 Y380 S381 F387 L388	A56-T384 HydrophobicContact CB-CG2 4.37Å; Y380-T384 VanDerWaalsContact O-CB 3.32Å; Y380-T384 WeakPolarHBondContact O-CB 3.22Å; Y380-T384 PolarHBondContact O-N 3.47Å; Y380-T384 PolarHBondContact O-OG1 2.95Å; S381-T384 PolarHBondContact O-N 3.13Å; T384-F387 PolarHBondContact O-N 3.35Å; T384-L388 WeakPolarHBondContact O-CB 3.33Å; T384-L388 PolarHBondContact O-N 3.28Å
385	A	93.1	Very high	90.3	Very high	27 Å²	27	40.9 Å²	40.9	22%	0.223	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-43.8	178.1	0	0	0	0	0	112.8	S381 A382 V383 L388 A389 H450	S381-A385 VanDerWaalsContact O-CB 3.27Å; S381-A385 WeakPolarHBondContact O-CB 3.42Å; S381-A385 PolarHBondContact O-N 3.13Å; A382-A385 PolarHBondContact O-N 3.05Å; V383-A385 VanDerWaalsContact C-N 3.29Å; V383-A385 PolarHBondContact O-N 3.44Å; A385-L388 PolarHBondContact O-N 3.04Å; A385-A389 VanDerWaalsContact O-CB 3.3Å; A385-A389 WeakPolarHBondContact O-CB 3.47Å; A385-A389 PolarHBondContact O-N 2.83Å; A385-H450 PolarHBondContact O-CE1 3.42Å
386	V	89.9	Confident	89.9	Confident	67 Å²	67	40.4 Å²	40.4	41%	0.406	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-46.9	177.6	169.6	0	0	0	0	110.6	P62 I65 A382 V383 A389 S390	P62-V386 HydrophobicContact CB-CG1 4.48Å; I65-V386 HydrophobicContact CD1-CG1 4.02Å; A382-V386 WeakPolarHBondContact O-CG2 3.3Å; A382-V386 PolarHBondContact O-N 2.88Å; V383-V386 PolarHBondContact O-N 3Å; V386-A389 PolarHBondContact O-N 3.19Å; V386-S390 WeakPolarHBondContact O-CB 3.4Å; V386-S390 PolarHBondContact O-N 2.9Å; V386-S390 PolarHBondContact O-OG 2.91Å
387	F	90.3	Very high	89.3	Confident	44 Å²	44	39.1 Å²	39.1	19%	0.193	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-40.8	-179.5	-87.4	-97	0	0	0	112.2	A56 W57 G60 P62 V383 T384 S390 S391	A56-F387 HydrophobicContact CB-CB 4.21Å; W57-F387 HydrophobicContact CB-CD1 4.42Å; W57-F387 AromaticContact CD1-CD1 3.74Å; W57-F387 AromaticContact CD1-CD2 3.58Å; W57-F387 AromaticContact CD1-CE2 3.86Å; W57-F387 AromaticContact CD1-CG 3.48Å; W57-F387 VanDerWaalsContact CD1-CG 3.48Å; W57-F387 HydrophobicContact CG-CD1 4.49Å; W57-F387 AromaticContact NE1-CD2 3.94Å; G60-F387 WeakPolarHBondContact CA-O 3.38Å; P62-F387 HydrophobicContact CG-CD1 4.17Å; P62-F387 HydrophobicContact CG-CD2 4.12Å; P62-F387 HydrophobicContact CG-CE1 3.68Å; P62-F387 HydrophobicContact CG-CE2 3.62Å; P62-F387 HydrophobicContact CG-CG 4.4Å; P62-F387 HydrophobicContact CG-CZ 3.39Å; V383-F387 HydrophobicContact CG1-CD2 3.68Å; V383-F387 HydrophobicContact CG1-CE2 3.7Å; V383-F387 VanDerWaalsContact O-CD2 3.3Å; V383-F387 WeakPolarHBondContact O-CD2 3.37Å; V383-F387 PolarHBondContact O-N 3.36Å; T384-F387 PolarHBondContact O-N 3.35Å; F387-S390 WeakPolarHBondContact CA-OG 3.48Å; F387-S390 CarbonylContact O-C 3.54Å; F387-S390 PolarHBondContact O-N 3.15Å; F387-S390 PolarHBondContact O-OG 3.29Å; F387-S391 PolarHBondContact O-N 3.45Å; F387-S391 VanDerWaalsContact O-N 3.1Å
388	L	90.1	Very high	88.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-42.8	174	-172.9	62.2	0	0	0	111.9	T384 A385 S390 S391 Y442 I446 L449 H450	T384-L388 WeakPolarHBondContact O-CB 3.33Å; T384-L388 PolarHBondContact O-N 3.28Å; A385-L388 PolarHBondContact O-N 3.04Å; L388-S390 PolarHBondContact O-N 3.26Å; L388-S391 WeakPolarHBondContact O-CB 3.4Å; L388-S391 PolarHBondContact O-N 2.91Å; L388-S391 VanDerWaalsContact O-N 3.15Å; L388-S391 PolarHBondContact O-OG 3.08Å; L388-Y442 HydrophobicContact CD1-CE2 4.38Å; L388-Y442 WeakPolarHBondContact CD1-OH 3.4Å; L388-I446 HydrophobicContact CD1-CG1 4.22Å; L388-I446 HydrophobicContact CD1-CG2 4.43Å; L388-I446 HydrophobicContact CG-CG2 4.28Å; L388-L449 HydrophobicContact CD1-CB 3.99Å; L388-L449 HydrophobicContact CD1-CD1 3.92Å; L388-L449 HydrophobicContact CD2-CB 3.57Å; L388-L449 HydrophobicContact CG-CB 4.42Å; L388-H450 HydrophobicContact CD2-CB 4.21Å
389	A	86.3	Confident	87.7	Confident	62 Å²	62	36.8 Å²	36.8	51%	0.512	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-28.4	175.9	0	0	0	0	0	112.8	I65 A385 V386	I65-A389 HydrophobicContact CD1-CB 4.45Å; A385-A389 VanDerWaalsContact O-CB 3.3Å; A385-A389 WeakPolarHBondContact O-CB 3.47Å; A385-A389 PolarHBondContact O-N 2.83Å; V386-A389 PolarHBondContact O-N 3.19Å
390	S	86.9	Confident	86.7	Confident	5 Å²	5	34.7 Å²	34.7	4%	0.035	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.5	176.8	73.5	0	0	0	0	114.4	G60 D61 K64 V386 F387 L388	G60-S390 WeakPolarHBondContact CA-OG 3.29Å; D61-S390 PolarHBondContact N-OG 3.42Å; D61-S390 VanDerWaalsContact O-CB 3.29Å; D61-S390 WeakPolarHBondContact O-CB 3.49Å; K64-S390 WeakPolarHBondContact CD-O 3.19Å; K64-S390 PolarHBondContact NZ-O 2.94Å; V386-S390 WeakPolarHBondContact O-CB 3.4Å; V386-S390 PolarHBondContact O-N 2.9Å; V386-S390 PolarHBondContact O-OG 2.91Å; F387-S390 WeakPolarHBondContact CA-OG 3.48Å; F387-S390 CarbonylContact O-C 3.54Å; F387-S390 PolarHBondContact O-N 3.15Å; F387-S390 PolarHBondContact O-OG 3.29Å; L388-S390 PolarHBondContact O-N 3.26Å
391	S	84.6	Confident	85.1	Confident	8 Å²	8	35.9 Å²	35.9	6%	0.056	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-80.3	130.5	-179.4	71.6	0	0	0	0	110.5	F387 L388 Y442 I446	F387-S391 PolarHBondContact O-N 3.45Å; F387-S391 VanDerWaalsContact O-N 3.1Å; L388-S391 WeakPolarHBondContact O-CB 3.4Å; L388-S391 PolarHBondContact O-N 2.91Å; L388-S391 VanDerWaalsContact O-N 3.15Å; L388-S391 PolarHBondContact O-OG 3.08Å; S391-Y442 WeakPolarHBondContact OG-CE1 3.46Å; S391-Y442 PolarHBondContact OG-OH 3.24Å; S391-I446 VanDerWaalsContact OG-CD1 3.25Å; S391-I446 WeakPolarHBondContact OG-CD1 3.45Å
392	G	81.6	Confident	83.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.238	C	C	.	.			trans	151.6	137.7	-170.1	0	0	0	0	0	112.4	K64 H443	K64-G392 PolarHBondContact NZ-O 3.05Å; G392-H443 VanDerWaalsContact CA-NE2 3.26Å; G392-H443 WeakPolarHBondContact CA-NE2 3.22Å; G392-H443 PolarHBondContact N-NE2 3.37Å
393	N	82.2	Confident	82.3	Confident	107 Å²	107	42.6 Å²	42.6	57%	0.572	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	157	168.1	-66.4	-32.9	0	0	0	110	I395 Y436 G437	N393-I395 PolarHBondContact O-N 3.22Å; N393-Y436 CarbonylContact O-C 3.57Å; N393-Y436 WeakPolarHBondContact O-CA 3.33Å; N393-G437 CarbonylContact C-O 3.3Å; N393-G437 WeakPolarHBondContact CA-O 3.24Å; N393-G437 PolarHBondContact N-O 3.46Å; N393-G437 PolarHBondContact O-N 2.94Å
394	A	81.4	Confident	81.1	Confident	35 Å²	35	48.4 Å²	48.4	29%	0.289	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	117.3	176.3	0	0	0	0	0	110	Y396 F433 Y436	A394-Y396 HydrophobicContact CB-CE2 3.77Å; A394-Y396 WeakPolarHBondContact O-CE2 3.29Å; A394-F433 HydrophobicContact CB-CD2 3.91Å; A394-F433 HydrophobicContact CB-CE2 3.76Å; A394-Y436 HydrophobicContact CB-CD1 4.32Å; A394-Y436 HydrophobicContact CB-CE1 4.13Å
395	I	82.6	Confident	80.3	Confident	34 Å²	34	49 Å²	49	17%	0.174	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.9	174.7	-56.7	-59.9	0	0	0	108.3	N393 T411 A434 F435	N393-I395 PolarHBondContact O-N 3.22Å; I395-T411 HydrophobicContact CG2-CG2 4.1Å; I395-A434 WeakPolarHBondContact O-CB 3.41Å; I395-A434 PolarHBondContact O-N 2.8Å; I395-F435 PolarHBondContact N-O 3.21Å; I395-F435 PolarHBondContact O-N 2.8Å
396	Y	84	Confident	79.7	Confident	44 Å²	44	55.2 Å²	55.2	17%	0.173	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.1	178.8	-54.9	-102.9	0	0	0	109.4	Q72 A394 T411 C412 P414 C431 M432 F433	Q72-Y396 PolarHBondContact O-OH 2.83Å; A394-Y396 HydrophobicContact CB-CE2 3.77Å; A394-Y396 WeakPolarHBondContact O-CE2 3.29Å; Y396-T411 WeakPolarHBondContact O-CA 3.37Å; Y396-C412 WeakPolarHBondContact CB-O 3.3Å; Y396-C412 PolarHBondContact O-N 3Å; Y396-P414 HydrophobicContact CD1-CG 3.39Å; Y396-P414 HydrophobicContact CD2-CG 4.01Å; Y396-P414 HydrophobicContact CE1-CG 3.59Å; Y396-P414 HydrophobicContact CE2-CG 4.18Å; Y396-P414 HydrophobicContact CG-CG 3.65Å; Y396-C431 VanDerWaalsContact CB-SG 3.52Å; Y396-M432 CarbonylContact C-O 3.57Å; Y396-M432 VanDerWaalsContact CA-O 3.22Å; Y396-M432 WeakPolarHBondContact CA-O 3.33Å; Y396-F433 VanDerWaalsContact CD1-CA 3.48Å; Y396-F433 HydrophobicContact CD1-CB 3.92Å; Y396-F433 HydrophobicContact CE1-CB 3.83Å; Y396-F433 HydrophobicContact CE1-CD2 4.4Å
397	K	82.7	Confident	79.2	Confident	56 Å²	56	54.1 Å²	54.1	24%	0.243	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.9	-180	-70.7	-172	173	-169.2	0	111.7	T399 L410 M432 A434	K397-T399 PolarHBondContact O-N 3.13Å; K397-L410 VanDerWaalsContact CA-O 3.3Å; K397-L410 WeakPolarHBondContact CA-O 3.47Å; K397-M432 PolarHBondContact N-O 3.35Å; K397-M432 PolarHBondContact O-N 2.99Å; K397-A434 HydrophobicContact CB-CB 3.98Å; K397-A434 HydrophobicContact CD-CB 4Å; K397-A434 HydrophobicContact CG-CB 3.77Å
398	V	82	Confident	78.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	119	174.9	-175.6	0	0	0	0	109.8	H407 N409 L410 C412 F417 I422 A429 Q430	V398-H407 WeakPolarHBondContact CB-O 3.3Å; V398-N409 PolarHBondContact O-N 2.64Å; V398-L410 HydrophobicContact CG2-CB 4.49Å; V398-L410 PolarHBondContact N-O 3.2Å; V398-C412 HydrophobicContact CG2-CB 3.72Å; V398-F417 HydrophobicContact CG1-CE2 4.23Å; V398-F417 HydrophobicContact CG1-CZ 4.44Å; V398-F417 HydrophobicContact CG2-CE2 3.87Å; V398-I422 HydrophobicContact CG1-CG2 4.09Å; V398-I422 HydrophobicContact CG2-CG2 4.44Å; V398-A429 HydrophobicContact CG1-CB 3.92Å; V398-Q430 CarbonylContact C-O 3.47Å; V398-Q430 WeakPolarHBondContact CA-O 3.33Å
399	T	75.6	Confident	77.9	Confident	60 Å²	60	62.2 Å²	62.2	37%	0.368	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	174	-53	0	0	0	0	108.4	K397 A429 Q430	K397-T399 PolarHBondContact O-N 3.13Å; T399-A429 CarbonylContact O-C 3.56Å; T399-A429 WeakPolarHBondContact O-CA 3.4Å; T399-Q430 PolarHBondContact N-O 3.17Å; T399-Q430 PolarHBondContact O-N 3.49Å
400	S	73.3	Confident	77.7	Confident	8 Å²	8	63.7 Å²	63.7	6%	0.056	33%	0.327	C	S	.	.			trans	-124.5	140.9	176.4	175.8	0	0	0	0	109.3	D402	S400-D402 VanDerWaalsContact C-N 3.26Å; S400-D402 PolarHBondContact OG-N 3.41Å; S400-D402 VanDerWaalsContact OG-N 3.13Å; S400-D402 PolarHBondContact OG-O 3.49Å
401	P	63	Low	77.6	Confident	74 Å²	74	67.3 Å²	67.3	48%	0.481	35%	0.349	S	S	.	.	S	Bend	trans	-70.1	-23	169.8	27.3	-31.6	0	0	0	112.5	R157 G428	R157-P401 HydrophobicContact CG-CG 3.73Å; P401-G428 VanDerWaalsContact CD-O 3.31Å; P401-G428 WeakPolarHBondContact CD-O 3.45Å
402	D	66.4	Low	77.6	Confident	82 Å²	82	67.8 Å²	67.8	44%	0.439	35%	0.352	S	S	.	.	S	Bend	trans	-84.7	116.1	173.3	-170.3	-3.4	0	0	0	110.8	S400 K404 C405	S400-D402 VanDerWaalsContact C-N 3.26Å; S400-D402 PolarHBondContact OG-N 3.41Å; S400-D402 VanDerWaalsContact OG-N 3.13Å; S400-D402 PolarHBondContact OG-O 3.49Å; D402-K404 PolarHBondContact O-N 2.87Å; D402-K404 WeakPolarHBondContact OD1-CB 3.46Å; D402-K404 PolarHBondContact OD1-N 3.08Å; D402-C405 PolarHBondContact O-N 2.79Å
403	D	65.1	Low	77.7	Confident	120 Å²	120	70.4 Å²	70.4	64%	0.642	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.7	178.1	-106.2	-6.3	0	0	0	112.8	R408	D403-R408 IonicContact OD1-CZ 3.66Å; D403-R408 IonicContact OD1-NH1 2.69Å; D403-R408 PolarHBondContact OD1-NH1 3.44Å; D403-R408 IonicContact OD1-NH2 3.86Å; D403-R408 PolarHBondContact OD1-NH2 3.41Å
404	K	68.8	Low	77.7	Confident	184 Å²	184	67.1 Å²	67.1	80%	0.8	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	0.2	179.4	-63.2	179.1	-177.7	175.3	0	114.4	D402 I406	D402-K404 PolarHBondContact O-N 2.87Å; D402-K404 WeakPolarHBondContact OD1-CB 3.46Å; D402-K404 PolarHBondContact OD1-N 3.08Å; K404-I406 PolarHBondContact O-N 2.95Å
405	C	76.9	Confident	77.6	Confident	11 Å²	11	74.6 Å²	74.6	7%	0.074	38%	0.381	C	S	.	.			trans	-68.6	122.6	180	177.8	0	0	0	0	112	D402 H407 R408 C426	D402-C405 PolarHBondContact O-N 2.79Å; C405-H407 VanDerWaalsContact C-N 3.26Å; C405-H407 PolarHBondContact O-N 2.88Å; C405-R408 WeakPolarHBondContact O-CB 3.39Å; C405-R408 PolarHBondContact O-N 3.24Å; C405-C426 HydrophobicContact CB-CB 3.97Å; C405-C426 WeakPolarHBondContact CB-SG 3.26Å; C405-C426 WeakPolarHBondContact SG-CB 3.49Å; C405-C426 CovalentContact SG-SG 2.04Å; C405-C426 PolarHBondContact SG-SG 3.01Å
406	I	79.6	Confident	77.6	Confident	159 Å²	159	76.2 Å²	76.2	82%	0.815	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-30	-178.2	-59.3	173.6	0	0	0	111.8	K404 R408	K404-I406 PolarHBondContact O-N 2.95Å; I406-R408 VanDerWaalsContact C-N 3.32Å; I406-R408 PolarHBondContact O-N 2.9Å
407	H	79.6	Confident	77.4	Confident	43 Å²	43	74.8 Å²	74.8	20%	0.199	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	6.9	-176.4	-59.8	-66.3	0	0	0	114.2	V398 C405 L410 I422 E425	V398-H407 WeakPolarHBondContact CB-O 3.3Å; C405-H407 VanDerWaalsContact C-N 3.26Å; C405-H407 PolarHBondContact O-N 2.88Å; H407-L410 VanDerWaalsContact O-CB 3.28Å; H407-L410 WeakPolarHBondContact O-CB 3.33Å; H407-L410 PolarHBondContact O-N 3.5Å; H407-I422 HydrophobicContact CB-CG1 4.45Å; H407-I422 HydrophobicContact CB-CG2 3.75Å; H407-E425 IonicContact CD2-OE2 3.77Å; H407-E425 IonicContact CE1-OE2 2.8Å; H407-E425 IonicContact NE2-OE2 3.71Å; H407-E425 PolarHBondContact NE2-OE2 2.68Å
408	R	76.1	Confident	77	Confident	115 Å²	115	78.5 Å²	78.5	43%	0.434	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	138.2	-178.6	-171.1	-178	-176.2	-169.4	14	111.3	D403 C405 I406 L410	D403-R408 IonicContact OD1-CZ 3.66Å; D403-R408 IonicContact OD1-NH1 2.69Å; D403-R408 PolarHBondContact OD1-NH1 3.44Å; D403-R408 IonicContact OD1-NH2 3.86Å; D403-R408 PolarHBondContact OD1-NH2 3.41Å; C405-R408 WeakPolarHBondContact O-CB 3.39Å; C405-R408 PolarHBondContact O-N 3.24Å; I406-R408 VanDerWaalsContact C-N 3.32Å; I406-R408 PolarHBondContact O-N 2.9Å; R408-L410 PolarHBondContact O-N 3.06Å
409	N	76.8	Confident	76.8	Confident	100 Å²	100	86.3 Å²	86.3	54%	0.535	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	7	-178.2	-65.6	-43.3	0	0	0	115.9	V398	V398-N409 PolarHBondContact O-N 2.64Å
410	L	83.4	Confident	76.9	Confident	92 Å²	92	85.6 Å²	85.6	48%	0.482	44%	0.442	S	S	.	.			trans	-70.9	144.2	171.7	-153.5	88.6	0	0	0	110.3	K397 V398 H407 R408	K397-L410 VanDerWaalsContact CA-O 3.3Å; K397-L410 WeakPolarHBondContact CA-O 3.47Å; V398-L410 HydrophobicContact CG2-CB 4.49Å; V398-L410 PolarHBondContact N-O 3.2Å; H407-L410 VanDerWaalsContact O-CB 3.28Å; H407-L410 WeakPolarHBondContact O-CB 3.33Å; H407-L410 PolarHBondContact O-N 3.5Å; R408-L410 PolarHBondContact O-N 3.06Å
411	T	84.8	Confident	77.2	Confident	81 Å²	81	90.1 Å²	90.1	50%	0.497	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134.7	175.1	-50.2	0	0	0	0	110.1	I395 Y396	I395-T411 HydrophobicContact CG2-CG2 4.1Å; Y396-T411 WeakPolarHBondContact O-CA 3.37Å
412	C	84.1	Confident	77.8	Confident	19 Å²	19	87.8 Å²	87.8	13%	0.128	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	164.7	-179.3	58.6	0	0	0	0	110.9	Y396 V398 F417 C431	Y396-C412 WeakPolarHBondContact CB-O 3.3Å; Y396-C412 PolarHBondContact O-N 3Å; V398-C412 HydrophobicContact CG2-CB 3.72Å; C412-F417 HydrophobicContact CB-CD2 4.12Å; C412-C431 HydrophobicContact CB-CB 3.89Å; C412-C431 WeakPolarHBondContact CB-SG 3.34Å; C412-C431 WeakPolarHBondContact SG-CA 3.33Å; C412-C431 WeakPolarHBondContact SG-CB 3.31Å; C412-C431 CovalentContact SG-SG 2.02Å; C412-C431 PolarHBondContact SG-SG 3.32Å
413	S	83.8	Confident	78	Confident	55 Å²	55	85.7 Å²	85.7	39%	0.385	44%	0.443	S	S	.	.			trans	-115	124.2	172.2	173.7	0	0	0	0	108.8	K415 T416 F417	S413-K415 PolarHBondContact O-N 3.04Å; S413-K415 VanDerWaalsContact O-N 3.13Å; S413-T416 WeakPolarHBondContact CB-OG1 3.48Å; S413-T416 PolarHBondContact O-N 3.33Å; S413-T416 VanDerWaalsContact O-N 3.15Å; S413-T416 PolarHBondContact O-OG1 2.94Å; S413-F417 WeakPolarHBondContact O-CB 3.5Å; S413-F417 PolarHBondContact O-N 3.49Å
414	P	80.9	Confident	78.4	Confident	38 Å²	38	88.2 Å²	88.2	25%	0.247	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.7	-177.7	-27.2	33.8	0	0	0	113.5	Y396 T416	Y396-P414 HydrophobicContact CD1-CG 3.39Å; Y396-P414 HydrophobicContact CD2-CG 4.01Å; Y396-P414 HydrophobicContact CE1-CG 3.59Å; Y396-P414 HydrophobicContact CE2-CG 4.18Å; Y396-P414 HydrophobicContact CG-CG 3.65Å; P414-T416 PolarHBondContact O-N 3.17Å
415	K	79.8	Confident	78.9	Confident	191 Å²	191	85.2 Å²	85.2	83%	0.83	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.5	-176.9	-65.6	-174.6	178.3	-177.2	0	114.1	S413	S413-K415 PolarHBondContact O-N 3.04Å; S413-K415 VanDerWaalsContact O-N 3.13Å
416	T	82	Confident	79	Confident	69 Å²	69	85.1 Å²	85.1	42%	0.423	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-6.5	-174.9	57.4	0	0	0	0	112.3	S413 P414 D418 Q419 T420	S413-T416 WeakPolarHBondContact CB-OG1 3.48Å; S413-T416 PolarHBondContact O-N 3.33Å; S413-T416 VanDerWaalsContact O-N 3.15Å; S413-T416 PolarHBondContact O-OG1 2.94Å; P414-T416 PolarHBondContact O-N 3.17Å; T416-D418 PolarHBondContact O-N 3.4Å; T416-Q419 PolarHBondContact O-N 3.32Å; T416-Q419 VanDerWaalsContact O-N 3.15Å; T416-T420 WeakPolarHBondContact O-CG2 2.98Å
417	F	81.4	Confident	78.6	Confident	14 Å²	14	81.2 Å²	81.2	6%	0.061	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-59	-44.8	-173.4	-177.3	-104.2	0	0	0	112.6	V398 C412 S413 Q419 T420 I422 A423 A429 C431	V398-F417 HydrophobicContact CG1-CE2 4.23Å; V398-F417 HydrophobicContact CG1-CZ 4.44Å; V398-F417 HydrophobicContact CG2-CE2 3.87Å; C412-F417 HydrophobicContact CB-CD2 4.12Å; S413-F417 WeakPolarHBondContact O-CB 3.5Å; S413-F417 PolarHBondContact O-N 3.49Å; F417-Q419 PolarHBondContact O-N 2.86Å; F417-Q419 VanDerWaalsContact O-N 3.11Å; F417-T420 PolarHBondContact O-N 2.91Å; F417-T420 PolarHBondContact O-OG1 3.41Å; F417-I422 HydrophobicContact CE2-CB 4.35Å; F417-I422 HydrophobicContact CE2-CG2 3.92Å; F417-I422 HydrophobicContact CZ-CG2 4.34Å; F417-A423 HydrophobicContact CE1-CB 4.41Å; F417-A429 WeakPolarHBondContact CE1-O 3.34Å; F417-A429 HydrophobicContact CZ-CB 4.13Å; F417-A429 WeakPolarHBondContact CZ-O 3.43Å; F417-C431 HydrophobicContact CB-CB 3.85Å; F417-C431 HydrophobicContact CD1-CB 4.06Å; F417-C431 HydrophobicContact CD2-CB 3.64Å; F417-C431 HydrophobicContact CE2-CB 4.18Å; F417-C431 HydrophobicContact CG-CB 3.56Å
418	D	74.6	Confident	78.2	Confident	134 Å²	134	79.8 Å²	79.8	72%	0.717	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-64.3	-19.3	-178.8	-59.3	-27.4	0	0	0	113.6	T416	T416-D418 PolarHBondContact O-N 3.4Å
419	Q	76.6	Confident	78.2	Confident	164 Å²	164	74.8 Å²	74.8	77%	0.766	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-91.3	-10.9	178.8	-62.1	176.9	-6.3	0	0	112.7	T416 F417	T416-Q419 PolarHBondContact O-N 3.32Å; T416-Q419 VanDerWaalsContact O-N 3.15Å; F417-Q419 PolarHBondContact O-N 2.86Å; F417-Q419 VanDerWaalsContact O-N 3.11Å
420	T	79	Confident	78.2	Confident	45 Å²	45	71.7 Å²	71.7	28%	0.276	38%	0.384	S	S	.	.	S	Bend	trans	-84.8	152.7	-177.5	62.7	0	0	0	0	112.1	T416 F417 I422 A423	T416-T420 WeakPolarHBondContact O-CG2 2.98Å; F417-T420 PolarHBondContact O-N 2.91Å; F417-T420 PolarHBondContact O-OG1 3.41Å; T420-I422 PolarHBondContact O-N 2.72Å; T420-I422 VanDerWaalsContact O-N 3.14Å; T420-A423 PolarHBondContact O-N 3.05Å
421	N	78.1	Confident	78.1	Confident	102 Å²	102	67.8 Å²	67.8	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.7	174.7	-69.2	-16.4	0	0	0	113	A423 K424 E425	N421-A423 VanDerWaalsContact C-N 3.32Å; N421-A423 PolarHBondContact O-N 3.42Å; N421-K424 WeakPolarHBondContact O-CB 3.32Å; N421-K424 PolarHBondContact O-N 2.97Å; N421-E425 PolarHBondContact O-N 3.27Å
422	I	77	Confident	77.8	Confident	25 Å²	25	64.7 Å²	64.7	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-59.6	-41.9	179.5	-59.2	170.8	0	0	0	111.2	V398 H407 F417 T420 K424 E425 C426	V398-I422 HydrophobicContact CG1-CG2 4.09Å; V398-I422 HydrophobicContact CG2-CG2 4.44Å; H407-I422 HydrophobicContact CB-CG1 4.45Å; H407-I422 HydrophobicContact CB-CG2 3.75Å; F417-I422 HydrophobicContact CE2-CB 4.35Å; F417-I422 HydrophobicContact CE2-CG2 3.92Å; F417-I422 HydrophobicContact CZ-CG2 4.34Å; T420-I422 PolarHBondContact O-N 2.72Å; T420-I422 VanDerWaalsContact O-N 3.14Å; I422-K424 PolarHBondContact O-N 3.07Å; I422-E425 PolarHBondContact O-N 3.04Å; I422-C426 PolarHBondContact O-N 3Å
423	A	69.4	Low	77.6	Confident	38 Å²	38	64.3 Å²	64.3	31%	0.314	34%	0.341	S	S	.	.	H	α-helix	trans	-67.7	-23.3	178.1	0	0	0	0	0	112.9	F417 T420 N421	F417-A423 HydrophobicContact CE1-CB 4.41Å; T420-A423 PolarHBondContact O-N 3.05Å; N421-A423 VanDerWaalsContact C-N 3.32Å; N421-A423 PolarHBondContact O-N 3.42Å
424	K	73.9	Confident	77.1	Confident	174 Å²	174	62.6 Å²	62.6	76%	0.757	33%	0.33	S	S	*	.	H	α-helix	trans	-87.5	-36.9	177.5	-64.2	179.1	-179.2	173.3	0	112.2	N421 I422	N421-K424 WeakPolarHBondContact O-CB 3.32Å; N421-K424 PolarHBondContact O-N 2.97Å; I422-K424 PolarHBondContact O-N 3.07Å
425	E	79.7	Confident	76.8	Confident	120 Å²	120	64.9 Å²	64.9	56%	0.561	34%	0.336	S	S	*	.	H	α-helix	trans	-79.1	-31.2	-179.9	-73.5	174.4	-167.8	0	0	112.9	H407 N421 I422	H407-E425 IonicContact CD2-OE2 3.77Å; H407-E425 IonicContact CE1-OE2 2.8Å; H407-E425 IonicContact NE2-OE2 3.71Å; H407-E425 PolarHBondContact NE2-OE2 2.68Å; N421-E425 PolarHBondContact O-N 3.27Å; I422-E425 PolarHBondContact O-N 3.04Å
426	C	77.8	Confident	76.7	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.068	31%	0.307	C	S	.	.	S	Bend	trans	-120.7	93.3	175.2	-64.1	0	0	0	0	110.1	C405 I422 G428 A429	C405-C426 HydrophobicContact CB-CB 3.97Å; C405-C426 WeakPolarHBondContact CB-SG 3.26Å; C405-C426 WeakPolarHBondContact SG-CB 3.49Å; C405-C426 CovalentContact SG-SG 2.04Å; C405-C426 PolarHBondContact SG-SG 3.01Å; I422-C426 PolarHBondContact O-N 3Å; C426-G428 PolarHBondContact O-N 2.84Å; C426-A429 HydrophobicContact CB-CB 3.73Å; C426-A429 VanDerWaalsContact O-CB 3.27Å; C426-A429 WeakPolarHBondContact O-CB 3.38Å; C426-A429 PolarHBondContact O-N 3.28Å; C426-A429 VanDerWaalsContact O-N 3.09Å
427	P	71.5	Confident	76.4	Confident	76 Å²	76	55.8 Å²	55.8	49%	0.494	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	124.6	178.5	24.8	-32.2	0	0	0	110.7
428	G	70.6	Confident	76.1	Confident	14 Å²	14	56.2 Å²	56.2	14%	0.144	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	5.7	-176	0	0	0	0	0	114.9	D158 P401 C426	D158-G428 WeakPolarHBondContact OD1-CA 3.43Å; P401-G428 VanDerWaalsContact CD-O 3.31Å; P401-G428 WeakPolarHBondContact CD-O 3.45Å; C426-G428 PolarHBondContact O-N 2.84Å
429	A	77.3	Confident	76.1	Confident	10 Å²	10	57.8 Å²	57.8	8%	0.083	30%	0.304	C	S	.	.			trans	-68.9	140.4	171.2	0	0	0	0	0	111.4	V398 T399 F417 C426	V398-A429 HydrophobicContact CG1-CB 3.92Å; T399-A429 CarbonylContact O-C 3.56Å; T399-A429 WeakPolarHBondContact O-CA 3.4Å; F417-A429 WeakPolarHBondContact CE1-O 3.34Å; F417-A429 HydrophobicContact CZ-CB 4.13Å; F417-A429 WeakPolarHBondContact CZ-O 3.43Å; C426-A429 HydrophobicContact CB-CB 3.73Å; C426-A429 VanDerWaalsContact O-CB 3.27Å; C426-A429 WeakPolarHBondContact O-CB 3.38Å; C426-A429 PolarHBondContact O-N 3.28Å; C426-A429 VanDerWaalsContact O-N 3.09Å
430	Q	76.8	Confident	76.3	Confident	35 Å²	35	53.6 Å²	53.6	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.7	-178.5	-59.4	-164.3	-25.2	0	0	111.9	K142 D158 V398 T399 M432	K142-Q430 VanDerWaalsContact NZ-CD 3.28Å; D158-Q430 PolarHBondContact O-NE2 3.1Å; V398-Q430 CarbonylContact C-O 3.47Å; V398-Q430 WeakPolarHBondContact CA-O 3.33Å; T399-Q430 PolarHBondContact N-O 3.17Å; T399-Q430 PolarHBondContact O-N 3.49Å; Q430-M432 HydrophobicContact CB-CG 3.92Å; Q430-M432 HydrophobicContact CB-SD 4.3Å; Q430-M432 PolarHBondContact O-N 2.95Å
431	C	82.1	Confident	76.4	Confident	10 Å²	10	57.8 Å²	57.8	7%	0.068	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	100.3	171.1	-170.6	0	0	0	0	110.3	Y396 C412 F417	Y396-C431 VanDerWaalsContact CB-SG 3.52Å; C412-C431 HydrophobicContact CB-CB 3.89Å; C412-C431 WeakPolarHBondContact CB-SG 3.34Å; C412-C431 WeakPolarHBondContact SG-CA 3.33Å; C412-C431 WeakPolarHBondContact SG-CB 3.31Å; C412-C431 CovalentContact SG-SG 2.02Å; C412-C431 PolarHBondContact SG-SG 3.32Å; F417-C431 HydrophobicContact CB-CB 3.85Å; F417-C431 HydrophobicContact CD1-CB 4.06Å; F417-C431 HydrophobicContact CD2-CB 3.64Å; F417-C431 HydrophobicContact CE2-CB 4.18Å; F417-C431 HydrophobicContact CG-CB 3.56Å
432	M	77.1	Confident	76.6	Confident	15 Å²	15	54.8 Å²	54.8	7%	0.074	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146.3	-174.5	-62.3	-67.6	-99.7	0	0	110.4	S71 T111 Y396 K397 Q430 A434	S71-M432 WeakPolarHBondContact OG-CE 3.38Å; T111-M432 HydrophobicContact CG2-CE 4Å; T111-M432 WeakPolarHBondContact OG1-CE 3.24Å; Y396-M432 CarbonylContact C-O 3.57Å; Y396-M432 VanDerWaalsContact CA-O 3.22Å; Y396-M432 WeakPolarHBondContact CA-O 3.33Å; K397-M432 PolarHBondContact N-O 3.35Å; K397-M432 PolarHBondContact O-N 2.99Å; Q430-M432 HydrophobicContact CB-CG 3.92Å; Q430-M432 HydrophobicContact CB-SD 4.3Å; Q430-M432 PolarHBondContact O-N 2.95Å; M432-A434 PolarHBondContact O-N 2.91Å
433	F	79.7	Confident	76.8	Confident	12 Å²	12	54.5 Å²	54.5	5%	0.053	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	133.1	170.6	173.9	-112.2	0	0	0	109.1	T69 S71 Q107 A394 Y396 F435 Y436	T69-F433 HydrophobicContact CG2-CD1 4.35Å; T69-F433 HydrophobicContact CG2-CE1 4.42Å; S71-F433 WeakPolarHBondContact O-CB 3.17Å; S71-F433 PolarHBondContact O-N 3.39Å; Q107-F433 VanDerWaalsContact NE2-C 3.31Å; Q107-F433 PolarHBondContact NE2-O 3.02Å; A394-F433 HydrophobicContact CB-CD2 3.91Å; A394-F433 HydrophobicContact CB-CE2 3.76Å; Y396-F433 VanDerWaalsContact CD1-CA 3.48Å; Y396-F433 HydrophobicContact CD1-CB 3.92Å; Y396-F433 HydrophobicContact CE1-CB 3.83Å; Y396-F433 HydrophobicContact CE1-CD2 4.4Å; F433-F435 VanDerWaalsContact CE2-C 3.5Å; F433-F435 WeakPolarHBondContact CE2-O 3.44Å; F433-Y436 HydrophobicContact CE1-CE2 4.15Å; F433-Y436 HydrophobicContact CE2-CD1 4.19Å; F433-Y436 HydrophobicContact CE2-CD2 4.42Å; F433-Y436 HydrophobicContact CE2-CE1 4.08Å; F433-Y436 HydrophobicContact CE2-CE2 4.32Å; F433-Y436 HydrophobicContact CE2-CG 4.35Å; F433-Y436 HydrophobicContact CZ-CD1 4.21Å; F433-Y436 AromaticContact CZ-CD2 3.66Å; F433-Y436 HydrophobicContact CZ-CD2 3.66Å; F433-Y436 HydrophobicContact CZ-CE1 4.07Å; F433-Y436 AromaticContact CZ-CE2 3.49Å; F433-Y436 HydrophobicContact CZ-CE2 3.49Å; F433-Y436 VanDerWaalsContact CZ-CE2 3.49Å; F433-Y436 HydrophobicContact CZ-CG 4.01Å; F433-Y436 AromaticContact CZ-CZ 3.71Å
434	A	74.8	Confident	77.5	Confident	18 Å²	18	58 Å²	58	15%	0.149	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-52.2	-175.5	0	0	0	0	0	112.4	Q107 I395 K397 M432	Q107-A434 PolarHBondContact NE2-O 3.39Å; Q107-A434 PolarHBondContact OE1-O 2.98Å; I395-A434 WeakPolarHBondContact O-CB 3.41Å; I395-A434 PolarHBondContact O-N 2.8Å; K397-A434 HydrophobicContact CB-CB 3.98Å; K397-A434 HydrophobicContact CD-CB 4Å; K397-A434 HydrophobicContact CG-CB 3.77Å; M432-A434 PolarHBondContact O-N 2.91Å
435	F	74.3	Confident	78.2	Confident	86 Å²	86	56.1 Å²	56.1	38%	0.377	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	167.8	175.2	57.4	-86.7	0	0	0	110.4	I395 F433	I395-F435 PolarHBondContact N-O 3.21Å; I395-F435 PolarHBondContact O-N 2.8Å; F433-F435 VanDerWaalsContact CE2-C 3.5Å; F433-F435 WeakPolarHBondContact CE2-O 3.44Å
436	Y	76.9	Confident	78.6	Confident	58 Å²	58	51.9 Å²	51.9	23%	0.227	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.4	169.2	-65	-76.1	0	0	0	109.9	K64 T69 F75 N393 A394 F433	K64-Y436 HydrophobicContact CB-CD2 4.21Å; K64-Y436 HydrophobicContact CB-CE2 4Å; K64-Y436 HydrophobicContact CD-CD1 3.73Å; K64-Y436 HydrophobicContact CD-CD2 4.19Å; K64-Y436 HydrophobicContact CD-CE1 3.88Å; K64-Y436 HydrophobicContact CD-CE2 4.34Å; K64-Y436 HydrophobicContact CD-CG 3.9Å; K64-Y436 HydrophobicContact CG-CD1 4.25Å; K64-Y436 HydrophobicContact CG-CD2 4.25Å; K64-Y436 HydrophobicContact CG-CE1 3.93Å; K64-Y436 HydrophobicContact CG-CE2 3.94Å; K64-Y436 HydrophobicContact CG-CG 4.4Å; T69-Y436 WeakPolarHBondContact CG2-OH 3.24Å; T69-Y436 PolarHBondContact OG1-OH 3.13Å; F75-Y436 WeakPolarHBondContact CE1-OH 3.47Å; N393-Y436 CarbonylContact O-C 3.57Å; N393-Y436 WeakPolarHBondContact O-CA 3.33Å; A394-Y436 HydrophobicContact CB-CD1 4.32Å; A394-Y436 HydrophobicContact CB-CE1 4.13Å; F433-Y436 HydrophobicContact CE1-CE2 4.15Å; F433-Y436 HydrophobicContact CE2-CD1 4.19Å; F433-Y436 HydrophobicContact CE2-CD2 4.42Å; F433-Y436 HydrophobicContact CE2-CE1 4.08Å; F433-Y436 HydrophobicContact CE2-CE2 4.32Å; F433-Y436 HydrophobicContact CE2-CG 4.35Å; F433-Y436 HydrophobicContact CZ-CD1 4.21Å; F433-Y436 AromaticContact CZ-CD2 3.66Å; F433-Y436 HydrophobicContact CZ-CD2 3.66Å; F433-Y436 HydrophobicContact CZ-CE1 4.07Å; F433-Y436 AromaticContact CZ-CE2 3.49Å; F433-Y436 HydrophobicContact CZ-CE2 3.49Å; F433-Y436 VanDerWaalsContact CZ-CE2 3.49Å; F433-Y436 HydrophobicContact CZ-CG 4.01Å; F433-Y436 AromaticContact CZ-CZ 3.71Å
437	G	75.1	Confident	79	Confident	12 Å²	12	56.8 Å²	56.8	12%	0.124	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	-178.9	-178.7	0	0	0	0	0	112.2	N393	N393-G437 CarbonylContact C-O 3.3Å; N393-G437 WeakPolarHBondContact CA-O 3.24Å; N393-G437 PolarHBondContact N-O 3.46Å; N393-G437 PolarHBondContact O-N 2.94Å
438	G	75.2	Confident	80	Confident	23 Å²	23	57.6 Å²	57.6	24%	0.237	30%	0.301	C	S	.	.			trans	-164.1	153.2	176.1	0	0	0	0	0	111.7	H443	G438-H443 WeakPolarHBondContact O-CB 3.35Å
439	E	74.7	Confident	81.1	Confident	166 Å²	166	58.5 Å²	58.5	78%	0.776	30%	0.303	S	S	*	.			trans	-97.4	-5.8	-179	-63.6	-176.7	171	0	0	112.9
440	T	80.7	Confident	81.8	Confident	76 Å²	76	60.9 Å²	60.9	47%	0.466	31%	0.312	S	S	.	.	S	Bend	trans	-63.5	155.9	177.5	67.2	0	0	0	0	110.7	Y442 H443 N444	T440-Y442 PolarHBondContact O-N 3.4Å; T440-Y442 VanDerWaalsContact O-N 3.13Å; T440-H443 PolarHBondContact O-N 2.67Å; T440-H443 PolarHBondContact OG1-N 3.15Å; T440-H443 PolarHBondContact OG1-ND1 3.48Å; T440-N444 PolarHBondContact O-N 3Å
441	I	81.4	Confident	82.6	Confident	134 Å²	134	62.5 Å²	62.5	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-46.5	-47.1	174.8	-58.3	176.8	0	0	0	111.6	H443 N444 Y445	I441-H443 PolarHBondContact O-N 3.22Å; I441-N444 PolarHBondContact O-N 2.72Å; I441-Y445 HydrophobicContact CG2-CD2 3.85Å; I441-Y445 HydrophobicContact CG2-CE2 3.73Å; I441-Y445 WeakPolarHBondContact O-CD2 3.29Å; I441-Y445 PolarHBondContact O-N 3.1Å
442	Y	82.9	Confident	83.2	Confident	38 Å²	38	64.5 Å²	64.5	15%	0.149	34%	0.338	C	S	.	.	H	α-helix	trans	-54.3	-46.6	178.5	171.2	-92.3	0	0	0	113.4	V55 H59 L388 S391 T440 N444 Y445 I446 L449	V55-Y442 HydrophobicContact CG1-CD2 3.9Å; V55-Y442 HydrophobicContact CG1-CE2 3.63Å; H59-Y442 HydrophobicContact CB-CE1 4.2Å; L388-Y442 HydrophobicContact CD1-CE2 4.38Å; L388-Y442 WeakPolarHBondContact CD1-OH 3.4Å; S391-Y442 WeakPolarHBondContact OG-CE1 3.46Å; S391-Y442 PolarHBondContact OG-OH 3.24Å; T440-Y442 PolarHBondContact O-N 3.4Å; T440-Y442 VanDerWaalsContact O-N 3.13Å; Y442-N444 PolarHBondContact O-N 2.99Å; Y442-Y445 PolarHBondContact O-N 3.37Å; Y442-I446 HydrophobicContact CE1-CG1 4.4Å; Y442-I446 PolarHBondContact O-N 3.5Å; Y442-L449 HydrophobicContact CD2-CD1 3.83Å; Y442-L449 HydrophobicContact CE2-CD1 3.59Å
443	H	81.5	Confident	84.1	Confident	19 Å²	19	64.1 Å²	64.1	9%	0.088	34%	0.336	C	S	.	.	H	α-helix	trans	-69.6	-33.1	-176.5	-70.2	82.4	0	0	0	112.2	G392 G438 T440 I441 Y445 I446	G392-H443 VanDerWaalsContact CA-NE2 3.26Å; G392-H443 WeakPolarHBondContact CA-NE2 3.22Å; G392-H443 PolarHBondContact N-NE2 3.37Å; G438-H443 WeakPolarHBondContact O-CB 3.35Å; T440-H443 PolarHBondContact O-N 2.67Å; T440-H443 PolarHBondContact OG1-N 3.15Å; T440-H443 PolarHBondContact OG1-ND1 3.48Å; I441-H443 PolarHBondContact O-N 3.22Å; H443-Y445 PolarHBondContact O-N 2.99Å; H443-I446 HydrophobicContact CB-CD1 4.21Å; H443-I446 WeakPolarHBondContact O-CG1 3.43Å; H443-I446 PolarHBondContact O-N 3.34Å
444	N	84.4	Confident	84.9	Confident	113 Å²	113	66.3 Å²	66.3	60%	0.604	35%	0.348	S	S	*	.	H	α-helix	trans	-66.4	-26	174.9	-67.5	-23.7	0	0	0	112.8	T440 I441 Y442	T440-N444 PolarHBondContact O-N 3Å; I441-N444 PolarHBondContact O-N 2.72Å; Y442-N444 PolarHBondContact O-N 2.99Å
445	Y	88.2	Confident	85.9	Confident	134 Å²	134	68 Å²	68	53%	0.525	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	9	-179	-68.5	-72.2	0	0	0	114.5	I441 Y442 H443 V447 L448 L449	I441-Y445 HydrophobicContact CG2-CD2 3.85Å; I441-Y445 HydrophobicContact CG2-CE2 3.73Å; I441-Y445 WeakPolarHBondContact O-CD2 3.29Å; I441-Y445 PolarHBondContact O-N 3.1Å; Y442-Y445 PolarHBondContact O-N 3.37Å; H443-Y445 PolarHBondContact O-N 2.99Å; Y445-V447 VanDerWaalsContact C-N 3.26Å; Y445-V447 PolarHBondContact O-N 3.44Å; Y445-V447 VanDerWaalsContact O-N 3.16Å; Y445-L448 HydrophobicContact CD1-CB 4.43Å; Y445-L448 HydrophobicContact CD1-CD2 3.88Å; Y445-L448 WeakPolarHBondContact O-CA 3.35Å; Y445-L448 WeakPolarHBondContact O-CB 3.35Å; Y445-L448 PolarHBondContact O-N 3.34Å; Y445-L449 WeakPolarHBondContact O-CG 3.4Å; Y445-L449 PolarHBondContact O-N 3.39Å
446	I	87.4	Confident	87	Confident	31 Å²	31	64.6 Å²	64.6	16%	0.159	34%	0.338	C	S	.	.	H	α-helix	trans	-51.5	-43.4	-178.9	-77.2	168.9	0	0	0	112.6	L388 S391 Y442 H443 L448 L449 H450	L388-I446 HydrophobicContact CD1-CG1 4.22Å; L388-I446 HydrophobicContact CD1-CG2 4.43Å; L388-I446 HydrophobicContact CG-CG2 4.28Å; S391-I446 VanDerWaalsContact OG-CD1 3.25Å; S391-I446 WeakPolarHBondContact OG-CD1 3.45Å; Y442-I446 HydrophobicContact CE1-CG1 4.4Å; Y442-I446 PolarHBondContact O-N 3.5Å; H443-I446 HydrophobicContact CB-CD1 4.21Å; H443-I446 WeakPolarHBondContact O-CG1 3.43Å; H443-I446 PolarHBondContact O-N 3.34Å; I446-L448 PolarHBondContact O-N 2.97Å; I446-L449 PolarHBondContact O-N 3.31Å; I446-H450 PolarHBondContact O-CD2 3.1Å; I446-H450 VanDerWaalsContact O-CD2 3.22Å; I446-H450 PolarHBondContact O-N 2.9Å
447	V	87.6	Confident	88	Confident	113 Å²	113	64 Å²	64	69%	0.685	34%	0.337	S	S	*	.	H	α-helix	trans	-62.4	-43.4	178.3	178.6	0	0	0	0	111.3	Y445 L449 H450 V451	Y445-V447 VanDerWaalsContact C-N 3.26Å; Y445-V447 PolarHBondContact O-N 3.44Å; Y445-V447 VanDerWaalsContact O-N 3.16Å; V447-L449 VanDerWaalsContact C-N 3.34Å; V447-H450 PolarHBondContact O-N 3.32Å; V447-V451 WeakPolarHBondContact O-CG2 3.32Å; V447-V451 PolarHBondContact O-N 3.38Å; V447-V451 VanDerWaalsContact O-N 3.1Å
448	L	91.4	Very high	89.1	Confident	93 Å²	93	64.4 Å²	64.4	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176	177.7	62.6	0	0	0	110.7	Y445 I446 H450 V451 C452	Y445-L448 HydrophobicContact CD1-CB 4.43Å; Y445-L448 HydrophobicContact CD1-CD2 3.88Å; Y445-L448 WeakPolarHBondContact O-CA 3.35Å; Y445-L448 WeakPolarHBondContact O-CB 3.35Å; Y445-L448 PolarHBondContact O-N 3.34Å; I446-L448 PolarHBondContact O-N 2.97Å; L448-H450 VanDerWaalsContact C-N 3.3Å; L448-H450 PolarHBondContact O-N 3.13Å; L448-V451 PolarHBondContact O-N 3.2Å; L448-V451 VanDerWaalsContact O-N 3.13Å; L448-C452 PolarHBondContact O-N 3.46Å; L448-C452 PolarHBondContact O-SG 3.47Å
449	L	93.3	Very high	90.2	Very high	33 Å²	33	63.8 Å²	63.8	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-36.4	177.2	-65	-179.9	0	0	0	112.2	L52 L388 Y442 Y445 I446 V447 C452 N453	L52-L449 HydrophobicContact CD1-CB 4.34Å; L52-L449 HydrophobicContact CD1-CD1 4.07Å; L52-L449 HydrophobicContact CD1-CD2 3.72Å; L52-L449 HydrophobicContact CD1-CG 4.25Å; L388-L449 HydrophobicContact CD1-CB 3.99Å; L388-L449 HydrophobicContact CD1-CD1 3.92Å; L388-L449 HydrophobicContact CD2-CB 3.57Å; L388-L449 HydrophobicContact CG-CB 4.42Å; Y442-L449 HydrophobicContact CD2-CD1 3.83Å; Y442-L449 HydrophobicContact CE2-CD1 3.59Å; Y445-L449 WeakPolarHBondContact O-CG 3.4Å; Y445-L449 PolarHBondContact O-N 3.39Å; I446-L449 PolarHBondContact O-N 3.31Å; V447-L449 VanDerWaalsContact C-N 3.34Å; L449-C452 PolarHBondContact O-N 2.93Å; L449-N453 WeakPolarHBondContact O-CB 3.3Å; L449-N453 PolarHBondContact O-N 3.23Å
450	H	92.9	Very high	91.3	Very high	59 Å²	59	57.2 Å²	57.2	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-41.9	172.8	-83.6	-70	0	0	0	112	A385 L388 I446 V447 L448 N453 L454	A385-H450 PolarHBondContact O-CE1 3.42Å; L388-H450 HydrophobicContact CD2-CB 4.21Å; I446-H450 PolarHBondContact O-CD2 3.1Å; I446-H450 VanDerWaalsContact O-CD2 3.22Å; I446-H450 PolarHBondContact O-N 2.9Å; V447-H450 PolarHBondContact O-N 3.32Å; L448-H450 VanDerWaalsContact C-N 3.3Å; L448-H450 PolarHBondContact O-N 3.13Å; H450-N453 PolarHBondContact O-N 3.26Å; H450-L454 PolarHBondContact O-N 3.27Å
451	V	92.9	Very high	92	Very high	69 Å²	69	55 Å²	55	42%	0.418	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-43	175.8	174.5	0	0	0	0	110.7	V447 L448 L454 F455	V447-V451 WeakPolarHBondContact O-CG2 3.32Å; V447-V451 PolarHBondContact O-N 3.38Å; V447-V451 VanDerWaalsContact O-N 3.1Å; L448-V451 PolarHBondContact O-N 3.2Å; L448-V451 VanDerWaalsContact O-N 3.13Å; V451-L454 PolarHBondContact O-N 3.36Å; V451-F455 WeakPolarHBondContact O-CB 3.46Å; V451-F455 PolarHBondContact O-N 3.16Å
452	C	94.9	Very high	92.8	Very high	53 Å²	53	49.1 Å²	49.1	36%	0.358	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-45.5	174.1	-69.9	0	0	0	0	111.8	L448 L449 L454 F455 V456	L448-C452 PolarHBondContact O-N 3.46Å; L448-C452 PolarHBondContact O-SG 3.47Å; L449-C452 PolarHBondContact O-N 2.93Å; C452-L454 VanDerWaalsContact C-N 3.33Å; C452-L454 PolarHBondContact O-N 2.96Å; C452-F455 PolarHBondContact O-N 3.27Å; C452-V456 WeakPolarHBondContact O-CG2 3.27Å; C452-V456 PolarHBondContact O-N 2.97Å
453	N	96.1	Very high	93.6	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-57.1	-46.2	175.8	177.8	64.8	0	0	0	111.5	Y49 S381 L449 H450 F457	Y49-N453 HydrophobicContact CE2-CB 4.35Å; Y49-N453 WeakPolarHBondContact CE2-OD1 3.21Å; Y49-N453 VanDerWaalsContact CZ-OD1 3.3Å; Y49-N453 PolarHBondContact OH-OD1 3.26Å; S381-N453 PolarHBondContact O-ND2 2.85Å; S381-N453 PolarHBondContact OG-ND2 3.35Å; L449-N453 WeakPolarHBondContact O-CB 3.3Å; L449-N453 PolarHBondContact O-N 3.23Å; H450-N453 PolarHBondContact O-N 3.26Å; N453-F457 WeakPolarHBondContact O-CB 3.43Å; N453-F457 PolarHBondContact O-N 2.69Å
454	L	95.8	Very high	94.3	Very high	57 Å²	57	47.8 Å²	47.8	30%	0.298	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-44.3	177.1	179.6	61.1	0	0	0	112.1	H450 V451 C452 F457 L458 M521 I524	H450-L454 PolarHBondContact O-N 3.27Å; V451-L454 PolarHBondContact O-N 3.36Å; C452-L454 VanDerWaalsContact C-N 3.33Å; C452-L454 PolarHBondContact O-N 2.96Å; L454-F457 HydrophobicContact CD1-CD1 4.27Å; L454-F457 WeakPolarHBondContact O-CB 3.48Å; L454-F457 PolarHBondContact O-N 2.98Å; L454-L458 HydrophobicContact CD1-CG 4.44Å; L454-L458 HydrophobicContact CG-CD1 4.42Å; L454-L458 WeakPolarHBondContact O-CG 3.3Å; L454-L458 PolarHBondContact O-N 3.26Å; L454-M521 HydrophobicContact CD2-CE 4.03Å; L454-M521 HydrophobicContact CD2-SD 4.19Å; L454-M521 HydrophobicContact CG-SD 4.32Å; L454-I524 HydrophobicContact CD2-CG2 4.35Å
455	F	97.2	Very high	94.9	Very high	53 Å²	53	45.8 Å²	45.8	23%	0.232	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-48.4	179.7	178.3	-101.8	0	0	0	112.2	V451 C452 F457 L458 W459 L514 M518 M521	V451-F455 WeakPolarHBondContact O-CB 3.46Å; V451-F455 PolarHBondContact O-N 3.16Å; C452-F455 PolarHBondContact O-N 3.27Å; F455-F457 VanDerWaalsContact C-N 3.32Å; F455-F457 PolarHBondContact O-N 3.46Å; F455-L458 PolarHBondContact O-N 2.98Å; F455-W459 HydrophobicContact CE1-CE3 4.28Å; F455-W459 PolarHBondContact O-N 2.89Å; F455-L514 HydrophobicContact CE1-CD1 4.19Å; F455-L514 HydrophobicContact CZ-CD1 3.67Å; F455-M518 HydrophobicContact CE2-CG 4Å; F455-M518 HydrophobicContact CZ-CG 4.14Å; F455-M521 HydrophobicContact CB-SD 4.47Å; F455-M521 HydrophobicContact CD2-CB 4.11Å; F455-M521 HydrophobicContact CD2-CG 4.14Å
456	V	97.4	Very high	95.3	Very high	16 Å²	16	39.5 Å²	39.5	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-38.8	178.2	178.5	0	0	0	0	110.7	V45 Y49 C452 L458 W459 L460	V45-V456 HydrophobicContact CG1-CG1 4.26Å; V45-V456 HydrophobicContact CG1-CG2 3.86Å; Y49-V456 HydrophobicContact CD1-CG1 3.6Å; Y49-V456 HydrophobicContact CD2-CB 4.13Å; Y49-V456 HydrophobicContact CD2-CG1 3.97Å; Y49-V456 HydrophobicContact CD2-CG2 4.49Å; Y49-V456 HydrophobicContact CE1-CG1 3.95Å; Y49-V456 HydrophobicContact CE2-CB 4.28Å; Y49-V456 HydrophobicContact CE2-CG1 4.34Å; Y49-V456 HydrophobicContact CG-CB 4.27Å; Y49-V456 HydrophobicContact CG-CG1 3.59Å; C452-V456 WeakPolarHBondContact O-CG2 3.27Å; C452-V456 PolarHBondContact O-N 2.97Å; V456-L458 PolarHBondContact O-N 3.38Å; V456-W459 PolarHBondContact O-N 3.03Å; V456-L460 HydrophobicContact CG1-CD1 3.98Å; V456-L460 HydrophobicContact CG1-CG 4.16Å; V456-L460 WeakPolarHBondContact O-CG 3.46Å; V456-L460 PolarHBondContact O-N 3.43Å
457	F	97.5	Very high	95.8	Very high	44 Å²	44	38.3 Å²	38.3	19%	0.193	21%	0.207	C	C	.	.	H	α-helix	trans	-56.8	-49.8	172.6	166.6	-105.3	0	0	0	112.4	I378 N453 L454 F455 W459 L460 V461	I378-F457 HydrophobicContact CB-CE2 4.41Å; I378-F457 HydrophobicContact CG1-CE2 3.74Å; I378-F457 HydrophobicContact CG1-CZ 4.06Å; N453-F457 WeakPolarHBondContact O-CB 3.43Å; N453-F457 PolarHBondContact O-N 2.69Å; L454-F457 HydrophobicContact CD1-CD1 4.27Å; L454-F457 WeakPolarHBondContact O-CB 3.48Å; L454-F457 PolarHBondContact O-N 2.98Å; F455-F457 VanDerWaalsContact C-N 3.32Å; F455-F457 PolarHBondContact O-N 3.46Å; F457-W459 VanDerWaalsContact C-N 3.29Å; F457-W459 PolarHBondContact O-N 2.84Å; F457-L460 PolarHBondContact O-N 2.93Å; F457-V461 HydrophobicContact CD2-CG2 4.04Å; F457-V461 HydrophobicContact CE1-CG2 4.41Å; F457-V461 HydrophobicContact CE2-CG2 3.57Å; F457-V461 HydrophobicContact CZ-CG2 3.79Å; F457-V461 WeakPolarHBondContact O-CG2 3.25Å; F457-V461 PolarHBondContact O-N 3.3Å
458	L	97.1	Very high	96.2	Very high	22 Å²	22	33.1 Å²	33.1	12%	0.115	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-40.7	176.7	-67.8	172.2	0	0	0	111.5	L454 F455 V456 N462 A517 Q520 M521 I524	L454-L458 HydrophobicContact CD1-CG 4.44Å; L454-L458 HydrophobicContact CG-CD1 4.42Å; L454-L458 WeakPolarHBondContact O-CG 3.3Å; L454-L458 PolarHBondContact O-N 3.26Å; F455-L458 PolarHBondContact O-N 2.98Å; V456-L458 PolarHBondContact O-N 3.38Å; L458-N462 WeakPolarHBondContact O-CB 3.26Å; L458-N462 PolarHBondContact O-N 3.47Å; L458-N462 PolarHBondContact O-ND2 3.46Å; L458-A517 HydrophobicContact CB-CB 4.2Å; L458-Q520 HydrophobicContact CD1-CB 4.34Å; L458-M521 HydrophobicContact CD1-SD 4.31Å; L458-I524 HydrophobicContact CD1-CD1 3.68Å; L458-I524 HydrophobicContact CD2-CD1 4.42Å
459	W	98.1	Very high	96.5	Very high	10 Å²	10	31.5 Å²	31.5	4%	0.038	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-47.7	178.2	-169.5	9.1	0	0	0	112.1	I41 F42 V45 F455 V456 F457 V461 N462 F463 A510 S513 L514 A517	I41-W459 HydrophobicContact CG2-CH2 4.24Å; F42-W459 HydrophobicContact CB-CH2 4.47Å; F42-W459 HydrophobicContact CB-CZ2 4.29Å; F42-W459 HydrophobicContact CD2-CD2 4.25Å; F42-W459 AromaticContact CD2-CE2 3.71Å; F42-W459 HydrophobicContact CD2-CH2 4.08Å; F42-W459 AromaticContact CD2-CZ2 3.63Å; F42-W459 HydrophobicContact CD2-CZ2 3.63Å; F42-W459 HydrophobicContact CE2-CD2 4.41Å; F42-W459 HydrophobicContact CE2-CZ2 4.47Å; F42-W459 HydrophobicContact CG-CZ2 4.42Å; V45-W459 HydrophobicContact CB-CZ3 4.03Å; V45-W459 HydrophobicContact CG1-CE3 4.12Å; V45-W459 HydrophobicContact CG1-CZ3 3.84Å; V45-W459 HydrophobicContact CG2-CZ3 3.96Å; F455-W459 HydrophobicContact CE1-CE3 4.28Å; F455-W459 PolarHBondContact O-N 2.89Å; V456-W459 PolarHBondContact O-N 3.03Å; F457-W459 VanDerWaalsContact C-N 3.29Å; F457-W459 PolarHBondContact O-N 2.84Å; W459-V461 PolarHBondContact O-N 3.39Å; W459-N462 PolarHBondContact O-N 3.02Å; W459-F463 WeakPolarHBondContact O-CB 3.5Å; W459-F463 PolarHBondContact O-N 2.98Å; W459-A510 HydrophobicContact CZ2-CB 4.47Å; W459-A510 PolarHBondContact NE1-O 3Å; W459-S513 PolarHBondContact NE1-OG 3.06Å; W459-L514 HydrophobicContact CD2-CB 4.4Å; W459-L514 HydrophobicContact CD2-CD1 3.75Å; W459-L514 HydrophobicContact CE3-CD1 3.86Å; W459-L514 HydrophobicContact CG-CD1 4.34Å; W459-L514 HydrophobicContact CH2-CD1 3.98Å; W459-L514 HydrophobicContact CH2-CD2 4.25Å; W459-L514 HydrophobicContact CZ2-CB 3.85Å; W459-L514 HydrophobicContact CZ2-CD1 3.88Å; W459-L514 HydrophobicContact CZ2-CD2 4.06Å; W459-L514 HydrophobicContact CZ2-CG 4.14Å; W459-L514 HydrophobicContact CZ3-CD1 3.96Å; W459-A517 HydrophobicContact CB-CB 3.97Å; W459-A517 HydrophobicContact CG-CB 4.48Å
460	L	97.8	Very high	96.7	Very high	27 Å²	27	30.1 Å²	30.1	14%	0.141	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-43.5	178.2	-70.2	175.8	0	0	0	112.3	F42 I46 Y49 V456 F457 N462 F463 V464	F42-L460 HydrophobicContact CE2-CD2 3.98Å; F42-L460 HydrophobicContact CZ-CD2 3.91Å; I46-L460 HydrophobicContact CD1-CD2 4.29Å; I46-L460 HydrophobicContact CG1-CD2 4.11Å; Y49-L460 HydrophobicContact CD1-CD1 3.99Å; Y49-L460 HydrophobicContact CE1-CD1 3.89Å; V456-L460 HydrophobicContact CG1-CD1 3.98Å; V456-L460 HydrophobicContact CG1-CG 4.16Å; V456-L460 WeakPolarHBondContact O-CG 3.46Å; V456-L460 PolarHBondContact O-N 3.43Å; F457-L460 PolarHBondContact O-N 2.93Å; L460-N462 PolarHBondContact O-N 3.29Å; L460-F463 WeakPolarHBondContact O-CB 3.19Å; L460-F463 PolarHBondContact O-N 3.04Å; L460-V464 WeakPolarHBondContact O-CG2 3.28Å; L460-V464 PolarHBondContact O-N 3.4Å
461	V	97.1	Very high	96.9	Very high	30 Å²	30	27.3 Å²	27.3	18%	0.182	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-48.4	175.2	166.6	0	0	0	0	110.7	L374 C377 F457 W459 F463 V464 L465	L374-V461 HydrophobicContact CD2-CB 4.14Å; L374-V461 HydrophobicContact CD2-CG1 3.84Å; L374-V461 HydrophobicContact CD2-CG2 4.04Å; C377-V461 HydrophobicContact CB-CG2 4.41Å; F457-V461 HydrophobicContact CD2-CG2 4.04Å; F457-V461 HydrophobicContact CE1-CG2 4.41Å; F457-V461 HydrophobicContact CE2-CG2 3.57Å; F457-V461 HydrophobicContact CZ-CG2 3.79Å; F457-V461 WeakPolarHBondContact O-CG2 3.25Å; F457-V461 PolarHBondContact O-N 3.3Å; W459-V461 PolarHBondContact O-N 3.39Å; V461-F463 VanDerWaalsContact C-N 3.3Å; V461-F463 PolarHBondContact O-N 3.16Å; V461-V464 PolarHBondContact O-N 3Å; V461-L465 HydrophobicContact CG1-CD1 4.27Å; V461-L465 WeakPolarHBondContact O-CG 3.46Å; V461-L465 PolarHBondContact O-N 2.89Å; V461-L465 VanDerWaalsContact O-N 3.07Å
462	N	97.9	Very high	97.1	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.059	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-32.9	178.2	-74.3	-57.6	0	0	0	112.7	L458 W459 L460 L465 A466 S513 L516 Q520	L458-N462 WeakPolarHBondContact O-CB 3.26Å; L458-N462 PolarHBondContact O-N 3.47Å; L458-N462 PolarHBondContact O-ND2 3.46Å; W459-N462 PolarHBondContact O-N 3.02Å; L460-N462 PolarHBondContact O-N 3.29Å; N462-L465 PolarHBondContact O-N 3.32Å; N462-A466 VanDerWaalsContact O-CB 3.31Å; N462-A466 WeakPolarHBondContact O-CB 3.14Å; N462-A466 PolarHBondContact O-N 2.94Å; N462-S513 VanDerWaalsContact C-CB 3.46Å; N462-L516 HydrophobicContact CB-CD2 4.47Å; N462-L516 WeakPolarHBondContact OD1-CD2 3.38Å; N462-Q520 PolarHBondContact ND2-OE1 3.25Å
463	F	98.2	Very high	97.2	Very high	17 Å²	17	21.9 Å²	21.9	8%	0.075	11%	0.111	C	C	.	.	H	α-helix	trans	-65.2	-47.4	175	176.3	-93.4	0	0	0	111.4	F42 W459 L460 V461 L465 A466 L467 T506 L509 A510	F42-F463 HydrophobicContact CD1-CE2 4.34Å; F42-F463 HydrophobicContact CE1-CD1 4.1Å; F42-F463 AromaticContact CE1-CD2 3.88Å; F42-F463 HydrophobicContact CE1-CD2 3.88Å; F42-F463 AromaticContact CE1-CE1 3.93Å; F42-F463 HydrophobicContact CE1-CE1 3.93Å; F42-F463 AromaticContact CE1-CE2 3.69Å; F42-F463 HydrophobicContact CE1-CE2 3.69Å; F42-F463 HydrophobicContact CE1-CG 4.08Å; F42-F463 AromaticContact CE1-CZ 3.72Å; F42-F463 HydrophobicContact CE1-CZ 3.72Å; F42-F463 HydrophobicContact CE2-CB 4.34Å; F42-F463 HydrophobicContact CE2-CD2 4.21Å; F42-F463 HydrophobicContact CE2-CG 4.17Å; F42-F463 HydrophobicContact CZ-CB 4.05Å; F42-F463 AromaticContact CZ-CD1 3.69Å; F42-F463 HydrophobicContact CZ-CD1 3.69Å; F42-F463 AromaticContact CZ-CD2 3.63Å; F42-F463 HydrophobicContact CZ-CD2 3.63Å; F42-F463 HydrophobicContact CZ-CE1 4.01Å; F42-F463 AromaticContact CZ-CE2 3.95Å; F42-F463 HydrophobicContact CZ-CE2 3.95Å; F42-F463 AromaticContact CZ-CG 3.49Å; F42-F463 HydrophobicContact CZ-CG 3.49Å; F42-F463 VanDerWaalsContact CZ-CG 3.49Å; F42-F463 HydrophobicContact CZ-CZ 4.14Å; W459-F463 WeakPolarHBondContact O-CB 3.5Å; W459-F463 PolarHBondContact O-N 2.98Å; L460-F463 WeakPolarHBondContact O-CB 3.19Å; L460-F463 PolarHBondContact O-N 3.04Å; V461-F463 VanDerWaalsContact C-N 3.3Å; V461-F463 PolarHBondContact O-N 3.16Å; F463-L465 VanDerWaalsContact C-N 3.29Å; F463-L465 PolarHBondContact O-N 3.35Å; F463-A466 WeakPolarHBondContact O-CB 3.5Å; F463-A466 PolarHBondContact O-N 2.62Å; F463-A466 VanDerWaalsContact O-N 3.13Å; F463-L467 WeakPolarHBondContact O-CB 3.43Å; F463-L467 PolarHBondContact O-N 3.41Å; F463-T506 HydrophobicContact CE2-CG2 4.07Å; F463-T506 HydrophobicContact CZ-CG2 4.01Å; F463-L509 HydrophobicContact CD2-CB 4.2Å; F463-L509 HydrophobicContact CE2-CB 3.91Å; F463-A510 HydrophobicContact CD2-CB 4.24Å; F463-A510 HydrophobicContact CE2-CB 4.31Å
464	V	97.5	Very high	97.2	Very high	11 Å²	11	21.5 Å²	21.5	7%	0.067	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-42.7	176.2	170.9	0	0	0	0	110.8	T370 L373 L374 L460 V461 L467 G468	T370-V464 HydrophobicContact CG2-CG1 4.19Å; L373-V464 HydrophobicContact CB-CG1 3.65Å; L373-V464 HydrophobicContact CB-CG2 3.99Å; L373-V464 HydrophobicContact CD1-CG1 4.18Å; L374-V464 HydrophobicContact CD2-CB 4.05Å; L374-V464 HydrophobicContact CD2-CG1 3.93Å; L374-V464 HydrophobicContact CG-CG1 3.99Å; L460-V464 WeakPolarHBondContact O-CG2 3.28Å; L460-V464 PolarHBondContact O-N 3.4Å; V461-V464 PolarHBondContact O-N 3Å; V464-L467 PolarHBondContact O-N 3.09Å; V464-G468 PolarHBondContact O-N 2.84Å; V464-G468 VanDerWaalsContact O-N 3.09Å
465	L	96.4	Very high	97.2	Very high	72 Å²	72	18.8 Å²	18.8	38%	0.377	10%	0.095	S	C	.	.	H	α-helix	trans	-65.6	-41.1	175.2	-66.4	176.1	0	0	0	112.3	T370 L374 V461 N462 F463 G468 K469	T370-L465 HydrophobicContact CG2-CD2 4.15Å; L374-L465 HydrophobicContact CD1-CD2 4.31Å; V461-L465 HydrophobicContact CG1-CD1 4.27Å; V461-L465 WeakPolarHBondContact O-CG 3.46Å; V461-L465 PolarHBondContact O-N 2.89Å; V461-L465 VanDerWaalsContact O-N 3.07Å; N462-L465 PolarHBondContact O-N 3.32Å; F463-L465 VanDerWaalsContact C-N 3.29Å; F463-L465 PolarHBondContact O-N 3.35Å; L465-G468 PolarHBondContact O-N 3.37Å; L465-K469 WeakPolarHBondContact O-CG 3.42Å; L465-K469 PolarHBondContact O-N 2.86Å
466	A	97.5	Very high	97.2	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-44.2	176.6	0	0	0	0	0	111.9	N462 F463 G468 K469 C470 L509 Y567	N462-A466 VanDerWaalsContact O-CB 3.31Å; N462-A466 WeakPolarHBondContact O-CB 3.14Å; N462-A466 PolarHBondContact O-N 2.94Å; F463-A466 WeakPolarHBondContact O-CB 3.5Å; F463-A466 PolarHBondContact O-N 2.62Å; F463-A466 VanDerWaalsContact O-N 3.13Å; A466-G468 VanDerWaalsContact C-N 3.28Å; A466-G468 PolarHBondContact O-N 3.05Å; A466-K469 PolarHBondContact O-N 3.38Å; A466-C470 PolarHBondContact O-N 3.48Å; A466-L509 HydrophobicContact CB-CB 4.34Å; A466-L509 HydrophobicContact CB-CD2 4.17Å; A466-Y567 HydrophobicContact CB-CD2 4.22Å; A466-Y567 HydrophobicContact CB-CE1 4.23Å; A466-Y567 HydrophobicContact CB-CE2 3.47Å; A466-Y567 VanDerWaalsContact CB-CE2 3.47Å; A466-Y567 VanDerWaalsContact CB-CZ 3.49Å
467	L	97.6	Very high	97	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.026	8%	0.079	C	C	.	.	H	α-helix	trans	-57.7	-42.2	174.4	179.4	59.8	0	0	0	111.4	F463 V464 T471 F498 A501 M502 L509	F463-L467 WeakPolarHBondContact O-CB 3.43Å; F463-L467 PolarHBondContact O-N 3.41Å; V464-L467 PolarHBondContact O-N 3.09Å; L467-T471 VanDerWaalsContact O-CB 3.23Å; L467-T471 WeakPolarHBondContact O-CB 3.35Å; L467-T471 PolarHBondContact O-N 3.4Å; L467-T471 PolarHBondContact O-OG1 2.63Å; L467-F498 HydrophobicContact CD1-CD2 4.25Å; L467-F498 HydrophobicContact CD1-CE2 4.16Å; L467-F498 HydrophobicContact CD2-CD2 4.44Å; L467-F498 HydrophobicContact CD2-CE2 3.6Å; L467-F498 HydrophobicContact CD2-CZ 4.15Å; L467-F498 HydrophobicContact CG-CD2 4.3Å; L467-F498 HydrophobicContact CG-CE2 3.93Å; L467-A501 HydrophobicContact CD1-CB 3.87Å; L467-M502 HydrophobicContact CD1-CG 3.99Å; L467-M502 HydrophobicContact CD1-SD 3.84Å; L467-M502 HydrophobicContact CD2-CG 4.45Å; L467-M502 HydrophobicContact CD2-SD 3.7Å; L467-M502 HydrophobicContact CG-SD 4.43Å; L467-L509 HydrophobicContact CB-CD1 4.33Å; L467-L509 HydrophobicContact CD1-CD1 3.96Å
468	G	96.4	Very high	96.8	Very high	5 Å²	5	14 Å²	14	5%	0.052	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-47.7	174.3	0	0	0	0	0	114.4	Y366 V464 L465 A466 T471 L472	Y366-G468 VanDerWaalsContact OH-CA 3.28Å; Y366-G468 WeakPolarHBondContact OH-CA 3.34Å; V464-G468 PolarHBondContact O-N 2.84Å; V464-G468 VanDerWaalsContact O-N 3.09Å; L465-G468 PolarHBondContact O-N 3.37Å; A466-G468 VanDerWaalsContact C-N 3.28Å; A466-G468 PolarHBondContact O-N 3.05Å; G468-T471 PolarHBondContact O-N 3.07Å; G468-L472 WeakPolarHBondContact O-CB 3.49Å; G468-L472 WeakPolarHBondContact O-CG 3.14Å; G468-L472 PolarHBondContact O-N 3.09Å
469	K	97.2	Very high	96.6	Very high	59 Å²	59	13.3 Å²	13.3	26%	0.257	7%	0.07	S	C	.	.	H	α-helix	trans	-60.3	-48.3	178	-68.7	-176.8	175.2	-174.2	0	111.9	L465 A466 A473 T564 Y567 M666	L465-K469 WeakPolarHBondContact O-CG 3.42Å; L465-K469 PolarHBondContact O-N 2.86Å; A466-K469 PolarHBondContact O-N 3.38Å; K469-A473 WeakPolarHBondContact O-CB 3.24Å; K469-A473 PolarHBondContact O-N 2.91Å; K469-T564 HydrophobicContact CD-CG2 4.3Å; K469-T564 PolarHBondContact NZ-OG1 3.39Å; K469-Y567 HydrophobicContact CB-CD2 4Å; K469-Y567 HydrophobicContact CD-CD2 4.07Å; K469-Y567 HydrophobicContact CD-CE2 4.48Å; K469-M666 HydrophobicContact CB-CE 3.78Å; K469-M666 HydrophobicContact CB-SD 4.1Å; K469-M666 HydrophobicContact CD-SD 4.09Å; K469-M666 HydrophobicContact CG-CE 4.06Å; K469-M666 HydrophobicContact CG-CG 4.4Å; K469-M666 HydrophobicContact CG-SD 3.66Å
470	C	97.3	Very high	96.3	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.02	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-41.5	-179.6	-167.9	0	0	0	0	111.9	A466 A473 G474 L509 A571	A466-C470 PolarHBondContact O-N 3.48Å; C470-A473 PolarHBondContact O-N 3.48Å; C470-G474 PolarHBondContact O-N 3.46Å; C470-L509 HydrophobicContact CB-CD2 3.74Å; C470-A571 WeakPolarHBondContact O-CB 3.29Å
471	T	97.1	Very high	96	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61	-52.2	177.6	-62.6	0	0	0	0	111.7	Y366 L467 G468 G474 A475 V494 S497 F498	Y366-T471 HydrophobicContact CD2-CG2 4.16Å; Y366-T471 HydrophobicContact CE2-CG2 3.57Å; L467-T471 VanDerWaalsContact O-CB 3.23Å; L467-T471 WeakPolarHBondContact O-CB 3.35Å; L467-T471 PolarHBondContact O-N 3.4Å; L467-T471 PolarHBondContact O-OG1 2.63Å; G468-T471 PolarHBondContact O-N 3.07Å; T471-G474 PolarHBondContact O-N 3.02Å; T471-A475 PolarHBondContact O-N 3.27Å; T471-A475 VanDerWaalsContact O-N 3.15Å; T471-V494 HydrophobicContact CG2-CG1 4.03Å; T471-V494 WeakPolarHBondContact CG2-O 3.27Å; T471-S497 WeakPolarHBondContact CA-OG 3.46Å; T471-S497 VanDerWaalsContact O-CB 3.24Å; T471-S497 WeakPolarHBondContact O-CB 3.37Å; T471-S497 PolarHBondContact O-OG 3Å; T471-F498 HydrophobicContact CG2-CB 3.73Å; T471-F498 HydrophobicContact CG2-CD2 4.34Å
472	L	97.1	Very high	95.6	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.042	6%	0.059	C	C	.	.	H	α-helix	trans	-63	-43	179.1	-70.8	172.7	0	0	0	111.3	T363 Y366 G468 G474 A475 F476 V663 M666	T363-L472 HydrophobicContact CG2-CD2 3.96Å; Y366-L472 HydrophobicContact CD1-CD1 4.26Å; Y366-L472 HydrophobicContact CD1-CD2 4.44Å; Y366-L472 HydrophobicContact CD1-CG 4.23Å; Y366-L472 HydrophobicContact CG-CD2 4.16Å; Y366-L472 HydrophobicContact CG-CG 4.4Å; G468-L472 WeakPolarHBondContact O-CB 3.49Å; G468-L472 WeakPolarHBondContact O-CG 3.14Å; G468-L472 PolarHBondContact O-N 3.09Å; L472-G474 PolarHBondContact O-N 3.42Å; L472-A475 PolarHBondContact O-N 2.91Å; L472-A475 VanDerWaalsContact O-N 3.17Å; L472-F476 HydrophobicContact CB-CD2 4.31Å; L472-F476 HydrophobicContact CB-CE2 4.07Å; L472-F476 HydrophobicContact CD2-CE2 4.28Å; L472-F476 WeakPolarHBondContact O-CD2 3.42Å; L472-F476 PolarHBondContact O-N 2.9Å; L472-V663 HydrophobicContact CD1-CB 4.45Å; L472-V663 HydrophobicContact CD1-CG1 4.34Å; L472-V663 HydrophobicContact CD1-CG2 4.12Å; L472-V663 HydrophobicContact CD2-CG1 4.13Å; L472-M666 HydrophobicContact CB-CB 4.41Å; L472-M666 HydrophobicContact CD1-CB 4.31Å; L472-M666 HydrophobicContact CD1-CG 4.44Å
473	A	97.3	Very high	94.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-44.5	177.2	0	0	0	0	0	112.2	K469 C470 A475 F476 A477 I568 A571 T670	K469-A473 WeakPolarHBondContact O-CB 3.24Å; K469-A473 PolarHBondContact O-N 2.91Å; C470-A473 PolarHBondContact O-N 3.48Å; A473-A475 VanDerWaalsContact C-N 3.3Å; A473-A475 PolarHBondContact O-N 3.27Å; A473-F476 PolarHBondContact O-N 2.8Å; A473-A477 WeakPolarHBondContact O-CB 3.46Å; A473-A477 PolarHBondContact O-N 3.24Å; A473-I568 HydrophobicContact CB-CB 4.21Å; A473-I568 HydrophobicContact CB-CG1 3.81Å; A473-I568 HydrophobicContact CB-CG2 4.32Å; A473-A571 HydrophobicContact CB-CB 3.88Å; A473-T670 WeakPolarHBondContact CA-OG1 3.39Å; A473-T670 HydrophobicContact CB-CG2 4.31Å; A473-T670 WeakPolarHBondContact O-CG2 3.43Å
474	G	95.9	Very high	94	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-31.4	177.8	0	0	0	0	0	113.3	C470 T471 L472 S478 S497	C470-G474 PolarHBondContact O-N 3.46Å; T471-G474 PolarHBondContact O-N 3.02Å; L472-G474 PolarHBondContact O-N 3.42Å; G474-S478 PolarHBondContact O-N 3.29Å; G474-S478 VanDerWaalsContact O-N 3.15Å; G474-S478 PolarHBondContact O-OG 2.85Å; G474-S497 VanDerWaalsContact CA-OG 3.26Å; G474-S497 WeakPolarHBondContact CA-OG 3.44Å
475	A	95.9	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69.2	-49.4	174.5	0	0	0	0	0	111.4	I360 T363 T471 L472 A473 S478 Y479 P493 V494	I360-A475 VanDerWaalsContact CD1-O 3.29Å; I360-A475 WeakPolarHBondContact CD1-O 3.4Å; T363-A475 HydrophobicContact CG2-CB 4.47Å; T471-A475 PolarHBondContact O-N 3.27Å; T471-A475 VanDerWaalsContact O-N 3.15Å; L472-A475 PolarHBondContact O-N 2.91Å; L472-A475 VanDerWaalsContact O-N 3.17Å; A473-A475 VanDerWaalsContact C-N 3.3Å; A473-A475 PolarHBondContact O-N 3.27Å; A475-S478 WeakPolarHBondContact O-CB 3.49Å; A475-S478 PolarHBondContact O-N 2.86Å; A475-Y479 PolarHBondContact O-N 3.12Å; A475-P493 HydrophobicContact CB-CB 4.32Å; A475-V494 HydrophobicContact CB-CG2 4.12Å
476	F	95.8	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.3	-33.4	179.3	-65.3	-53.5	0	0	0	113.2	A356 I357 I360 T363 L472 A473 S478 Y479 Y480 V663 C667 T670	A356-F476 HydrophobicContact CB-CD1 4.17Å; I357-F476 HydrophobicContact CG1-CE1 3.81Å; I357-F476 HydrophobicContact CG1-CZ 3.9Å; I360-F476 HydrophobicContact CD1-CD1 4.45Å; T363-F476 HydrophobicContact CG2-CE1 3.75Å; T363-F476 HydrophobicContact CG2-CE2 4.32Å; T363-F476 HydrophobicContact CG2-CZ 3.6Å; L472-F476 HydrophobicContact CB-CD2 4.31Å; L472-F476 HydrophobicContact CB-CE2 4.07Å; L472-F476 HydrophobicContact CD2-CE2 4.28Å; L472-F476 WeakPolarHBondContact O-CD2 3.42Å; L472-F476 PolarHBondContact O-N 2.9Å; A473-F476 PolarHBondContact O-N 2.8Å; F476-S478 VanDerWaalsContact C-N 3.3Å; F476-S478 PolarHBondContact O-N 2.85Å; F476-Y479 WeakPolarHBondContact O-CB 3.49Å; F476-Y479 PolarHBondContact O-N 3.26Å; F476-Y479 VanDerWaalsContact O-N 3.16Å; F476-Y480 PolarHBondContact O-N 3.47Å; F476-V663 HydrophobicContact CE2-CG1 4.43Å; F476-V663 HydrophobicContact CZ-CG1 4.13Å; F476-C667 HydrophobicContact CD1-CB 4.13Å; F476-C667 WeakPolarHBondContact CD1-SG 3.31Å; F476-C667 VanDerWaalsContact CD2-CA 3.42Å; F476-C667 HydrophobicContact CD2-CB 3.77Å; F476-C667 HydrophobicContact CE1-CB 3.88Å; F476-C667 VanDerWaalsContact CE1-SG 3.54Å; F476-C667 HydrophobicContact CE2-CB 3.48Å; F476-C667 VanDerWaalsContact CE2-CB 3.48Å; F476-C667 HydrophobicContact CG-CB 4.08Å; F476-C667 HydrophobicContact CZ-CB 3.55Å; F476-T670 HydrophobicContact CB-CG2 3.85Å
477	A	94.7	Very high	92.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-38.8	170.9	0	0	0	0	0	111.3	P27 A473 Y479 Y480 W481 I572 T670	P27-A477 HydrophobicContact CG-CB 3.71Å; A473-A477 WeakPolarHBondContact O-CB 3.46Å; A473-A477 PolarHBondContact O-N 3.24Å; A477-Y479 VanDerWaalsContact C-N 3.26Å; A477-Y479 PolarHBondContact O-N 3.05Å; A477-Y480 PolarHBondContact O-N 3.31Å; A477-W481 PolarHBondContact O-N 3.44Å; A477-W481 VanDerWaalsContact O-N 3.11Å; A477-I572 HydrophobicContact CB-CG1 3.85Å; A477-T670 HydrophobicContact CB-CG2 4.18Å
478	S	93.1	Very high	91.5	Very high	11 Å²	11	37.2 Å²	37.2	8%	0.077	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-36.3	174.2	-55	0	0	0	0	111.6	G474 A475 F476 A482	G474-S478 PolarHBondContact O-N 3.29Å; G474-S478 VanDerWaalsContact O-N 3.15Å; G474-S478 PolarHBondContact O-OG 2.85Å; A475-S478 WeakPolarHBondContact O-CB 3.49Å; A475-S478 PolarHBondContact O-N 2.86Å; F476-S478 VanDerWaalsContact C-N 3.3Å; F476-S478 PolarHBondContact O-N 2.85Å; S478-A482 WeakPolarHBondContact O-CB 3.36Å; S478-A482 PolarHBondContact O-N 3.43Å
479	Y	93.3	Very high	91	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-66.8	-48.4	171.6	167	-94.8	0	0	0	112.6	A356 Y359 A475 F476 A477 W481 A482 K485 I489 L671	A356-Y479 HydrophobicContact CB-CD1 3.38Å; A356-Y479 HydrophobicContact CB-CD2 4.4Å; A356-Y479 HydrophobicContact CB-CE1 3.4Å; A356-Y479 HydrophobicContact CB-CE2 4.44Å; A356-Y479 HydrophobicContact CB-CG 3.91Å; Y359-Y479 HydrophobicContact CD2-CD2 4.2Å; Y359-Y479 AromaticContact CD2-CE2 3.41Å; Y359-Y479 HydrophobicContact CD2-CE2 3.41Å; Y359-Y479 VanDerWaalsContact CD2-CE2 3.41Å; Y359-Y479 HydrophobicContact CE2-CE2 4.07Å; Y359-Y479 HydrophobicContact CG-CE2 4.12Å; A475-Y479 PolarHBondContact O-N 3.12Å; F476-Y479 WeakPolarHBondContact O-CB 3.49Å; F476-Y479 PolarHBondContact O-N 3.26Å; F476-Y479 VanDerWaalsContact O-N 3.16Å; A477-Y479 VanDerWaalsContact C-N 3.26Å; A477-Y479 PolarHBondContact O-N 3.05Å; Y479-W481 PolarHBondContact O-N 2.88Å; Y479-A482 PolarHBondContact O-N 3.21Å; Y479-K485 HydrophobicContact CD2-CD 4.37Å; Y479-K485 HydrophobicContact CE2-CD 3.69Å; Y479-K485 HydrophobicContact CE2-CG 4.24Å; Y479-K485 WeakPolarHBondContact O-CE 3.45Å; Y479-K485 PolarHBondContact O-NZ 3.34Å; Y479-I489 HydrophobicContact CD2-CD1 3.7Å; Y479-I489 HydrophobicContact CE2-CD1 4.36Å; Y479-L671 HydrophobicContact CD1-CD2 3.99Å; Y479-L671 HydrophobicContact CE1-CD2 4.32Å
480	Y	91.7	Very high	90.4	Very high	14 Å²	14	37.7 Å²	37.7	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-53.2	-175.4	-175.7	-85.4	0	0	0	111.1	F476 A477 A482 K485 L671 C674 F675 D678 H691	F476-Y480 PolarHBondContact O-N 3.47Å; A477-Y480 PolarHBondContact O-N 3.31Å; Y480-A482 VanDerWaalsContact C-N 3.3Å; Y480-A482 PolarHBondContact O-N 3.2Å; Y480-K485 PolarHBondContact O-NZ 3Å; Y480-K485 VanDerWaalsContact O-NZ 3.1Å; Y480-L671 HydrophobicContact CD2-CD2 3.79Å; Y480-L671 HydrophobicContact CG-CD2 4.37Å; Y480-C674 HydrophobicContact CD1-CB 3.48Å; Y480-C674 VanDerWaalsContact CD1-CB 3.48Å; Y480-C674 HydrophobicContact CD2-CB 3.81Å; Y480-C674 HydrophobicContact CE1-CB 3.84Å; Y480-C674 HydrophobicContact CE2-CB 4.12Å; Y480-C674 HydrophobicContact CG-CB 3.5Å; Y480-C674 VanDerWaalsContact CG-CB 3.5Å; Y480-F675 HydrophobicContact CE2-CB 4.21Å; Y480-F675 WeakPolarHBondContact OH-CA 3.43Å; Y480-D678 HydrophobicContact CE1-CB 4.04Å; Y480-D678 WeakPolarHBondContact OH-CB 3.49Å; Y480-D678 PolarHBondContact OH-OD2 3.34Å; Y480-H691 HydrophobicContact CE1-CB 4.1Å
481	W	90.7	Very high	89.8	Confident	9 Å²	9	44.5 Å²	44.5	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-77.2	-9.8	-173.2	-66.3	107.9	0	0	0	114.4	F24 G26 A477 Y479 K483 C674 C677 D678 H691	F24-W481 HydrophobicContact CD1-CD2 4.43Å; F24-W481 HydrophobicContact CD1-CE3 4.26Å; F24-W481 HydrophobicContact CD1-CZ3 4.37Å; F24-W481 AromaticContact CE1-CD2 3.71Å; F24-W481 HydrophobicContact CE1-CD2 3.71Å; F24-W481 AromaticContact CE1-CE2 3.67Å; F24-W481 AromaticContact CE1-CE3 3.95Å; F24-W481 HydrophobicContact CE1-CE3 3.95Å; F24-W481 HydrophobicContact CE1-CG 4.24Å; F24-W481 HydrophobicContact CE1-CH2 4.14Å; F24-W481 AromaticContact CE1-CZ2 3.91Å; F24-W481 HydrophobicContact CE1-CZ2 3.91Å; F24-W481 HydrophobicContact CE1-CZ3 4.16Å; G26-W481 VanDerWaalsContact CA-CB 3.43Å; A477-W481 PolarHBondContact O-N 3.44Å; A477-W481 VanDerWaalsContact O-N 3.11Å; Y479-W481 PolarHBondContact O-N 2.88Å; W481-K483 PolarHBondContact O-N 3.39Å; W481-C674 HydrophobicContact CZ2-CB 4.4Å; W481-C677 HydrophobicContact CH2-CB 4.5Å; W481-C677 HydrophobicContact CZ2-CB 4.11Å; W481-D678 HydrophobicContact CH2-CB 3.89Å; W481-D678 HydrophobicContact CZ3-CB 4.38Å; W481-H691 HydrophobicContact CE3-CB 4.26Å; W481-H691 AromaticContact CE3-CD2 3.94Å; W481-H691 AromaticContact CE3-CG 3.87Å; W481-H691 HydrophobicContact CZ3-CB 4.44Å; W481-H691 AromaticContact CZ3-CD2 3.88Å; W481-H691 PolarHBondContact O-ND1 3.24Å
482	A	88.3	Confident	89.3	Confident	7 Å²	7	48.1 Å²	48.1	6%	0.058	25%	0.245	C	C	.	.			trans	-64.6	124	173.4	0	0	0	0	0	111.4	S478 Y479 Y480 K485 D488 I489	S478-A482 WeakPolarHBondContact O-CB 3.36Å; S478-A482 PolarHBondContact O-N 3.43Å; Y479-A482 PolarHBondContact O-N 3.21Å; Y480-A482 VanDerWaalsContact C-N 3.3Å; Y480-A482 PolarHBondContact O-N 3.2Å; A482-K485 HydrophobicContact CB-CG 4.34Å; A482-K485 PolarHBondContact O-NZ 3.44Å; A482-D488 HydrophobicContact CB-CB 4.15Å; A482-I489 HydrophobicContact CB-CG1 3.92Å
483	K	81.9	Confident	89.1	Confident	116 Å²	116	48.1 Å²	48.1	50%	0.504	25%	0.245	S	C	.	.	S	Bend	trans	-72.2	-49.8	-179	-69.7	-172.9	175.2	-172.6	0	111.8	W481	W481-K483 PolarHBondContact O-N 3.39Å
484	R	81.8	Confident	88.9	Confident	163 Å²	163	48.9 Å²	48.9	62%	0.615	25%	0.25	S	S	*	.	S	Bend	trans	-107	107.2	175.7	-59.6	178.6	-62.6	-174	1.9	110.1	P486 K487 D488	R484-P486 CarbonylContact O-C 3.56Å; R484-K487 PolarHBondContact O-N 3.3Å; R484-K487 VanDerWaalsContact O-N 3.12Å; R484-D488 WeakPolarHBondContact CB-OD2 3.22Å; R484-D488 IonicContact CZ-OD1 3.79Å; R484-D488 PolarHBondContact N-OD2 3.43Å; R484-D488 IonicContact NE-OD1 3.41Å; R484-D488 PolarHBondContact NE-OD1 3.09Å; R484-D488 IonicContact NE-OD2 3.62Å; R484-D488 IonicContact NH2-OD1 3.24Å; R484-D488 PolarHBondContact NH2-OD1 3.34Å; R484-D488 WeakPolarHBondContact O-CB 3.27Å; R484-D488 PolarHBondContact O-N 2.93Å
485	K	85.4	Confident	88.8	Confident	61 Å²	61	56.9 Å²	56.9	27%	0.265	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	128.1	177.5	-61.3	167.5	169.5	75.1	0	108.8	Y479 Y480 A482	Y479-K485 HydrophobicContact CD2-CD 4.37Å; Y479-K485 HydrophobicContact CE2-CD 3.69Å; Y479-K485 HydrophobicContact CE2-CG 4.24Å; Y479-K485 WeakPolarHBondContact O-CE 3.45Å; Y479-K485 PolarHBondContact O-NZ 3.34Å; Y480-K485 PolarHBondContact O-NZ 3Å; Y480-K485 VanDerWaalsContact O-NZ 3.1Å; A482-K485 HydrophobicContact CB-CG 4.34Å; A482-K485 PolarHBondContact O-NZ 3.44Å
486	P	82.3	Confident	88.6	Confident	73 Å²	73	58.6 Å²	58.6	47%	0.474	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.9	-6.8	4.8	35.1	-34.7	0	0	0	116	Y359 R484 D488 I489	Y359-P486 HydrophobicContact CD1-CB 3.79Å; Y359-P486 HydrophobicContact CE1-CB 3.83Å; Y359-P486 HydrophobicContact CE1-CG 4.17Å; R484-P486 CarbonylContact O-C 3.56Å; P486-D488 VanDerWaalsContact C-N 3.31Å; P486-D488 PolarHBondContact O-N 3.49Å; P486-I489 HydrophobicContact CB-CD1 4.21Å; P486-I489 WeakPolarHBondContact O-CB 3.36Å; P486-I489 PolarHBondContact O-N 2.9Å
487	K	82.8	Confident	88.5	Confident	179 Å²	179	58.9 Å²	58.9	78%	0.778	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.4	-167.3	-65	-172.2	179.5	-176	0	115.3	R484 I489	R484-K487 PolarHBondContact O-N 3.3Å; R484-K487 VanDerWaalsContact O-N 3.12Å; K487-I489 VanDerWaalsContact C-N 3.34Å
488	D	84.8	Confident	88.6	Confident	65 Å²	65	61.7 Å²	61.7	35%	0.348	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.6	-177.4	-57.5	-19.6	0	0	0	112.5	A482 R484 P486	A482-D488 HydrophobicContact CB-CB 4.15Å; R484-D488 WeakPolarHBondContact CB-OD2 3.22Å; R484-D488 IonicContact CZ-OD1 3.79Å; R484-D488 PolarHBondContact N-OD2 3.43Å; R484-D488 IonicContact NE-OD1 3.41Å; R484-D488 PolarHBondContact NE-OD1 3.09Å; R484-D488 IonicContact NE-OD2 3.62Å; R484-D488 IonicContact NH2-OD1 3.24Å; R484-D488 PolarHBondContact NH2-OD1 3.34Å; R484-D488 WeakPolarHBondContact O-CB 3.27Å; R484-D488 PolarHBondContact O-N 2.93Å; P486-D488 VanDerWaalsContact C-N 3.31Å; P486-D488 PolarHBondContact O-N 3.49Å
489	I	87.2	Confident	88.7	Confident	23 Å²	23	63.5 Å²	63.5	12%	0.118	32%	0.323	C	S	.	.	S	Bend	trans	-83	132.5	175.4	-54.8	171.1	0	0	0	108.6	Y359 Y479 A482 P486 K487	Y359-I489 HydrophobicContact CG-CD1 4.38Å; Y479-I489 HydrophobicContact CD2-CD1 3.7Å; Y479-I489 HydrophobicContact CE2-CD1 4.36Å; A482-I489 HydrophobicContact CB-CG1 3.92Å; P486-I489 HydrophobicContact CB-CD1 4.21Å; P486-I489 WeakPolarHBondContact O-CB 3.36Å; P486-I489 PolarHBondContact O-N 2.9Å; K487-I489 VanDerWaalsContact C-N 3.34Å
490	P	85.1	Confident	88.7	Confident	51 Å²	51	64.1 Å²	64.1	33%	0.331	33%	0.325	S	S	.	.			trans	-55.8	145	174.4	-23.1	32.4	0	0	0	112	C492 P493	P490-C492 PolarHBondContact O-N 3.28Å; P490-P493 HydrophobicContact CB-CB 4.33Å; P490-P493 VanDerWaalsContact O-CD 3.28Å; P490-P493 WeakPolarHBondContact O-CD 3.4Å
491	T	83.4	Confident	88.9	Confident	145 Å²	145	63.5 Å²	63.5	89%	0.89	32%	0.323	S	S	*	.	S	Bend	trans	-61.4	-40.6	-177	46.6	0	0	0	0	113.5
492	C	87.6	Confident	89.1	Confident	76 Å²	76	66.8 Å²	66.8	51%	0.514	34%	0.34	S	S	.	.	S	Bend	trans	-125.3	69.4	178.3	-61.2	0	0	0	0	111	P490 V494 Y495 A496	P490-C492 PolarHBondContact O-N 3.28Å; C492-V494 VanDerWaalsContact C-N 3.33Å; C492-V494 PolarHBondContact O-N 2.99Å; C492-Y495 PolarHBondContact O-N 2.77Å; C492-A496 WeakPolarHBondContact O-CB 3.24Å; C492-A496 PolarHBondContact O-N 3.42Å
493	P	91.4	Very high	89.4	Confident	8 Å²	8	74.9 Å²	74.9	5%	0.052	37%	0.369	C	S	.	.	H	α-helix	trans	-70.7	-30.5	-168.9	30.6	-33.7	0	0	0	112	I360 A475 P490 S497	I360-P493 HydrophobicContact CB-CG 4.44Å; I360-P493 HydrophobicContact CD1-CG 4.06Å; I360-P493 HydrophobicContact CG1-CG 4.08Å; I360-P493 HydrophobicContact CG2-CG 3.5Å; A475-P493 HydrophobicContact CB-CB 4.32Å; P490-P493 HydrophobicContact CB-CB 4.33Å; P490-P493 VanDerWaalsContact O-CD 3.28Å; P490-P493 WeakPolarHBondContact O-CD 3.4Å; P493-S497 WeakPolarHBondContact O-CB 3.36Å; P493-S497 PolarHBondContact O-N 3.22Å
494	V	94.3	Very high	90	Very high	17 Å²	17	71.9 Å²	71.9	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-51.8	176.4	-178.9	0	0	0	0	110.8	I360 C362 T363 Y366 T471 A475 C492 S497 F498	I360-V494 HydrophobicContact CG2-CG2 3.81Å; C362-V494 HydrophobicContact CB-CG2 4.09Å; T363-V494 HydrophobicContact CG2-CG2 3.72Å; Y366-V494 HydrophobicContact CD2-CG1 3.86Å; Y366-V494 HydrophobicContact CE2-CG1 4.48Å; T471-V494 HydrophobicContact CG2-CG1 4.03Å; T471-V494 WeakPolarHBondContact CG2-O 3.27Å; A475-V494 HydrophobicContact CB-CG2 4.12Å; C492-V494 VanDerWaalsContact C-N 3.33Å; C492-V494 PolarHBondContact O-N 2.99Å; V494-S497 PolarHBondContact O-N 2.83Å; V494-F498 WeakPolarHBondContact O-CB 3.47Å; V494-F498 PolarHBondContact O-N 3.42Å
495	Y	93	Very high	90.7	Very high	167 Å²	167	64.2 Å²	64.2	66%	0.655	33%	0.326	S	S	*	.	H	α-helix	trans	-63.3	-44.9	179.1	175.9	-99.9	0	0	0	111.9	C492 S497 F498 S499	C492-Y495 PolarHBondContact O-N 2.77Å; Y495-S497 VanDerWaalsContact C-N 3.3Å; Y495-S497 PolarHBondContact O-N 2.98Å; Y495-F498 PolarHBondContact O-N 3.28Å; Y495-S499 WeakPolarHBondContact O-CB 3.25Å; Y495-S499 PolarHBondContact O-N 2.87Å
496	A	91.9	Very high	91.3	Very high	37 Å²	37	62 Å²	62	31%	0.306	32%	0.318	S	S	.	.	H	α-helix	trans	-60.1	-41.8	175.9	0	0	0	0	0	111.6	C492 R500	C492-A496 WeakPolarHBondContact O-CB 3.24Å; C492-A496 PolarHBondContact O-N 3.42Å; A496-R500 VanDerWaalsContact O-CG 3.31Å; A496-R500 WeakPolarHBondContact O-CG 3.11Å; A496-R500 PolarHBondContact O-N 3.37Å; A496-R500 VanDerWaalsContact O-N 3.08Å; A496-R500 PolarHBondContact O-NE 3.19Å
497	S	95	Very high	92	Very high	5 Å²	5	58.6 Å²	58.6	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-45.6	175.9	-167.2	0	0	0	0	112.2	T471 G474 P493 V494 Y495 S499 R500 A501	T471-S497 WeakPolarHBondContact CA-OG 3.46Å; T471-S497 VanDerWaalsContact O-CB 3.24Å; T471-S497 WeakPolarHBondContact O-CB 3.37Å; T471-S497 PolarHBondContact O-OG 3Å; G474-S497 VanDerWaalsContact CA-OG 3.26Å; G474-S497 WeakPolarHBondContact CA-OG 3.44Å; P493-S497 WeakPolarHBondContact O-CB 3.36Å; P493-S497 PolarHBondContact O-N 3.22Å; V494-S497 PolarHBondContact O-N 2.83Å; Y495-S497 VanDerWaalsContact C-N 3.3Å; Y495-S497 PolarHBondContact O-N 2.98Å; S497-S499 PolarHBondContact O-N 3.2Å; S497-R500 PolarHBondContact O-N 3.1Å; S497-A501 WeakPolarHBondContact O-CB 3.34Å; S497-A501 PolarHBondContact O-N 3.4Å
498	F	95.8	Very high	92.7	Very high	59 Å²	59	50.1 Å²	50.1	26%	0.259	26%	0.258	S	S	.	.	H	α-helix	trans	-59	-47.9	176.9	-179.2	-93.6	0	0	0	111.7	Y366 L467 T471 V494 Y495 R500 A501 M502	Y366-F498 HydrophobicContact CE2-CD2 4.22Å; L467-F498 HydrophobicContact CD1-CD2 4.25Å; L467-F498 HydrophobicContact CD1-CE2 4.16Å; L467-F498 HydrophobicContact CD2-CD2 4.44Å; L467-F498 HydrophobicContact CD2-CE2 3.6Å; L467-F498 HydrophobicContact CD2-CZ 4.15Å; L467-F498 HydrophobicContact CG-CD2 4.3Å; L467-F498 HydrophobicContact CG-CE2 3.93Å; T471-F498 HydrophobicContact CG2-CB 3.73Å; T471-F498 HydrophobicContact CG2-CD2 4.34Å; V494-F498 WeakPolarHBondContact O-CB 3.47Å; V494-F498 PolarHBondContact O-N 3.42Å; Y495-F498 PolarHBondContact O-N 3.28Å; F498-R500 VanDerWaalsContact C-N 3.35Å; F498-R500 PolarHBondContact O-N 3.41Å; F498-A501 WeakPolarHBondContact O-CB 3.33Å; F498-A501 PolarHBondContact O-N 3.37Å; F498-M502 HydrophobicContact CD1-CG 4.37Å; F498-M502 HydrophobicContact CE1-CG 3.91Å; F498-M502 HydrophobicContact CE2-CG 4.46Å; F498-M502 HydrophobicContact CZ-CG 3.96Å; F498-M502 PolarHBondContact O-N 2.89Å
499	S	94.4	Very high	93.3	Very high	50 Å²	50	47 Å²	47	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-43.9	178.3	-178.3	0	0	0	0	111.5	Y495 S497 M502 R503	Y495-S499 WeakPolarHBondContact O-CB 3.25Å; Y495-S499 PolarHBondContact O-N 2.87Å; S497-S499 PolarHBondContact O-N 3.2Å; S499-M502 PolarHBondContact O-N 2.98Å; S499-R503 WeakPolarHBondContact O-CB 3.35Å; S499-R503 PolarHBondContact O-N 3.46Å
500	R	94.1	Very high	93.8	Very high	21 Å²	21	45.9 Å²	45.9	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-41.2	175.2	-71.1	-179.6	-55.9	-153.4	5.5	112.2	Q29 A496 S497 F498 Y504	Q29-R500 VanDerWaalsContact CD-NH1 3.33Å; A496-R500 VanDerWaalsContact O-CG 3.31Å; A496-R500 WeakPolarHBondContact O-CG 3.11Å; A496-R500 PolarHBondContact O-N 3.37Å; A496-R500 VanDerWaalsContact O-N 3.08Å; A496-R500 PolarHBondContact O-NE 3.19Å; S497-R500 PolarHBondContact O-N 3.1Å; F498-R500 VanDerWaalsContact C-N 3.35Å; F498-R500 PolarHBondContact O-N 3.41Å; R500-Y504 HydrophobicContact CB-CD2 4.42Å; R500-Y504 WeakPolarHBondContact O-CB 3.48Å; R500-Y504 PolarHBondContact O-N 3.27Å
501	A	95.5	Very high	94.4	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-48.5	178.2	0	0	0	0	0	111.4	L467 S497 F498 H505 T506 L509	L467-A501 HydrophobicContact CD1-CB 3.87Å; S497-A501 WeakPolarHBondContact O-CB 3.34Å; S497-A501 PolarHBondContact O-N 3.4Å; F498-A501 WeakPolarHBondContact O-CB 3.33Å; F498-A501 PolarHBondContact O-N 3.37Å; A501-H505 CarbonylContact O-C 3.06Å; A501-H505 VanDerWaalsContact O-C 3.3Å; A501-H505 VanDerWaalsContact O-CA 3.32Å; A501-H505 WeakPolarHBondContact O-CA 3.27Å; A501-H505 WeakPolarHBondContact O-CB 3.42Å; A501-H505 PolarHBondContact O-N 3.11Å; A501-T506 PolarHBondContact O-N 3.35Å; A501-T506 VanDerWaalsContact O-N 3.13Å; A501-L509 HydrophobicContact CB-CD1 4.31Å
502	M	95.1	Very high	95.1	Very high	78 Å²	78	39.7 Å²	39.7	38%	0.384	19%	0.192	S	C	.	.	H	α-helix	trans	-67.1	-44.6	177.7	-74	-62.9	-67.5	0	0	112.8	L467 F498 S499 T506	L467-M502 HydrophobicContact CD1-CG 3.99Å; L467-M502 HydrophobicContact CD1-SD 3.84Å; L467-M502 HydrophobicContact CD2-CG 4.45Å; L467-M502 HydrophobicContact CD2-SD 3.7Å; L467-M502 HydrophobicContact CG-SD 4.43Å; F498-M502 HydrophobicContact CD1-CG 4.37Å; F498-M502 HydrophobicContact CE1-CG 3.91Å; F498-M502 HydrophobicContact CE2-CG 4.46Å; F498-M502 HydrophobicContact CZ-CG 3.96Å; F498-M502 PolarHBondContact O-N 2.89Å; S499-M502 PolarHBondContact O-N 2.98Å; M502-T506 PolarHBondContact O-OG1 3.43Å
503	R	94.8	Very high	95.6	Very high	176 Å²	176	36.1 Å²	36.1	66%	0.664	17%	0.168	S	C	*	.	H	α-helix	trans	-72.1	-41.2	-174.7	-175.5	171.4	-177	165.7	1.3	113.2	S499	S499-R503 WeakPolarHBondContact O-CB 3.35Å; S499-R503 PolarHBondContact O-N 3.46Å
504	Y	94.8	Very high	95.9	Very high	54 Å²	54	37.2 Å²	37.2	21%	0.212	17%	0.173	C	C	.	.	H	α-helix	trans	-110.8	-25.5	-170.4	-60	-72.1	0	0	0	113.9	R31 C33 T34 R500	R31-Y504 HydrophobicContact CB-CD1 4.18Å; R31-Y504 HydrophobicContact CB-CD2 4.15Å; R31-Y504 HydrophobicContact CB-CG 3.94Å; R31-Y504 WeakPolarHBondContact O-CE1 3.31Å; C33-Y504 CarbonylContact C-O 3.54Å; C33-Y504 WeakPolarHBondContact CA-O 3.43Å; T34-Y504 PolarHBondContact N-O 2.9Å; T34-Y504 PolarHBondContact OG1-O 2.91Å; R500-Y504 HydrophobicContact CB-CD2 4.42Å; R500-Y504 WeakPolarHBondContact O-CB 3.48Å; R500-Y504 PolarHBondContact O-N 3.27Å
505	H	96.6	Very high	96	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-121.6	8.4	-166.6	-59.2	-54.3	0	0	0	115	R31 T34 A501 G507 S508 L509 I570 G574	R31-H505 WeakPolarHBondContact CD-NE2 3.24Å; R31-H505 PolarHBondContact NH1-NE2 3.15Å; T34-H505 PolarHBondContact OG1-ND1 3.23Å; A501-H505 CarbonylContact O-C 3.06Å; A501-H505 VanDerWaalsContact O-C 3.3Å; A501-H505 VanDerWaalsContact O-CA 3.32Å; A501-H505 WeakPolarHBondContact O-CA 3.27Å; A501-H505 WeakPolarHBondContact O-CB 3.42Å; A501-H505 PolarHBondContact O-N 3.11Å; H505-G507 PolarHBondContact O-N 3.05Å; H505-S508 PolarHBondContact O-N 3.06Å; H505-L509 WeakPolarHBondContact O-CG 3.39Å; H505-L509 PolarHBondContact O-N 3.26Å; H505-I570 HydrophobicContact CB-CG2 4.02Å; H505-G574 PolarHBondContact CE1-O 3.49Å
506	T	97.1	Very high	96.2	Very high	16 Å²	16	31.9 Å²	31.9	10%	0.098	16%	0.155	C	C	.	.	H	α-helix	trans	-51.4	-41.2	175.8	-68	0	0	0	0	112.2	F42 F463 A501 M502 L509 A510	F42-T506 HydrophobicContact CD1-CG2 4.26Å; F463-T506 HydrophobicContact CE2-CG2 4.07Å; F463-T506 HydrophobicContact CZ-CG2 4.01Å; A501-T506 PolarHBondContact O-N 3.35Å; A501-T506 VanDerWaalsContact O-N 3.13Å; M502-T506 PolarHBondContact O-OG1 3.43Å; T506-L509 PolarHBondContact O-N 3.49Å; T506-A510 VanDerWaalsContact O-CB 3.23Å; T506-A510 WeakPolarHBondContact O-CB 3.48Å; T506-A510 PolarHBondContact O-N 3.48Å
507	G	96.8	Very high	96.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-44.5	176.6	0	0	0	0	0	113.6	D35 C38 H505 A510 F511	D35-G507 WeakPolarHBondContact O-CA 3.43Å; C38-G507 WeakPolarHBondContact CB-O 3.26Å; H505-G507 PolarHBondContact O-N 3.05Å; G507-A510 PolarHBondContact O-N 3.33Å; G507-F511 WeakPolarHBondContact O-CB 3.34Å; G507-F511 PolarHBondContact O-N 3.11Å
508	S	97.9	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-39.8	179	-54.6	0	0	0	0	112.2	T34 D35 H505 F511 G512	T34-S508 VanDerWaalsContact CB-OG 3.27Å; T34-S508 WeakPolarHBondContact CB-OG 3.34Å; T34-S508 PolarHBondContact OG1-OG 2.88Å; D35-S508 WeakPolarHBondContact OD2-CA 3.48Å; D35-S508 VanDerWaalsContact OD2-CB 3.28Å; D35-S508 WeakPolarHBondContact OD2-CB 3.33Å; D35-S508 PolarHBondContact OD2-OG 3.43Å; H505-S508 PolarHBondContact O-N 3.06Å; S508-F511 PolarHBondContact O-N 3.27Å; S508-G512 PolarHBondContact O-N 2.94Å
509	L	98.1	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68	-40.9	176.1	-60.6	177	0	0	0	111.2	F463 A466 L467 C470 A501 H505 T506 S513 Y567	F463-L509 HydrophobicContact CD2-CB 4.2Å; F463-L509 HydrophobicContact CE2-CB 3.91Å; A466-L509 HydrophobicContact CB-CB 4.34Å; A466-L509 HydrophobicContact CB-CD2 4.17Å; L467-L509 HydrophobicContact CB-CD1 4.33Å; L467-L509 HydrophobicContact CD1-CD1 3.96Å; C470-L509 HydrophobicContact CB-CD2 3.74Å; A501-L509 HydrophobicContact CB-CD1 4.31Å; H505-L509 WeakPolarHBondContact O-CG 3.39Å; H505-L509 PolarHBondContact O-N 3.26Å; T506-L509 PolarHBondContact O-N 3.49Å; L509-S513 VanDerWaalsContact O-CB 3.29Å; L509-S513 WeakPolarHBondContact O-CB 3.42Å; L509-S513 PolarHBondContact O-N 2.95Å; L509-S513 PolarHBondContact O-OG 2.83Å; L509-Y567 HydrophobicContact CD2-CD1 3.71Å; L509-Y567 HydrophobicContact CD2-CE1 3.9Å; L509-Y567 HydrophobicContact CD2-CG 4.28Å
510	A	97.9	Very high	96.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-42.3	174.7	0	0	0	0	0	111.7	F42 W459 F463 T506 G507 S513 L514	F42-A510 HydrophobicContact CB-CB 3.8Å; F42-A510 HydrophobicContact CD1-CB 4.16Å; F42-A510 HydrophobicContact CD2-CB 4.03Å; F42-A510 HydrophobicContact CG-CB 3.74Å; W459-A510 HydrophobicContact CZ2-CB 4.47Å; W459-A510 PolarHBondContact NE1-O 3Å; F463-A510 HydrophobicContact CD2-CB 4.24Å; F463-A510 HydrophobicContact CE2-CB 4.31Å; T506-A510 VanDerWaalsContact O-CB 3.23Å; T506-A510 WeakPolarHBondContact O-CB 3.48Å; T506-A510 PolarHBondContact O-N 3.48Å; G507-A510 PolarHBondContact O-N 3.33Å; A510-S513 WeakPolarHBondContact CA-OG 3.38Å; A510-S513 PolarHBondContact O-OG 3.45Å; A510-L514 VanDerWaalsContact O-CB 3.23Å; A510-L514 WeakPolarHBondContact O-CB 3.27Å; A510-L514 PolarHBondContact O-N 2.8Å
511	F	97.9	Very high	96.6	Very high	66 Å²	66	31.1 Å²	31.1	29%	0.289	14%	0.142	S	C	.	.	H	α-helix	trans	-65.7	-48.7	178.2	-176.7	-113.5	0	0	0	112.7	C38 G507 S508 S513 L514 L515 F577	C38-F511 HydrophobicContact CB-CB 4.08Å; C38-F511 VanDerWaalsContact SG-CD2 3.58Å; G507-F511 WeakPolarHBondContact O-CB 3.34Å; G507-F511 PolarHBondContact O-N 3.11Å; S508-F511 PolarHBondContact O-N 3.27Å; F511-S513 VanDerWaalsContact C-N 3.34Å; F511-S513 PolarHBondContact O-N 3.47Å; F511-L514 WeakPolarHBondContact O-CB 3.38Å; F511-L514 PolarHBondContact O-N 2.75Å; F511-L515 PolarHBondContact O-N 2.93Å; F511-L515 VanDerWaalsContact O-N 3.12Å; F511-F577 HydrophobicContact CD1-CB 3.95Å; F511-F577 AromaticContact CD1-CD1 3.33Å; F511-F577 HydrophobicContact CD1-CD1 3.33Å; F511-F577 AromaticContact CD1-CE1 3.96Å; F511-F577 HydrophobicContact CD1-CE1 3.96Å; F511-F577 AromaticContact CD1-CG 3.73Å; F511-F577 HydrophobicContact CD1-CG 3.73Å; F511-F577 AromaticContact CE1-CD1 3.52Å; F511-F577 HydrophobicContact CE1-CD1 3.52Å; F511-F577 AromaticContact CE1-CE1 3.96Å; F511-F577 HydrophobicContact CE1-CE1 3.96Å; F511-F577 HydrophobicContact CE1-CG 4.37Å
512	G	96.9	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-39.6	177.5	0	0	0	0	0	112.9	S508 L516 N563 Y567	S508-G512 PolarHBondContact O-N 2.94Å; G512-L516 PolarHBondContact O-N 3.36Å; G512-N563 PolarHBondContact O-ND2 3.39Å; G512-Y567 VanDerWaalsContact C-OH 3.28Å; G512-Y567 WeakPolarHBondContact CA-OH 3.06Å
513	S	97.9	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.9	-33.3	175.8	54.9	0	0	0	0	113.3	W459 N462 L509 A510 F511 L516 A517 Y567	W459-S513 PolarHBondContact NE1-OG 3.06Å; N462-S513 VanDerWaalsContact C-CB 3.46Å; L509-S513 VanDerWaalsContact O-CB 3.29Å; L509-S513 WeakPolarHBondContact O-CB 3.42Å; L509-S513 PolarHBondContact O-N 2.95Å; L509-S513 PolarHBondContact O-OG 2.83Å; A510-S513 WeakPolarHBondContact CA-OG 3.38Å; A510-S513 PolarHBondContact O-OG 3.45Å; F511-S513 VanDerWaalsContact C-N 3.34Å; F511-S513 PolarHBondContact O-N 3.47Å; S513-L516 PolarHBondContact O-N 3.03Å; S513-A517 WeakPolarHBondContact O-CB 3.46Å; S513-A517 PolarHBondContact O-N 3.05Å; S513-Y567 PolarHBondContact N-OH 2.94Å
514	L	97.7	Very high	96.2	Very high	32 Å²	32	29.3 Å²	29.3	17%	0.168	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-47.4	174.6	180	61.3	0	0	0	111	F455 W459 A510 F511 L516 A517 M518	F455-L514 HydrophobicContact CE1-CD1 4.19Å; F455-L514 HydrophobicContact CZ-CD1 3.67Å; W459-L514 HydrophobicContact CD2-CB 4.4Å; W459-L514 HydrophobicContact CD2-CD1 3.75Å; W459-L514 HydrophobicContact CE3-CD1 3.86Å; W459-L514 HydrophobicContact CG-CD1 4.34Å; W459-L514 HydrophobicContact CH2-CD1 3.98Å; W459-L514 HydrophobicContact CH2-CD2 4.25Å; W459-L514 HydrophobicContact CZ2-CB 3.85Å; W459-L514 HydrophobicContact CZ2-CD1 3.88Å; W459-L514 HydrophobicContact CZ2-CD2 4.06Å; W459-L514 HydrophobicContact CZ2-CG 4.14Å; W459-L514 HydrophobicContact CZ3-CD1 3.96Å; A510-L514 VanDerWaalsContact O-CB 3.23Å; A510-L514 WeakPolarHBondContact O-CB 3.27Å; A510-L514 PolarHBondContact O-N 2.8Å; F511-L514 WeakPolarHBondContact O-CB 3.38Å; F511-L514 PolarHBondContact O-N 2.75Å; L514-L516 VanDerWaalsContact C-N 3.27Å; L514-L516 PolarHBondContact O-N 3.23Å; L514-A517 PolarHBondContact O-N 3.02Å; L514-M518 HydrophobicContact CD1-CE 3.95Å; L514-M518 HydrophobicContact CD1-CG 4.44Å; L514-M518 HydrophobicContact CD2-CE 4.15Å; L514-M518 HydrophobicContact CG-CE 3.93Å; L514-M518 HydrophobicContact CG-SD 4.45Å; L514-M518 WeakPolarHBondContact O-CG 3.48Å; L514-M518 PolarHBondContact O-N 3.5Å
515	L	96.8	Very high	96	Very high	59 Å²	59	30.5 Å²	30.5	31%	0.309	15%	0.151	S	C	.	.	H	α-helix	trans	-57.9	-42.8	178.2	-177	61.9	0	0	0	111.3	F511 V519 I559	F511-L515 PolarHBondContact O-N 2.93Å; F511-L515 VanDerWaalsContact O-N 3.12Å; L515-V519 WeakPolarHBondContact O-CG2 3.42Å; L515-V519 PolarHBondContact O-N 2.97Å; L515-I559 HydrophobicContact CD2-CD1 3.77Å; L515-I559 HydrophobicContact CD2-CG1 4.47Å; L515-I559 HydrophobicContact CD2-CG2 4.11Å; L515-I559 HydrophobicContact CG-CD1 4.25Å; L515-I559 HydrophobicContact CG-CG1 4.48Å; L515-I559 HydrophobicContact CG-CG2 4.04Å
516	L	96.8	Very high	95.5	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-67.5	-42.3	177	-177.1	54.7	0	0	0	112.1	N462 G512 S513 L514 M518 V519 Q520 E556 I559 K560	N462-L516 HydrophobicContact CB-CD2 4.47Å; N462-L516 WeakPolarHBondContact OD1-CD2 3.38Å; G512-L516 PolarHBondContact O-N 3.36Å; S513-L516 PolarHBondContact O-N 3.03Å; L514-L516 VanDerWaalsContact C-N 3.27Å; L514-L516 PolarHBondContact O-N 3.23Å; L516-M518 PolarHBondContact O-N 3.09Å; L516-V519 PolarHBondContact O-N 3.01Å; L516-Q520 HydrophobicContact CD1-CG 4.38Å; L516-Q520 WeakPolarHBondContact O-CG 3.2Å; L516-Q520 PolarHBondContact O-N 3.38Å; L516-E556 HydrophobicContact CD1-CG 3.89Å; L516-I559 HydrophobicContact CB-CG2 4.14Å; L516-I559 HydrophobicContact CD1-CG2 4.22Å; L516-K560 HydrophobicContact CD1-CD 4.44Å; L516-K560 HydrophobicContact CD1-CG 3.76Å; L516-K560 HydrophobicContact CD2-CG 3.85Å
517	A	97.2	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.5	-38.5	177.9	0	0	0	0	0	112.5	L458 W459 S513 L514 Q520 M521	L458-A517 HydrophobicContact CB-CB 4.2Å; W459-A517 HydrophobicContact CB-CB 3.97Å; W459-A517 HydrophobicContact CG-CB 4.48Å; S513-A517 WeakPolarHBondContact O-CB 3.46Å; S513-A517 PolarHBondContact O-N 3.05Å; L514-A517 PolarHBondContact O-N 3.02Å; A517-Q520 PolarHBondContact O-N 3.47Å; A517-M521 WeakPolarHBondContact O-CB 3.44Å; A517-M521 PolarHBondContact O-N 2.89Å
518	M	96.3	Very high	94.4	Very high	89 Å²	89	38.5 Å²	38.5	44%	0.438	19%	0.191	S	C	.	.	H	α-helix	trans	-60.3	-48.5	174.6	-74	-179.4	171.9	0	0	112	F455 L514 L516 Q520 M521 I522	F455-M518 HydrophobicContact CE2-CG 4Å; F455-M518 HydrophobicContact CZ-CG 4.14Å; L514-M518 HydrophobicContact CD1-CE 3.95Å; L514-M518 HydrophobicContact CD1-CG 4.44Å; L514-M518 HydrophobicContact CD2-CE 4.15Å; L514-M518 HydrophobicContact CG-CE 3.93Å; L514-M518 HydrophobicContact CG-SD 4.45Å; L514-M518 WeakPolarHBondContact O-CG 3.48Å; L514-M518 PolarHBondContact O-N 3.5Å; L516-M518 PolarHBondContact O-N 3.09Å; M518-Q520 VanDerWaalsContact C-N 3.32Å; M518-Q520 PolarHBondContact O-N 3.13Å; M518-M521 PolarHBondContact O-N 3.15Å; M518-I522 WeakPolarHBondContact O-CG1 3.32Å; M518-I522 PolarHBondContact O-N 3.38Å
519	V	95.9	Very high	93.8	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-40.6	177.9	174.6	0	0	0	0	111.1	L515 L516 I522 R523 F552 L555 E556 I559	L515-V519 WeakPolarHBondContact O-CG2 3.42Å; L515-V519 PolarHBondContact O-N 2.97Å; L516-V519 PolarHBondContact O-N 3.01Å; V519-I522 PolarHBondContact O-N 3.07Å; V519-R523 PolarHBondContact O-N 2.93Å; V519-F552 HydrophobicContact CG1-CD1 4.28Å; V519-L555 HydrophobicContact CG1-CB 4.38Å; V519-L555 HydrophobicContact CG1-CD2 4.22Å; V519-L555 HydrophobicContact CG1-CG 4.13Å; V519-L555 HydrophobicContact CG2-CD2 3.82Å; V519-L555 HydrophobicContact CG2-CG 4.06Å; V519-E556 HydrophobicContact CG1-CB 3.82Å; V519-E556 HydrophobicContact CG1-CG 4.43Å; V519-I559 HydrophobicContact CG2-CG1 4.43Å
520	Q	95.7	Very high	93	Very high	31 Å²	31	45.1 Å²	45.1	15%	0.145	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-40.6	176	-74.5	-179.4	-27.5	0	0	112.7	L458 N462 L516 A517 M518 R523 I524 E556	L458-Q520 HydrophobicContact CD1-CB 4.34Å; N462-Q520 PolarHBondContact ND2-OE1 3.25Å; L516-Q520 HydrophobicContact CD1-CG 4.38Å; L516-Q520 WeakPolarHBondContact O-CG 3.2Å; L516-Q520 PolarHBondContact O-N 3.38Å; A517-Q520 PolarHBondContact O-N 3.47Å; M518-Q520 VanDerWaalsContact C-N 3.32Å; M518-Q520 PolarHBondContact O-N 3.13Å; Q520-R523 WeakPolarHBondContact O-CB 3.49Å; Q520-R523 PolarHBondContact O-N 3.04Å; Q520-I524 WeakPolarHBondContact O-CG1 3.47Å; Q520-I524 PolarHBondContact O-N 3.39Å; Q520-E556 HydrophobicContact CG-CG 4.22Å; Q520-E556 PolarHBondContact NE2-OE1 3.11Å
521	M	94.9	Very high	92.1	Very high	27 Å²	27	50.2 Å²	50.2	13%	0.133	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-46.2	176.6	-170.5	64.6	-120.6	0	0	110.9	L454 F455 L458 A517 M518 R523 I524 V525	L454-M521 HydrophobicContact CD2-CE 4.03Å; L454-M521 HydrophobicContact CD2-SD 4.19Å; L454-M521 HydrophobicContact CG-SD 4.32Å; F455-M521 HydrophobicContact CB-SD 4.47Å; F455-M521 HydrophobicContact CD2-CB 4.11Å; F455-M521 HydrophobicContact CD2-CG 4.14Å; L458-M521 HydrophobicContact CD1-SD 4.31Å; A517-M521 WeakPolarHBondContact O-CB 3.44Å; A517-M521 PolarHBondContact O-N 2.89Å; M518-M521 PolarHBondContact O-N 3.15Å; M521-R523 VanDerWaalsContact C-N 3.3Å; M521-R523 PolarHBondContact O-N 2.86Å; M521-I524 HydrophobicContact CE-CB 4.38Å; M521-I524 HydrophobicContact CE-CG2 4.3Å; M521-I524 PolarHBondContact O-N 2.83Å; M521-V525 HydrophobicContact CE-CG2 3.61Å; M521-V525 WeakPolarHBondContact O-CG2 3.47Å; M521-V525 PolarHBondContact O-N 3.39Å
522	I	93.4	Very high	91.3	Very high	71 Å²	71	55.6 Å²	55.6	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-43.7	176.3	-64	164.5	0	0	0	110.5	M518 V519 I524 V525 L526 F552	M518-I522 WeakPolarHBondContact O-CG1 3.32Å; M518-I522 PolarHBondContact O-N 3.38Å; V519-I522 PolarHBondContact O-N 3.07Å; I522-I524 VanDerWaalsContact C-N 3.35Å; I522-I524 PolarHBondContact O-N 3.45Å; I522-V525 PolarHBondContact O-N 3.27Å; I522-L526 HydrophobicContact CG2-CD1 4.07Å; I522-L526 HydrophobicContact CG2-CG 4.25Å; I522-L526 WeakPolarHBondContact O-CG 3.2Å; I522-L526 PolarHBondContact O-N 2.93Å; I522-F552 HydrophobicContact CB-CD1 4.09Å; I522-F552 HydrophobicContact CB-CE1 3.93Å; I522-F552 HydrophobicContact CD1-CE1 3.65Å; I522-F552 HydrophobicContact CD1-CZ 4.18Å; I522-F552 HydrophobicContact CG1-CE1 4.38Å; I522-F552 HydrophobicContact CG2-CD1 3.7Å; I522-F552 HydrophobicContact CG2-CD2 4.18Å; I522-F552 HydrophobicContact CG2-CE1 3.46Å; I522-F552 VanDerWaalsContact CG2-CE1 3.46Å; I522-F552 HydrophobicContact CG2-CE2 3.95Å; I522-F552 HydrophobicContact CG2-CG 4.07Å; I522-F552 HydrophobicContact CG2-CZ 3.6Å
523	R	92.5	Very high	90.2	Very high	94 Å²	94	57.7 Å²	57.7	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-59.7	-42.9	177	-175.3	179.8	172.5	-167.3	-6	112.4	V519 Q520 M521 L526 E527 E556	V519-R523 PolarHBondContact O-N 2.93Å; Q520-R523 WeakPolarHBondContact O-CB 3.49Å; Q520-R523 PolarHBondContact O-N 3.04Å; M521-R523 VanDerWaalsContact C-N 3.3Å; M521-R523 PolarHBondContact O-N 2.86Å; R523-L526 PolarHBondContact O-N 3.48Å; R523-E527 PolarHBondContact O-N 3.2Å; R523-E556 VanDerWaalsContact CD-OE2 3.24Å; R523-E556 WeakPolarHBondContact CD-OE2 3.46Å; R523-E556 IonicContact CZ-OE2 2.73Å; R523-E556 IonicContact NE-OE2 2.76Å; R523-E556 IonicContact NH1-OE1 3.63Å; R523-E556 IonicContact NH1-OE2 3.81Å; R523-E556 PolarHBondContact NH1-OE2 3.31Å
524	I	91.3	Very high	88.7	Confident	54 Å²	54	65.2 Å²	65.2	28%	0.277	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-42.7	176.4	-67.9	164.7	0	0	0	110.7	L454 L458 Q520 M521 I522 E527 N528	L454-I524 HydrophobicContact CD2-CG2 4.35Å; L458-I524 HydrophobicContact CD1-CD1 3.68Å; L458-I524 HydrophobicContact CD2-CD1 4.42Å; Q520-I524 WeakPolarHBondContact O-CG1 3.47Å; Q520-I524 PolarHBondContact O-N 3.39Å; M521-I524 HydrophobicContact CE-CB 4.38Å; M521-I524 HydrophobicContact CE-CG2 4.3Å; M521-I524 PolarHBondContact O-N 2.83Å; I522-I524 VanDerWaalsContact C-N 3.35Å; I522-I524 PolarHBondContact O-N 3.45Å; I524-E527 PolarHBondContact O-N 3.38Å; I524-N528 PolarHBondContact O-N 2.84Å; I524-N528 PolarHBondContact O-ND2 2.9Å
525	V	89.6	Confident	87.1	Confident	78 Å²	78	72.5 Å²	72.5	47%	0.473	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-43.5	176.4	176.8	0	0	0	0	111.5	M521 I522 E527 N528 L529	M521-V525 HydrophobicContact CE-CG2 3.61Å; M521-V525 WeakPolarHBondContact O-CG2 3.47Å; M521-V525 PolarHBondContact O-N 3.39Å; I522-V525 PolarHBondContact O-N 3.27Å; V525-E527 VanDerWaalsContact C-N 3.28Å; V525-E527 PolarHBondContact O-N 3.07Å; V525-N528 PolarHBondContact O-N 3.49Å; V525-L529 WeakPolarHBondContact O-CB 3.45Å; V525-L529 PolarHBondContact O-N 3.24Å
526	L	87.7	Confident	85.5	Confident	17 Å²	17	71.9 Å²	71.9	9%	0.089	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-35.3	176.7	-69.4	176.2	0	0	0	112.3	I522 R523 H530 L545 L548 K549 F552	I522-L526 HydrophobicContact CG2-CD1 4.07Å; I522-L526 HydrophobicContact CG2-CG 4.25Å; I522-L526 WeakPolarHBondContact O-CG 3.2Å; I522-L526 PolarHBondContact O-N 2.93Å; R523-L526 PolarHBondContact O-N 3.48Å; L526-H530 WeakPolarHBondContact O-CB 3.47Å; L526-H530 PolarHBondContact O-N 2.82Å; L526-H530 VanDerWaalsContact O-N 3.09Å; L526-L545 HydrophobicContact CB-CD1 4.37Å; L526-L545 HydrophobicContact CD2-CD1 3.89Å; L526-L548 HydrophobicContact CD1-CB 4.06Å; L526-L548 HydrophobicContact CD2-CB 4.35Å; L526-L548 HydrophobicContact CD2-CD1 4.26Å; L526-K549 HydrophobicContact CB-CG 4.24Å; L526-K549 WeakPolarHBondContact O-CE 3.31Å; L526-F552 HydrophobicContact CD1-CB 4.22Å; L526-F552 HydrophobicContact CD1-CD2 3.58Å; L526-F552 HydrophobicContact CD1-CE2 4.23Å; L526-F552 HydrophobicContact CD1-CG 4.03Å
527	E	87.1	Confident	83.6	Confident	82 Å²	82	79.8 Å²	79.8	38%	0.383	39%	0.387	S	S	.	.	H	α-helix	trans	-67	-46.8	174.5	-162.3	58.5	-127	0	0	111.4	R523 I524 V525 L529 H530 L531 K549	R523-E527 PolarHBondContact O-N 3.2Å; I524-E527 PolarHBondContact O-N 3.38Å; V525-E527 VanDerWaalsContact C-N 3.28Å; V525-E527 PolarHBondContact O-N 3.07Å; E527-L529 VanDerWaalsContact C-N 3.32Å; E527-L529 PolarHBondContact O-N 2.89Å; E527-H530 WeakPolarHBondContact O-CB 3.39Å; E527-H530 PolarHBondContact O-N 2.84Å; E527-H530 VanDerWaalsContact O-N 3.13Å; E527-L531 PolarHBondContact O-N 3.3Å; E527-L531 VanDerWaalsContact O-N 3.09Å; E527-K549 IonicContact OE1-NZ 2.65Å; E527-K549 PolarHBondContact OE1-NZ 3.1Å; E527-K549 VanDerWaalsContact OE2-CE 3.23Å; E527-K549 WeakPolarHBondContact OE2-CE 3.23Å; E527-K549 IonicContact OE2-NZ 2.77Å; E527-K549 PolarHBondContact OE2-NZ 2.85Å
528	N	83.7	Confident	82.6	Confident	87 Å²	87	82.7 Å²	82.7	47%	0.465	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-40.3	176.4	-72.3	-23.7	0	0	0	112.3	I524 V525 H530 L531 K532	I524-N528 PolarHBondContact O-N 2.84Å; I524-N528 PolarHBondContact O-ND2 2.9Å; V525-N528 PolarHBondContact O-N 3.49Å; N528-H530 VanDerWaalsContact C-N 3.3Å; N528-H530 PolarHBondContact O-N 2.9Å; N528-L531 PolarHBondContact O-N 2.98Å; N528-K532 PolarHBondContact O-N 3.36Å; N528-K532 VanDerWaalsContact O-N 3.12Å
529	L	84.4	Confident	81.8	Confident	79 Å²	79	83.3 Å²	83.3	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-64	-37.6	176.7	-175.8	60.7	0	0	0	111.3	V525 E527 K532 L533 L545	V525-L529 WeakPolarHBondContact O-CB 3.45Å; V525-L529 PolarHBondContact O-N 3.24Å; E527-L529 VanDerWaalsContact C-N 3.32Å; E527-L529 PolarHBondContact O-N 2.89Å; L529-K532 PolarHBondContact O-N 3.5Å; L529-L533 HydrophobicContact CD1-CD1 3.7Å; L529-L533 HydrophobicContact CD1-CG 4.07Å; L529-L533 HydrophobicContact CD2-CD1 4.31Å; L529-L533 HydrophobicContact CG-CD1 3.67Å; L529-L533 HydrophobicContact CG-CG 4.38Å; L529-L533 WeakPolarHBondContact O-CB 3.24Å; L529-L533 WeakPolarHBondContact O-CG 3.47Å; L529-L533 PolarHBondContact O-N 3.22Å; L529-L545 HydrophobicContact CD2-CD1 4.18Å; L529-L545 HydrophobicContact CG-CD2 4.48Å
530	H	81.6	Confident	81.1	Confident	60 Å²	60	89.6 Å²	89.6	28%	0.278	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-40.2	177	-178.3	75.4	0	0	0	112.9	L526 E527 N528 L533 K534 L545 K549	L526-H530 WeakPolarHBondContact O-CB 3.47Å; L526-H530 PolarHBondContact O-N 2.82Å; L526-H530 VanDerWaalsContact O-N 3.09Å; E527-H530 WeakPolarHBondContact O-CB 3.39Å; E527-H530 PolarHBondContact O-N 2.84Å; E527-H530 VanDerWaalsContact O-N 3.13Å; N528-H530 VanDerWaalsContact C-N 3.3Å; N528-H530 PolarHBondContact O-N 2.9Å; H530-L533 PolarHBondContact O-N 3.13Å; H530-K534 PolarHBondContact O-N 3.04Å; H530-K534 VanDerWaalsContact O-N 3.16Å; H530-L545 HydrophobicContact CB-CD2 3.52Å; H530-L545 HydrophobicContact CB-CG 4.19Å; H530-K549 PolarHBondContact CD2-NZ 3.06Å
531	L	79.6	Confident	80.4	Confident	107 Å²	107	90 Å²	90	56%	0.56	46%	0.457	S	S	*	.	H	α-helix	trans	-62.8	-43.8	175.1	-67.1	173.6	0	0	0	111.2	E527 N528 K534	E527-L531 PolarHBondContact O-N 3.3Å; E527-L531 VanDerWaalsContact O-N 3.09Å; N528-L531 PolarHBondContact O-N 2.98Å; L531-K534 WeakPolarHBondContact O-CB 3.29Å; L531-K534 PolarHBondContact O-N 3.09Å
532	K	79.8	Confident	79.7	Confident	180 Å²	180	94.8 Å²	94.8	78%	0.783	47%	0.473	S	S	*	.	H	α-helix	trans	-67.9	-34.3	177.8	-70.8	-172.8	178.4	-170.4	0	113.3	N528 L529 K534	N528-K532 PolarHBondContact O-N 3.36Å; N528-K532 VanDerWaalsContact O-N 3.12Å; L529-K532 PolarHBondContact O-N 3.5Å; K532-K534 VanDerWaalsContact C-N 3.33Å
533	L	74.6	Confident	79.3	Confident	43 Å²	43	98.3 Å²	98.3	23%	0.225	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-87.6	4	-179.1	-69.4	172.4	0	0	0	113.9	L529 H530 H535 S536 L545	L529-L533 HydrophobicContact CD1-CD1 3.7Å; L529-L533 HydrophobicContact CD1-CG 4.07Å; L529-L533 HydrophobicContact CD2-CD1 4.31Å; L529-L533 HydrophobicContact CG-CD1 3.67Å; L529-L533 HydrophobicContact CG-CG 4.38Å; L529-L533 WeakPolarHBondContact O-CB 3.24Å; L529-L533 WeakPolarHBondContact O-CG 3.47Å; L529-L533 PolarHBondContact O-N 3.22Å; H530-L533 PolarHBondContact O-N 3.13Å; L533-H535 PolarHBondContact O-N 3.49Å; L533-H535 VanDerWaalsContact O-N 3.16Å; L533-S536 WeakPolarHBondContact O-CB 3.5Å; L533-S536 PolarHBondContact O-N 3.35Å; L533-L545 HydrophobicContact CD1-CD2 4.22Å
534	K	66.9	Low	79	Confident	158 Å²	158	98.6 Å²	98.6	69%	0.687	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.2	179.7	-159	177	-179.4	-174.9	0	112.8	H530 L531 K532	H530-K534 PolarHBondContact O-N 3.04Å; H530-K534 VanDerWaalsContact O-N 3.16Å; L531-K534 WeakPolarHBondContact O-CB 3.29Å; L531-K534 PolarHBondContact O-N 3.09Å; K532-K534 VanDerWaalsContact C-N 3.33Å
535	H	63.2	Low	78.8	Confident	185 Å²	185	96.3 Å²	96.3	86%	0.856	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-95.9	-0.6	174.4	-79.1	-73.3	0	0	0	114.8	L533	L533-H535 PolarHBondContact O-N 3.49Å; L533-H535 VanDerWaalsContact O-N 3.16Å
536	S	63.3	Low	78.6	Confident	46 Å²	46	98.8 Å²	98.8	32%	0.322	49%	0.489	S	S	.	.			trans	-82.1	138.9	-178.8	-172.4	0	0	0	0	112	L533	L533-S536 WeakPolarHBondContact O-CB 3.5Å; L533-S536 PolarHBondContact O-N 3.35Å
537	Q	57.8	Low	78.7	Confident	180 Å²	180	100.9 Å²	100.9	84%	0.841	50%	0.504	S	S	*	.			trans	-80.7	-22.2	-168.5	-66.3	-149.8	-3.4	0	0	115.2	C539 R542	Q537-C539 PolarHBondContact O-N 3.39Å; Q537-R542 PolarHBondContact O-NH2 3Å; Q537-R542 VanDerWaalsContact O-NH2 3.13Å
538	S	76.1	Confident	78.8	Confident	61 Å²	61	99.9 Å²	99.9	43%	0.427	50%	0.501	S	S	.	.			trans	-75.1	120.3	-171.7	67.1	0	0	0	0	113.2	M540 S541	S538-M540 VanDerWaalsContact C-N 3.3Å; S538-M540 PolarHBondContact O-N 3.35Å; S538-S541 PolarHBondContact O-N 3.46Å; S538-S541 VanDerWaalsContact OG-CB 3.29Å; S538-S541 WeakPolarHBondContact OG-CB 3.24Å
539	C	78.6	Confident	79	Confident	101 Å²	101	97.4 Å²	97.4	68%	0.682	49%	0.486	S	S	*	.	H	α-helix	trans	-60.4	-39	178.2	-174.2	0	0	0	0	112.1	Q537 S541 R542 F543	Q537-C539 PolarHBondContact O-N 3.39Å; C539-S541 PolarHBondContact O-N 3Å; C539-R542 PolarHBondContact O-N 3.46Å; C539-F543 PolarHBondContact O-N 3.04Å
540	M	81.7	Confident	79.3	Confident	140 Å²	140	97 Å²	97	69%	0.69	49%	0.489	S	S	*	.	H	α-helix	trans	-61.6	-43.4	-178.8	-174	60.9	74	0	0	113.1	S538 R542 F543 L544	S538-M540 VanDerWaalsContact C-N 3.3Å; S538-M540 PolarHBondContact O-N 3.35Å; M540-R542 VanDerWaalsContact C-N 3.34Å; M540-R542 PolarHBondContact O-N 3.15Å; M540-F543 PolarHBondContact O-N 2.95Å; M540-L544 WeakPolarHBondContact O-CB 3.36Å; M540-L544 PolarHBondContact O-N 2.86Å
541	S	80.3	Confident	79.8	Confident	41 Å²	41	97.5 Å²	97.5	29%	0.287	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-39.8	179.1	-177.4	0	0	0	0	111.6	S538 C539 L545	S538-S541 PolarHBondContact O-N 3.46Å; S538-S541 VanDerWaalsContact OG-CB 3.29Å; S538-S541 WeakPolarHBondContact OG-CB 3.24Å; C539-S541 PolarHBondContact O-N 3Å; S541-L545 VanDerWaalsContact O-CB 3.27Å; S541-L545 WeakPolarHBondContact O-CB 3.44Å; S541-L545 PolarHBondContact O-N 2.96Å
542	R	81	Confident	80.3	Confident	127 Å²	127	94.5 Å²	94.5	48%	0.479	48%	0.481	S	S	.	.	H	α-helix	trans	-64.6	-43.7	176.1	-76	-174.5	-90.3	177.3	-6	112.3	Q537 C539 M540 H546	Q537-R542 PolarHBondContact O-NH2 3Å; Q537-R542 VanDerWaalsContact O-NH2 3.13Å; C539-R542 PolarHBondContact O-N 3.46Å; M540-R542 VanDerWaalsContact C-N 3.34Å; M540-R542 PolarHBondContact O-N 3.15Å; R542-H546 PolarHBondContact O-N 3.09Å; R542-H546 VanDerWaalsContact O-N 3.11Å
543	F	85.3	Confident	80.9	Confident	144 Å²	144	91.5 Å²	91.5	63%	0.632	47%	0.465	S	S	*	.	H	α-helix	trans	-62.8	-50.1	176.5	175.6	-101.2	0	0	0	112.1	C539 M540 L545 H546 C547	C539-F543 PolarHBondContact O-N 3.04Å; M540-F543 PolarHBondContact O-N 2.95Å; F543-L545 VanDerWaalsContact C-N 3.3Å; F543-L545 PolarHBondContact O-N 3.27Å; F543-H546 PolarHBondContact O-N 3.13Å; F543-H546 VanDerWaalsContact O-N 3.15Å; F543-C547 PolarHBondContact O-N 3.39Å
544	L	86.2	Confident	81.7	Confident	100 Å²	100	92.3 Å²	92.3	52%	0.524	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-39.5	-179.2	-173	131.7	0	0	0	111.8	M540 C547 L548	M540-L544 WeakPolarHBondContact O-CB 3.36Å; M540-L544 PolarHBondContact O-N 2.86Å; L544-C547 PolarHBondContact O-N 3.48Å; L544-L548 HydrophobicContact CD2-CD1 3.6Å; L544-L548 HydrophobicContact CD2-CG 4.29Å; L544-L548 HydrophobicContact CG-CD1 4.43Å; L544-L548 WeakPolarHBondContact O-CG 3.28Å; L544-L548 PolarHBondContact O-N 2.76Å
545	L	85.8	Confident	82.9	Confident	6 Å²	6	88 Å²	88	3%	0.031	46%	0.457	C	S	.	.	H	α-helix	trans	-66.1	-38.8	176.7	-171.4	57.4	0	0	0	112.6	L526 L529 H530 L533 S541 F543 K549	L526-L545 HydrophobicContact CB-CD1 4.37Å; L526-L545 HydrophobicContact CD2-CD1 3.89Å; L529-L545 HydrophobicContact CD2-CD1 4.18Å; L529-L545 HydrophobicContact CG-CD2 4.48Å; H530-L545 HydrophobicContact CB-CD2 3.52Å; H530-L545 HydrophobicContact CB-CG 4.19Å; L533-L545 HydrophobicContact CD1-CD2 4.22Å; S541-L545 VanDerWaalsContact O-CB 3.27Å; S541-L545 WeakPolarHBondContact O-CB 3.44Å; S541-L545 PolarHBondContact O-N 2.96Å; F543-L545 VanDerWaalsContact C-N 3.3Å; F543-L545 PolarHBondContact O-N 3.27Å; L545-K549 WeakPolarHBondContact O-CB 3.41Å; L545-K549 VanDerWaalsContact O-CG 3.29Å; L545-K549 WeakPolarHBondContact O-CG 3.33Å; L545-K549 PolarHBondContact O-N 2.76Å
546	H	86.1	Confident	84.4	Confident	131 Å²	131	79.7 Å²	79.7	61%	0.606	42%	0.419	S	S	*	.	H	α-helix	trans	-65.2	-41.8	175.1	-161.2	83.4	0	0	0	111.6	R542 F543 K549 C550	R542-H546 PolarHBondContact O-N 3.09Å; R542-H546 VanDerWaalsContact O-N 3.11Å; F543-H546 PolarHBondContact O-N 3.13Å; F543-H546 VanDerWaalsContact O-N 3.15Å; H546-K549 PolarHBondContact O-N 3.12Å; H546-C550 PolarHBondContact O-N 3.09Å; H546-C550 VanDerWaalsContact O-N 3.1Å
547	C	89.1	Confident	85.7	Confident	61 Å²	61	84.9 Å²	84.9	41%	0.412	43%	0.431	S	S	.	.	H	α-helix	trans	-61.7	-50.6	175	-173.7	0	0	0	0	111.6	F543 L544 K549 C550 C551	F543-C547 PolarHBondContact O-N 3.39Å; L544-C547 PolarHBondContact O-N 3.48Å; C547-K549 VanDerWaalsContact C-N 3.34Å; C547-K549 PolarHBondContact O-N 3.46Å; C547-C550 WeakPolarHBondContact O-CB 3.46Å; C547-C550 PolarHBondContact O-N 3.11Å; C547-C550 VanDerWaalsContact O-N 3.11Å; C547-C551 PolarHBondContact O-N 3.02Å; C547-C551 PolarHBondContact O-SG 3.35Å; C547-C551 VanDerWaalsContact O-SG 3.35Å
548	L	89.6	Confident	87.3	Confident	61 Å²	61	80.9 Å²	80.9	32%	0.319	41%	0.411	S	S	.	.	H	α-helix	trans	-59.1	-42.8	177.6	-73.5	176.1	0	0	0	112.1	L526 L544 C550 C551 F552	L526-L548 HydrophobicContact CD1-CB 4.06Å; L526-L548 HydrophobicContact CD2-CB 4.35Å; L526-L548 HydrophobicContact CD2-CD1 4.26Å; L544-L548 HydrophobicContact CD2-CD1 3.6Å; L544-L548 HydrophobicContact CD2-CG 4.29Å; L544-L548 HydrophobicContact CG-CD1 4.43Å; L544-L548 WeakPolarHBondContact O-CG 3.28Å; L544-L548 PolarHBondContact O-N 2.76Å; L548-C550 VanDerWaalsContact C-N 3.32Å; L548-C550 PolarHBondContact O-N 3.15Å; L548-C551 PolarHBondContact O-N 3.35Å; L548-F552 HydrophobicContact CD2-CE2 4.38Å; L548-F552 WeakPolarHBondContact O-CD2 3.38Å; L548-F552 PolarHBondContact O-N 2.99Å
549	K	88.4	Confident	88.2	Confident	35 Å²	35	78.5 Å²	78.5	15%	0.152	39%	0.394	C	S	.	.	H	α-helix	trans	-56.8	-45.6	174.7	-80.2	-178	171	-160.2	0	112	L526 E527 H530 L545 H546 C547 W553	L526-K549 HydrophobicContact CB-CG 4.24Å; L526-K549 WeakPolarHBondContact O-CE 3.31Å; E527-K549 IonicContact OE1-NZ 2.65Å; E527-K549 PolarHBondContact OE1-NZ 3.1Å; E527-K549 VanDerWaalsContact OE2-CE 3.23Å; E527-K549 WeakPolarHBondContact OE2-CE 3.23Å; E527-K549 IonicContact OE2-NZ 2.77Å; E527-K549 PolarHBondContact OE2-NZ 2.85Å; H530-K549 PolarHBondContact CD2-NZ 3.06Å; L545-K549 WeakPolarHBondContact O-CB 3.41Å; L545-K549 VanDerWaalsContact O-CG 3.29Å; L545-K549 WeakPolarHBondContact O-CG 3.33Å; L545-K549 PolarHBondContact O-N 2.76Å; H546-K549 PolarHBondContact O-N 3.12Å; C547-K549 VanDerWaalsContact C-N 3.34Å; C547-K549 PolarHBondContact O-N 3.46Å; K549-W553 VanDerWaalsContact O-CB 3.27Å; K549-W553 WeakPolarHBondContact O-CB 3.34Å; K549-W553 PolarHBondContact O-N 3.03Å
550	C	89.8	Confident	88.9	Confident	70 Å²	70	77.6 Å²	77.6	47%	0.473	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-47.9	176.6	-173.4	0	0	0	0	111.5	H546 C547 L548 F552 W553 C554	H546-C550 PolarHBondContact O-N 3.09Å; H546-C550 VanDerWaalsContact O-N 3.1Å; C547-C550 WeakPolarHBondContact O-CB 3.46Å; C547-C550 PolarHBondContact O-N 3.11Å; C547-C550 VanDerWaalsContact O-N 3.11Å; L548-C550 VanDerWaalsContact C-N 3.32Å; L548-C550 PolarHBondContact O-N 3.15Å; C550-F552 PolarHBondContact O-N 3.36Å; C550-W553 WeakPolarHBondContact O-CB 3.28Å; C550-W553 PolarHBondContact O-N 2.71Å; C550-C554 PolarHBondContact O-N 3.35Å; C550-C554 PolarHBondContact O-SG 3.31Å; C550-C554 VanDerWaalsContact O-SG 3.39Å
551	C	92.2	Very high	89.4	Confident	70 Å²	70	74.5 Å²	74.5	47%	0.473	36%	0.361	S	S	.	.	H	α-helix	trans	-59.5	-46.9	178.8	-67.4	0	0	0	0	112.6	C547 L548 W553 C554 L555	C547-C551 PolarHBondContact O-N 3.02Å; C547-C551 PolarHBondContact O-SG 3.35Å; C547-C551 VanDerWaalsContact O-SG 3.35Å; L548-C551 PolarHBondContact O-N 3.35Å; C551-W553 VanDerWaalsContact C-N 3.35Å; C551-C554 WeakPolarHBondContact O-CB 3.43Å; C551-C554 PolarHBondContact O-N 2.97Å; C551-L555 WeakPolarHBondContact O-CB 3.48Å; C551-L555 PolarHBondContact O-N 3.45Å
552	F	91.1	Very high	90	Very high	45 Å²	45	74 Å²	74	20%	0.197	36%	0.355	C	S	.	.	H	α-helix	trans	-70.9	-30	179.2	-84.7	-83.9	0	0	0	112.7	V519 I522 L526 L548 C550 L555 E556	V519-F552 HydrophobicContact CG1-CD1 4.28Å; I522-F552 HydrophobicContact CB-CD1 4.09Å; I522-F552 HydrophobicContact CB-CE1 3.93Å; I522-F552 HydrophobicContact CD1-CE1 3.65Å; I522-F552 HydrophobicContact CD1-CZ 4.18Å; I522-F552 HydrophobicContact CG1-CE1 4.38Å; I522-F552 HydrophobicContact CG2-CD1 3.7Å; I522-F552 HydrophobicContact CG2-CD2 4.18Å; I522-F552 HydrophobicContact CG2-CE1 3.46Å; I522-F552 VanDerWaalsContact CG2-CE1 3.46Å; I522-F552 HydrophobicContact CG2-CE2 3.95Å; I522-F552 HydrophobicContact CG2-CG 4.07Å; I522-F552 HydrophobicContact CG2-CZ 3.6Å; L526-F552 HydrophobicContact CD1-CB 4.22Å; L526-F552 HydrophobicContact CD1-CD2 3.58Å; L526-F552 HydrophobicContact CD1-CE2 4.23Å; L526-F552 HydrophobicContact CD1-CG 4.03Å; L548-F552 HydrophobicContact CD2-CE2 4.38Å; L548-F552 WeakPolarHBondContact O-CD2 3.38Å; L548-F552 PolarHBondContact O-N 2.99Å; C550-F552 PolarHBondContact O-N 3.36Å; F552-L555 HydrophobicContact CD1-CD2 4.14Å; F552-L555 HydrophobicContact CE1-CD2 4.12Å; F552-L555 PolarHBondContact O-N 2.89Å; F552-E556 WeakPolarHBondContact O-CB 3.46Å; F552-E556 PolarHBondContact O-N 2.04Å
553	W	91.6	Very high	90.7	Very high	116 Å²	116	68 Å²	68	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-45.2	169.7	-179.3	86.9	0	0	0	111.7	K549 C550 C551 E556 R557	K549-W553 VanDerWaalsContact O-CB 3.27Å; K549-W553 WeakPolarHBondContact O-CB 3.34Å; K549-W553 PolarHBondContact O-N 3.03Å; C550-W553 WeakPolarHBondContact O-CB 3.28Å; C550-W553 PolarHBondContact O-N 2.71Å; C551-W553 VanDerWaalsContact C-N 3.35Å; W553-E556 PolarHBondContact O-N 2.73Å; W553-R557 PolarHBondContact O-N 3.24Å; W553-R557 VanDerWaalsContact O-N 3.13Å
554	C	90.8	Very high	91.2	Very high	61 Å²	61	61.9 Å²	61.9	41%	0.412	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-43.5	173.7	-71.2	0	0	0	0	111.6	C550 C551 R557 F558	C550-C554 PolarHBondContact O-N 3.35Å; C550-C554 PolarHBondContact O-SG 3.31Å; C550-C554 VanDerWaalsContact O-SG 3.39Å; C551-C554 WeakPolarHBondContact O-CB 3.43Å; C551-C554 PolarHBondContact O-N 2.97Å; C554-R557 PolarHBondContact O-N 3.11Å; C554-F558 WeakPolarHBondContact O-CB 3.22Å; C554-F558 PolarHBondContact O-N 2.79Å
555	L	93.5	Very high	91.6	Very high	67 Å²	67	58 Å²	58	35%	0.351	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-45.4	177.5	-177.7	61.8	0	0	0	111.4	V519 C551 F552 R557 F558 I559	V519-L555 HydrophobicContact CG1-CB 4.38Å; V519-L555 HydrophobicContact CG1-CD2 4.22Å; V519-L555 HydrophobicContact CG1-CG 4.13Å; V519-L555 HydrophobicContact CG2-CD2 3.82Å; V519-L555 HydrophobicContact CG2-CG 4.06Å; C551-L555 WeakPolarHBondContact O-CB 3.48Å; C551-L555 PolarHBondContact O-N 3.45Å; F552-L555 HydrophobicContact CD1-CD2 4.14Å; F552-L555 HydrophobicContact CE1-CD2 4.12Å; F552-L555 PolarHBondContact O-N 2.89Å; L555-R557 VanDerWaalsContact C-N 3.28Å; L555-R557 PolarHBondContact O-N 3.39Å; L555-F558 PolarHBondContact O-N 3.31Å; L555-I559 HydrophobicContact CD1-CD1 4.24Å; L555-I559 HydrophobicContact CD1-CG1 4Å; L555-I559 HydrophobicContact CG-CG1 4.25Å; L555-I559 WeakPolarHBondContact O-CG1 3.48Å; L555-I559 PolarHBondContact O-N 3.1Å
556	E	93.8	Very high	92.2	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-57.6	-44	176.6	-170.3	-170.3	157.4	0	0	111.1	L516 V519 Q520 R523 F552 W553 K560	L516-E556 HydrophobicContact CD1-CG 3.89Å; V519-E556 HydrophobicContact CG1-CB 3.82Å; V519-E556 HydrophobicContact CG1-CG 4.43Å; Q520-E556 HydrophobicContact CG-CG 4.22Å; Q520-E556 PolarHBondContact NE2-OE1 3.11Å; R523-E556 VanDerWaalsContact CD-OE2 3.24Å; R523-E556 WeakPolarHBondContact CD-OE2 3.46Å; R523-E556 IonicContact CZ-OE2 2.73Å; R523-E556 IonicContact NE-OE2 2.76Å; R523-E556 IonicContact NH1-OE1 3.63Å; R523-E556 IonicContact NH1-OE2 3.81Å; R523-E556 PolarHBondContact NH1-OE2 3.31Å; F552-E556 WeakPolarHBondContact O-CB 3.46Å; F552-E556 PolarHBondContact O-N 2.04Å; W553-E556 PolarHBondContact O-N 2.73Å; E556-K560 HydrophobicContact CG-CD 4.32Å; E556-K560 WeakPolarHBondContact O-CB 3.39Å; E556-K560 VanDerWaalsContact O-CG 3.3Å; E556-K560 WeakPolarHBondContact O-CG 3.23Å; E556-K560 PolarHBondContact O-N 3.12Å; E556-K560 VanDerWaalsContact OE1-CE 3.29Å; E556-K560 WeakPolarHBondContact OE1-CE 3.47Å; E556-K560 IonicContact OE1-NZ 2.62Å; E556-K560 PolarHBondContact OE1-NZ 3.15Å
557	R	90.7	Very high	92.7	Very high	154 Å²	154	51.7 Å²	51.7	58%	0.581	26%	0.257	S	S	*	.	H	α-helix	trans	-64.9	-42.4	178	-170.5	170.7	-178.8	176.3	-1.6	111.8	W553 C554 L555 K560 F561	W553-R557 PolarHBondContact O-N 3.24Å; W553-R557 VanDerWaalsContact O-N 3.13Å; C554-R557 PolarHBondContact O-N 3.11Å; L555-R557 VanDerWaalsContact C-N 3.28Å; L555-R557 PolarHBondContact O-N 3.39Å; R557-K560 PolarHBondContact O-N 2.94Å; R557-F561 PolarHBondContact O-N 2.99Å
558	F	91.8	Very high	93.1	Very high	96 Å²	96	48.8 Å²	48.8	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-46.3	176.7	177.8	-104.2	0	0	0	112.2	C554 L555 K560 F561 L562 F585	C554-F558 WeakPolarHBondContact O-CB 3.22Å; C554-F558 PolarHBondContact O-N 2.79Å; L555-F558 PolarHBondContact O-N 3.31Å; F558-K560 VanDerWaalsContact C-N 3.33Å; F558-K560 PolarHBondContact O-N 2.94Å; F558-F561 WeakPolarHBondContact O-CB 3.38Å; F558-F561 PolarHBondContact O-N 2.76Å; F558-F561 VanDerWaalsContact O-N 3.16Å; F558-L562 PolarHBondContact O-N 3.04Å; F558-F585 HydrophobicContact CE2-CE2 4.45Å; F558-F585 HydrophobicContact CZ-CE2 4.5Å
559	I	95.1	Very high	93.4	Very high	12 Å²	12	46 Å²	46	6%	0.062	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-40.2	176.7	-65	-52.1	0	0	0	110.9	L515 L516 V519 L555 F561 L562 N563	L515-I559 HydrophobicContact CD2-CD1 3.77Å; L515-I559 HydrophobicContact CD2-CG1 4.47Å; L515-I559 HydrophobicContact CD2-CG2 4.11Å; L515-I559 HydrophobicContact CG-CD1 4.25Å; L515-I559 HydrophobicContact CG-CG1 4.48Å; L515-I559 HydrophobicContact CG-CG2 4.04Å; L516-I559 HydrophobicContact CB-CG2 4.14Å; L516-I559 HydrophobicContact CD1-CG2 4.22Å; V519-I559 HydrophobicContact CG2-CG1 4.43Å; L555-I559 HydrophobicContact CD1-CD1 4.24Å; L555-I559 HydrophobicContact CD1-CG1 4Å; L555-I559 HydrophobicContact CG-CG1 4.25Å; L555-I559 WeakPolarHBondContact O-CG1 3.48Å; L555-I559 PolarHBondContact O-N 3.1Å; I559-F561 VanDerWaalsContact C-N 3.33Å; I559-F561 PolarHBondContact O-N 2.84Å; I559-L562 PolarHBondContact O-N 3.37Å; I559-N563 WeakPolarHBondContact O-CB 3.29Å; I559-N563 PolarHBondContact O-N 3.42Å; I559-N563 PolarHBondContact O-OD1 3.39Å
560	K	93.8	Very high	93.8	Very high	82 Å²	82	44.3 Å²	44.3	36%	0.357	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-42.9	173.4	-79.8	172.3	171.1	172.2	0	112.2	L516 E556 R557 F558 T564	L516-K560 HydrophobicContact CD1-CD 4.44Å; L516-K560 HydrophobicContact CD1-CG 3.76Å; L516-K560 HydrophobicContact CD2-CG 3.85Å; E556-K560 HydrophobicContact CG-CD 4.32Å; E556-K560 WeakPolarHBondContact O-CB 3.39Å; E556-K560 VanDerWaalsContact O-CG 3.3Å; E556-K560 WeakPolarHBondContact O-CG 3.23Å; E556-K560 PolarHBondContact O-N 3.12Å; E556-K560 VanDerWaalsContact OE1-CE 3.29Å; E556-K560 WeakPolarHBondContact OE1-CE 3.47Å; E556-K560 IonicContact OE1-NZ 2.62Å; E556-K560 PolarHBondContact OE1-NZ 3.15Å; R557-K560 PolarHBondContact O-N 2.94Å; F558-K560 VanDerWaalsContact C-N 3.33Å; F558-K560 PolarHBondContact O-N 2.94Å; K560-T564 WeakPolarHBondContact O-CB 3.42Å; K560-T564 PolarHBondContact O-N 3.46Å; K560-T564 VanDerWaalsContact O-N 3.1Å; K560-T564 PolarHBondContact O-OG1 3.37Å
561	F	91.2	Very high	94.1	Very high	74 Å²	74	41.1 Å²	41.1	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-51.3	175.7	170.2	-96.4	0	0	0	111.1	R557 F558 I559 N563 T564 N565 L588	R557-F561 PolarHBondContact O-N 2.99Å; F558-F561 WeakPolarHBondContact O-CB 3.38Å; F558-F561 PolarHBondContact O-N 2.76Å; F558-F561 VanDerWaalsContact O-N 3.16Å; I559-F561 VanDerWaalsContact C-N 3.33Å; I559-F561 PolarHBondContact O-N 2.84Å; F561-N563 PolarHBondContact O-N 2.97Å; F561-T564 PolarHBondContact O-N 3.03Å; F561-N565 WeakPolarHBondContact CD2-ND2 3.27Å; F561-N565 VanDerWaalsContact CE2-ND2 3.35Å; F561-N565 WeakPolarHBondContact CE2-ND2 3.43Å; F561-N565 PolarHBondContact O-N 3.27Å; F561-N565 PolarHBondContact O-ND2 3Å; F561-L588 HydrophobicContact CE1-CD1 4.32Å; F561-L588 HydrophobicContact CE2-CD1 4.48Å; F561-L588 HydrophobicContact CZ-CD1 3.76Å
562	L	93.9	Very high	94.2	Very high	30 Å²	30	37.8 Å²	37.8	16%	0.157	17%	0.172	C	C	.	.	H	α-helix	trans	-58.5	-51.1	179.5	-174	71	0	0	0	111.4	F558 I559 T564 N565 A566 F585	F558-L562 PolarHBondContact O-N 3.04Å; I559-L562 PolarHBondContact O-N 3.37Å; L562-T564 VanDerWaalsContact C-N 3.32Å; L562-T564 PolarHBondContact O-N 3.37Å; L562-N565 PolarHBondContact O-N 3.31Å; L562-A566 VanDerWaalsContact O-CB 3.28Å; L562-A566 WeakPolarHBondContact O-CB 3.09Å; L562-A566 PolarHBondContact O-N 3.46Å; L562-F585 HydrophobicContact CD1-CB 4.36Å
563	N	96.1	Very high	94.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.011	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-45.3	179	-77.1	2.3	0	0	0	111.9	G512 I559 F561 N565 A566 Y567 F577	G512-N563 PolarHBondContact O-ND2 3.39Å; I559-N563 WeakPolarHBondContact O-CB 3.29Å; I559-N563 PolarHBondContact O-N 3.42Å; I559-N563 PolarHBondContact O-OD1 3.39Å; F561-N563 PolarHBondContact O-N 2.97Å; N563-N565 PolarHBondContact O-N 3.43Å; N563-A566 PolarHBondContact O-N 2.95Å; N563-Y567 HydrophobicContact CB-CD2 4.47Å; N563-Y567 HydrophobicContact CB-CE2 3.78Å; N563-Y567 WeakPolarHBondContact O-CB 3.4Å; N563-Y567 WeakPolarHBondContact O-CD1 3.37Å; N563-Y567 WeakPolarHBondContact O-CD2 3.42Å; N563-Y567 PolarHBondContact O-N 2.93Å; N563-F577 WeakPolarHBondContact OD1-CZ 3.24Å
564	T	95.1	Very high	94.2	Very high	16 Å²	16	32.6 Å²	32.6	10%	0.098	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-48.8	-177.9	-57.2	0	0	0	0	110.9	K469 K560 F561 L562 Y567 I568 M666	K469-T564 HydrophobicContact CD-CG2 4.3Å; K469-T564 PolarHBondContact NZ-OG1 3.39Å; K560-T564 WeakPolarHBondContact O-CB 3.42Å; K560-T564 PolarHBondContact O-N 3.46Å; K560-T564 VanDerWaalsContact O-N 3.1Å; K560-T564 PolarHBondContact O-OG1 3.37Å; F561-T564 PolarHBondContact O-N 3.03Å; L562-T564 VanDerWaalsContact C-N 3.32Å; L562-T564 PolarHBondContact O-N 3.37Å; T564-Y567 PolarHBondContact O-N 2.72Å; T564-I568 WeakPolarHBondContact O-CG1 3.45Å; T564-I568 PolarHBondContact O-N 3.39Å; T564-M666 HydrophobicContact CG2-CE 4.25Å; T564-M666 HydrophobicContact CG2-SD 3.93Å
565	N	95.2	Very high	94.3	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-70.4	-36.1	-179.9	-64.7	-68.9	0	0	0	112.3	F561 L562 N563 I568 M569 A584 L588	F561-N565 WeakPolarHBondContact CD2-ND2 3.27Å; F561-N565 VanDerWaalsContact CE2-ND2 3.35Å; F561-N565 WeakPolarHBondContact CE2-ND2 3.43Å; F561-N565 PolarHBondContact O-N 3.27Å; F561-N565 PolarHBondContact O-ND2 3Å; L562-N565 PolarHBondContact O-N 3.31Å; N563-N565 PolarHBondContact O-N 3.43Å; N565-I568 PolarHBondContact O-N 2.99Å; N565-M569 PolarHBondContact O-N 3.11Å; N565-A584 HydrophobicContact CB-CB 3.88Å; N565-L588 HydrophobicContact CB-CD1 3.85Å; N565-L588 VanDerWaalsContact CG-CD1 3.42Å
566	A	97.1	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-45.5	172.9	0	0	0	0	0	111.7	L562 N563 I568 M569 I570 F577 S581	L562-A566 VanDerWaalsContact O-CB 3.28Å; L562-A566 WeakPolarHBondContact O-CB 3.09Å; L562-A566 PolarHBondContact O-N 3.46Å; N563-A566 PolarHBondContact O-N 2.95Å; A566-I568 VanDerWaalsContact C-N 3.27Å; A566-I568 PolarHBondContact O-N 3Å; A566-M569 PolarHBondContact O-N 3.15Å; A566-M569 VanDerWaalsContact O-N 3.13Å; A566-I570 VanDerWaalsContact O-CG1 3.27Å; A566-I570 WeakPolarHBondContact O-CG1 3.45Å; A566-I570 PolarHBondContact O-N 3.39Å; A566-F577 HydrophobicContact CB-CD2 4.4Å; A566-F577 HydrophobicContact CB-CE2 4.02Å; A566-F577 HydrophobicContact CB-CZ 4.5Å; A566-S581 WeakPolarHBondContact CB-OG 3.41Å
567	Y	97.8	Very high	94.5	Very high	6 Å²	6	31.2 Å²	31.2	2%	0.024	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-33	178.4	-59.4	-30.9	0	0	0	112.8	A466 K469 L509 G512 S513 N563 T564 I570 A571 F577	A466-Y567 HydrophobicContact CB-CD2 4.22Å; A466-Y567 HydrophobicContact CB-CE1 4.23Å; A466-Y567 HydrophobicContact CB-CE2 3.47Å; A466-Y567 VanDerWaalsContact CB-CE2 3.47Å; A466-Y567 VanDerWaalsContact CB-CZ 3.49Å; K469-Y567 HydrophobicContact CB-CD2 4Å; K469-Y567 HydrophobicContact CD-CD2 4.07Å; K469-Y567 HydrophobicContact CD-CE2 4.48Å; L509-Y567 HydrophobicContact CD2-CD1 3.71Å; L509-Y567 HydrophobicContact CD2-CE1 3.9Å; L509-Y567 HydrophobicContact CD2-CG 4.28Å; G512-Y567 VanDerWaalsContact C-OH 3.28Å; G512-Y567 WeakPolarHBondContact CA-OH 3.06Å; S513-Y567 PolarHBondContact N-OH 2.94Å; N563-Y567 HydrophobicContact CB-CD2 4.47Å; N563-Y567 HydrophobicContact CB-CE2 3.78Å; N563-Y567 WeakPolarHBondContact O-CB 3.4Å; N563-Y567 WeakPolarHBondContact O-CD1 3.37Å; N563-Y567 WeakPolarHBondContact O-CD2 3.42Å; N563-Y567 PolarHBondContact O-N 2.93Å; T564-Y567 PolarHBondContact O-N 2.72Å; Y567-I570 HydrophobicContact CD1-CD1 4.17Å; Y567-A571 WeakPolarHBondContact O-CB 3.4Å; Y567-A571 PolarHBondContact O-N 3Å; Y567-F577 HydrophobicContact CE1-CD2 4.08Å; Y567-F577 AromaticContact CE1-CE2 3.87Å; Y567-F577 HydrophobicContact CE1-CE2 3.87Å
568	I	97	Very high	94.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-47.6	172.7	-60.5	165.3	0	0	0	110.1	A473 T564 N565 A566 I570 A571 I572 M666 D669 T670 L673	A473-I568 HydrophobicContact CB-CB 4.21Å; A473-I568 HydrophobicContact CB-CG1 3.81Å; A473-I568 HydrophobicContact CB-CG2 4.32Å; T564-I568 WeakPolarHBondContact O-CG1 3.45Å; T564-I568 PolarHBondContact O-N 3.39Å; N565-I568 PolarHBondContact O-N 2.99Å; A566-I568 VanDerWaalsContact C-N 3.27Å; A566-I568 PolarHBondContact O-N 3Å; I568-I570 VanDerWaalsContact C-N 3.35Å; I568-I570 PolarHBondContact O-N 2.68Å; I568-A571 WeakPolarHBondContact O-CB 3.33Å; I568-A571 PolarHBondContact O-N 3.41Å; I568-A571 VanDerWaalsContact O-N 3.09Å; I568-I572 HydrophobicContact CG2-CD1 3.89Å; I568-I572 WeakPolarHBondContact O-CG1 3.24Å; I568-I572 PolarHBondContact O-N 2.02Å; I568-M666 HydrophobicContact CD1-CE 4.41Å; I568-M666 HydrophobicContact CG1-CE 4.22Å; I568-D669 HydrophobicContact CD1-CB 3.94Å; I568-T670 HydrophobicContact CG2-CG2 4.12Å; I568-L673 HydrophobicContact CB-CD2 3.72Å; I568-L673 HydrophobicContact CD1-CD2 4.42Å; I568-L673 HydrophobicContact CG2-CB 4.16Å; I568-L673 HydrophobicContact CG2-CD2 3.49Å; I568-L673 VanDerWaalsContact CG2-CD2 3.49Å; I568-L673 HydrophobicContact CG2-CG 4.41Å
569	M	95.4	Very high	94.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-38.3	177.3	-71.2	-59.5	-83.7	0	0	112.9	I18 N565 A566 A571 I572 Y573 D583 A584 L673	I18-M569 HydrophobicContact CD1-CE 4.5Å; N565-M569 PolarHBondContact O-N 3.11Å; A566-M569 PolarHBondContact O-N 3.15Å; A566-M569 VanDerWaalsContact O-N 3.13Å; M569-A571 VanDerWaalsContact C-N 3.33Å; M569-I572 PolarHBondContact O-N 3.37Å; M569-Y573 HydrophobicContact CE-CD2 3.65Å; M569-Y573 HydrophobicContact CE-CE2 3.45Å; M569-Y573 VanDerWaalsContact CE-CE2 3.45Å; M569-Y573 PolarHBondContact O-N 2.97Å; M569-Y573 HydrophobicContact SD-CD2 4.06Å; M569-Y573 HydrophobicContact SD-CE2 3.86Å; M569-D583 HydrophobicContact CE-CB 3.63Å; M569-A584 HydrophobicContact CG-CB 3.64Å; M569-L673 HydrophobicContact CG-CD2 3.87Å; M569-L673 HydrophobicContact SD-CD2 3.82Å; M569-L673 HydrophobicContact SD-CG 4.41Å
570	I	96.4	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-45.2	171.7	-66	167.8	0	0	0	109.6	R31 H505 A566 Y567 I568 I572 G574 F577 S580	R31-I570 PolarHBondContact NH1-O 3.02Å; H505-I570 HydrophobicContact CB-CG2 4.02Å; A566-I570 VanDerWaalsContact O-CG1 3.27Å; A566-I570 WeakPolarHBondContact O-CG1 3.45Å; A566-I570 PolarHBondContact O-N 3.39Å; Y567-I570 HydrophobicContact CD1-CD1 4.17Å; I568-I570 VanDerWaalsContact C-N 3.35Å; I568-I570 PolarHBondContact O-N 2.68Å; I570-I572 VanDerWaalsContact C-N 3.27Å; I570-I572 PolarHBondContact O-N 2.85Å; I570-G574 WeakPolarHBondContact O-CA 3.07Å; I570-G574 PolarHBondContact O-N 3.33Å; I570-F577 HydrophobicContact CD1-CD2 4.31Å; I570-S580 VanDerWaalsContact CG1-CB 3.49Å; I570-S580 WeakPolarHBondContact CG1-OG 3.39Å
571	A	96.3	Very high	94.9	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-33.9	-179.9	0	0	0	0	0	112.6	R31 C470 A473 Y567 I568 M569	R31-A571 PolarHBondContact NH2-O 2.99Å; C470-A571 WeakPolarHBondContact O-CB 3.29Å; A473-A571 HydrophobicContact CB-CB 3.88Å; Y567-A571 WeakPolarHBondContact O-CB 3.4Å; Y567-A571 PolarHBondContact O-N 3Å; I568-A571 WeakPolarHBondContact O-CB 3.33Å; I568-A571 PolarHBondContact O-N 3.41Å; I568-A571 VanDerWaalsContact O-N 3.09Å; M569-A571 VanDerWaalsContact C-N 3.33Å
572	I	93.7	Very high	95.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-79	-58.6	178.2	-61.8	167.6	0	0	0	111.4	F24 P27 V28 R31 A477 I568 M569 I570	F24-I572 HydrophobicContact CE2-CG2 4.34Å; F24-I572 HydrophobicContact CZ-CG2 3.68Å; P27-I572 WeakPolarHBondContact CA-O 3.47Å; V28-I572 PolarHBondContact N-O 2.66Å; R31-I572 PolarHBondContact NH2-O 3.43Å; A477-I572 HydrophobicContact CB-CG1 3.85Å; I568-I572 HydrophobicContact CG2-CD1 3.89Å; I568-I572 WeakPolarHBondContact O-CG1 3.24Å; I568-I572 PolarHBondContact O-N 2.02Å; M569-I572 PolarHBondContact O-N 3.37Å; I570-I572 VanDerWaalsContact C-N 3.27Å; I570-I572 PolarHBondContact O-N 2.85Å
573	Y	92.2	Very high	94.9	Very high	40 Å²	40	29 Å²	29	16%	0.157	14%	0.144	C	C	.	.	H	α-helix	trans	-98.2	-22.9	-168.1	-65.1	-73.8	0	0	0	114.5	F24 M569	F24-Y573 HydrophobicContact CE2-CD1 4.29Å; F24-Y573 HydrophobicContact CE2-CE1 4Å; F24-Y573 HydrophobicContact CZ-CE1 4.18Å; M569-Y573 HydrophobicContact CE-CD2 3.65Å; M569-Y573 HydrophobicContact CE-CE2 3.45Å; M569-Y573 VanDerWaalsContact CE-CE2 3.45Å; M569-Y573 PolarHBondContact O-N 2.97Å; M569-Y573 HydrophobicContact SD-CD2 4.06Å; M569-Y573 HydrophobicContact SD-CE2 3.86Å
574	G	91.8	Very high	94.8	Very high	11 Å²	11	28.9 Å²	28.9	11%	0.113	14%	0.144	C	C	.	.			trans	72.4	28.6	-179.8	0	0	0	0	0	114.7	R31 H505 I570	R31-G574 VanDerWaalsContact NH1-CA 3.28Å; H505-G574 PolarHBondContact CE1-O 3.49Å; I570-G574 WeakPolarHBondContact O-CA 3.07Å; I570-G574 PolarHBondContact O-N 3.33Å
575	H	93.4	Very high	94.7	Very high	64 Å²	64	31.3 Å²	31.3	30%	0.296	15%	0.153	S	C	.	.			trans	-82.8	170	173.4	-65.5	-36.9	0	0	0	112.4	K579 D583	H575-K579 HydrophobicContact CB-CB 4.28Å; H575-K579 HydrophobicContact CB-CD 4.03Å; H575-K579 HydrophobicContact CB-CG 4.11Å; H575-D583 IonicContact CD2-OD2 3.98Å
576	S	95.3	Very high	94.4	Very high	41 Å²	41	31.6 Å²	31.6	29%	0.287	16%	0.155	S	C	.	.			trans	-68.1	161.9	173.6	57.2	0	0	0	0	112.1	D35 C578 K579 S580	D35-S576 WeakPolarHBondContact OD1-CB 3.46Å; D35-S576 WeakPolarHBondContact OD2-CA 3.12Å; D35-S576 WeakPolarHBondContact OD2-CB 2.81Å; S576-C578 PolarHBondContact O-N 3.32Å; S576-K579 PolarHBondContact O-N 2.93Å; S576-S580 WeakPolarHBondContact O-CB 3.41Å; S576-S580 PolarHBondContact O-N 3.43Å; S576-S580 PolarHBondContact O-OG 3.36Å
577	F	96.1	Very high	94	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-55.9	-50.8	-173.4	179	-89.1	0	0	0	113	D35 F511 N563 A566 Y567 I570 K579 S580 S581	D35-F577 PolarHBondContact OD2-N 3.3Å; F511-F577 HydrophobicContact CD1-CB 3.95Å; F511-F577 AromaticContact CD1-CD1 3.33Å; F511-F577 HydrophobicContact CD1-CD1 3.33Å; F511-F577 AromaticContact CD1-CE1 3.96Å; F511-F577 HydrophobicContact CD1-CE1 3.96Å; F511-F577 AromaticContact CD1-CG 3.73Å; F511-F577 HydrophobicContact CD1-CG 3.73Å; F511-F577 AromaticContact CE1-CD1 3.52Å; F511-F577 HydrophobicContact CE1-CD1 3.52Å; F511-F577 AromaticContact CE1-CE1 3.96Å; F511-F577 HydrophobicContact CE1-CE1 3.96Å; F511-F577 HydrophobicContact CE1-CG 4.37Å; N563-F577 WeakPolarHBondContact OD1-CZ 3.24Å; A566-F577 HydrophobicContact CB-CD2 4.4Å; A566-F577 HydrophobicContact CB-CE2 4.02Å; A566-F577 HydrophobicContact CB-CZ 4.5Å; Y567-F577 HydrophobicContact CE1-CD2 4.08Å; Y567-F577 AromaticContact CE1-CE2 3.87Å; Y567-F577 HydrophobicContact CE1-CE2 3.87Å; I570-F577 HydrophobicContact CD1-CD2 4.31Å; F577-K579 VanDerWaalsContact C-N 3.34Å; F577-K579 PolarHBondContact O-N 3.36Å; F577-S580 PolarHBondContact O-N 3.15Å; F577-S581 WeakPolarHBondContact CE1-OG 3.33Å; F577-S581 WeakPolarHBondContact CZ-OG 3.47Å; F577-S581 VanDerWaalsContact O-CB 3.27Å; F577-S581 WeakPolarHBondContact O-CB 3.46Å; F577-S581 PolarHBondContact O-N 3.2Å; F577-S581 PolarHBondContact O-OG 3.27Å
578	C	94.9	Very high	93.5	Very high	75 Å²	75	31.8 Å²	31.8	51%	0.507	16%	0.156	S	C	.	.	H	α-helix	trans	-64.3	-39.2	-176.8	-64.5	0	0	0	0	112.4	S576 R582	S576-C578 PolarHBondContact O-N 3.32Å; C578-R582 WeakPolarHBondContact O-CB 3.47Å; C578-R582 PolarHBondContact O-N 3.4Å
579	K	94.3	Very high	93	Very high	100 Å²	100	34.3 Å²	34.3	44%	0.435	17%	0.169	S	C	.	.	H	α-helix	trans	-66.1	-50.4	176.9	178.6	168.8	178.3	-179.2	0	110.7	H575 S576 F577 S581 R582 D583	H575-K579 HydrophobicContact CB-CB 4.28Å; H575-K579 HydrophobicContact CB-CD 4.03Å; H575-K579 HydrophobicContact CB-CG 4.11Å; S576-K579 PolarHBondContact O-N 2.93Å; F577-K579 VanDerWaalsContact C-N 3.34Å; F577-K579 PolarHBondContact O-N 3.36Å; K579-S581 VanDerWaalsContact C-N 3.32Å; K579-S581 PolarHBondContact O-N 3.16Å; K579-R582 WeakPolarHBondContact O-CB 3.39Å; K579-R582 PolarHBondContact O-N 3.36Å; K579-R582 VanDerWaalsContact O-N 3.16Å; K579-D583 PolarHBondContact O-N 3.46Å
580	S	95.6	Very high	92.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-36.2	177.8	-72.2	0	0	0	0	113.5	I570 S576 F577 A584	I570-S580 VanDerWaalsContact CG1-CB 3.49Å; I570-S580 WeakPolarHBondContact CG1-OG 3.39Å; S576-S580 WeakPolarHBondContact O-CB 3.41Å; S576-S580 PolarHBondContact O-N 3.43Å; S576-S580 PolarHBondContact O-OG 3.36Å; F577-S580 PolarHBondContact O-N 3.15Å; S580-A584 WeakPolarHBondContact O-CB 3.33Å; S580-A584 PolarHBondContact O-N 2.92Å
581	S	94.7	Very high	91.6	Very high	8 Å²	8	37.5 Å²	37.5	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-43.7	173.3	-70.7	0	0	0	0	111.8	A566 F577 K579 F585	A566-S581 WeakPolarHBondContact CB-OG 3.41Å; F577-S581 WeakPolarHBondContact CE1-OG 3.33Å; F577-S581 WeakPolarHBondContact CZ-OG 3.47Å; F577-S581 VanDerWaalsContact O-CB 3.27Å; F577-S581 WeakPolarHBondContact O-CB 3.46Å; F577-S581 PolarHBondContact O-N 3.2Å; F577-S581 PolarHBondContact O-OG 3.27Å; K579-S581 VanDerWaalsContact C-N 3.32Å; K579-S581 PolarHBondContact O-N 3.16Å; S581-F585 VanDerWaalsContact O-CB 3.25Å; S581-F585 WeakPolarHBondContact O-CB 3.33Å; S581-F585 PolarHBondContact O-N 3.03Å
582	R	94.1	Very high	90.9	Very high	171 Å²	171	41 Å²	41	65%	0.645	20%	0.2	S	C	*	.	H	α-helix	trans	-64.3	-50.5	176.5	-174.7	-179.4	-174.1	169.2	3.8	111.4	C578 K579 A584 F585 D586	C578-R582 WeakPolarHBondContact O-CB 3.47Å; C578-R582 PolarHBondContact O-N 3.4Å; K579-R582 WeakPolarHBondContact O-CB 3.39Å; K579-R582 PolarHBondContact O-N 3.36Å; K579-R582 VanDerWaalsContact O-N 3.16Å; R582-A584 VanDerWaalsContact C-N 3.3Å; R582-A584 PolarHBondContact O-N 3.45Å; R582-F585 PolarHBondContact O-N 2.05Å; R582-F585 VanDerWaalsContact O-N 3.16Å; R582-D586 IonicContact NE-OD2 2.76Å; R582-D586 WeakPolarHBondContact O-CB 3.47Å; R582-D586 PolarHBondContact O-N 3.28Å
583	D	91.3	Very high	90	Very high	46 Å²	46	47.9 Å²	47.9	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-42	-179.6	-61.3	-17.4	0	0	0	111	M569 H575 K579 L587	M569-D583 HydrophobicContact CE-CB 3.63Å; H575-D583 IonicContact CD2-OD2 3.98Å; K579-D583 PolarHBondContact O-N 3.46Å; D583-L587 WeakPolarHBondContact O-CB 3.38Å; D583-L587 PolarHBondContact O-N 2.97Å; D583-L587 VanDerWaalsContact O-N 3.15Å
584	A	93.1	Very high	89.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-47.9	174.7	0	0	0	0	0	112.1	N565 M569 S580 R582 L587 L588	N565-A584 HydrophobicContact CB-CB 3.88Å; M569-A584 HydrophobicContact CG-CB 3.64Å; S580-A584 WeakPolarHBondContact O-CB 3.33Å; S580-A584 PolarHBondContact O-N 2.92Å; R582-A584 VanDerWaalsContact C-N 3.3Å; R582-A584 PolarHBondContact O-N 3.45Å; A584-L587 PolarHBondContact O-N 2.82Å; A584-L588 WeakPolarHBondContact O-CB 2.95Å; A584-L588 WeakPolarHBondContact O-CD1 3.37Å; A584-L588 WeakPolarHBondContact O-CG 3.33Å; A584-L588 PolarHBondContact O-N 2.84Å
585	F	92	Very high	88.6	Confident	68 Å²	68	47.8 Å²	47.8	30%	0.298	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-46.1	-177.6	-179.4	-96.9	0	0	0	111.7	F558 L562 S581 R582 L587 L588 M589	F558-F585 HydrophobicContact CE2-CE2 4.45Å; F558-F585 HydrophobicContact CZ-CE2 4.5Å; L562-F585 HydrophobicContact CD1-CB 4.36Å; S581-F585 VanDerWaalsContact O-CB 3.25Å; S581-F585 WeakPolarHBondContact O-CB 3.33Å; S581-F585 PolarHBondContact O-N 3.03Å; R582-F585 PolarHBondContact O-N 2.05Å; R582-F585 VanDerWaalsContact O-N 3.16Å; F585-L587 PolarHBondContact O-N 3.41Å; F585-L588 PolarHBondContact O-N 3.27Å; F585-M589 HydrophobicContact CE1-CE 3.98Å; F585-M589 HydrophobicContact CE2-CE 3.68Å; F585-M589 HydrophobicContact CZ-CE 3.29Å; F585-M589 VanDerWaalsContact O-CB 3.32Å; F585-M589 WeakPolarHBondContact O-CB 3.39Å; F585-M589 PolarHBondContact O-N 3.46Å
586	D	89.6	Confident	87.8	Confident	22 Å²	22	48 Å²	48	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-44.1	178.8	-72.6	-15.3	0	0	0	110.9	R582 L588 M589 R590	R582-D586 IonicContact NE-OD2 2.76Å; R582-D586 WeakPolarHBondContact O-CB 3.47Å; R582-D586 PolarHBondContact O-N 3.28Å; D586-L588 PolarHBondContact O-N 3.4Å; D586-M589 PolarHBondContact O-N 3.18Å; D586-R590 VanDerWaalsContact O-CG 3.32Å; D586-R590 WeakPolarHBondContact O-CG 3.3Å; D586-R590 PolarHBondContact O-N 2.98Å
587	L	87.9	Confident	86.9	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-42.8	177.5	-178.7	63.4	0	0	0	112.7	I18 D583 A584 F585 N591 L673 L676 C677	I18-L587 HydrophobicContact CD1-CD2 4.47Å; D583-L587 WeakPolarHBondContact O-CB 3.38Å; D583-L587 PolarHBondContact O-N 2.97Å; D583-L587 VanDerWaalsContact O-N 3.15Å; A584-L587 PolarHBondContact O-N 2.82Å; F585-L587 PolarHBondContact O-N 3.41Å; L587-N591 PolarHBondContact O-ND2 2.73Å; L587-L673 HydrophobicContact CD2-CD1 3.88Å; L587-L673 HydrophobicContact CD2-CG 4.29Å; L587-L676 HydrophobicContact CD1-CB 4.08Å; L587-L676 HydrophobicContact CD2-CB 4.01Å; L587-L676 HydrophobicContact CG-CB 4.03Å; L587-C677 WeakPolarHBondContact CD2-SG 3.45Å
588	L	88.4	Confident	86.1	Confident	9 Å²	9	47.5 Å²	47.5	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-72.6	-39.6	-179.7	-68.2	169.1	0	0	0	111.8	F561 N565 A584 F585 D586 R590 N591 I592 V595 F672 L673 L676	F561-L588 HydrophobicContact CE1-CD1 4.32Å; F561-L588 HydrophobicContact CE2-CD1 4.48Å; F561-L588 HydrophobicContact CZ-CD1 3.76Å; N565-L588 HydrophobicContact CB-CD1 3.85Å; N565-L588 VanDerWaalsContact CG-CD1 3.42Å; A584-L588 WeakPolarHBondContact O-CB 2.95Å; A584-L588 WeakPolarHBondContact O-CD1 3.37Å; A584-L588 WeakPolarHBondContact O-CG 3.33Å; A584-L588 PolarHBondContact O-N 2.84Å; F585-L588 PolarHBondContact O-N 3.27Å; D586-L588 PolarHBondContact O-N 3.4Å; L588-R590 VanDerWaalsContact C-N 3.31Å; L588-R590 PolarHBondContact O-N 2.85Å; L588-N591 CarbonylContact O-C 2.96Å; L588-N591 VanDerWaalsContact O-C 3.27Å; L588-N591 PolarHBondContact O-N 2.98Å; L588-I592 WeakPolarHBondContact O-CA 3.01Å; L588-I592 PolarHBondContact O-N 3.21Å; L588-V595 HydrophobicContact CB-CG2 4.4Å; L588-V595 HydrophobicContact CD2-CB 4.45Å; L588-V595 HydrophobicContact CD2-CG1 3.89Å; L588-V595 HydrophobicContact CD2-CG2 3.64Å; L588-F672 HydrophobicContact CD2-CE1 4.48Å; L588-L673 HydrophobicContact CD1-CD1 4.45Å; L588-L673 HydrophobicContact CD2-CD1 3.8Å; L588-L673 HydrophobicContact CG-CD1 4.08Å; L588-L676 HydrophobicContact CD2-CD1 3.86Å
589	M	85.6	Confident	85.4	Confident	53 Å²	53	46.6 Å²	46.6	26%	0.261	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-38	-179.3	-168.5	58.6	69.3	0	0	111.7	F585 D586 N591 I592	F585-M589 HydrophobicContact CE1-CE 3.98Å; F585-M589 HydrophobicContact CE2-CE 3.68Å; F585-M589 HydrophobicContact CZ-CE 3.29Å; F585-M589 VanDerWaalsContact O-CB 3.32Å; F585-M589 WeakPolarHBondContact O-CB 3.39Å; F585-M589 PolarHBondContact O-N 3.46Å; D586-M589 PolarHBondContact O-N 3.18Å; M589-N591 PolarHBondContact O-N 2.91Å; M589-I592 HydrophobicContact CE-CD1 4.22Å; M589-I592 WeakPolarHBondContact O-CB 3.44Å; M589-I592 PolarHBondContact O-N 2.78Å; M589-I592 HydrophobicContact SD-CB 4.42Å; M589-I592 HydrophobicContact SD-CD1 3.58Å; M589-I592 VanDerWaalsContact SD-CD1 3.58Å
590	R	82.8	Confident	84.8	Confident	34 Å²	34	45.6 Å²	45.6	13%	0.128	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.4	173.7	-68	172.7	-163.1	159.3	11.9	113.4	H14 G15 E16 P17 D586 L588 E680	H14-R590 PolarHBondContact O-NE 3.38Å; H14-R590 PolarHBondContact O-NH2 3.34Å; G15-R590 PolarHBondContact O-NH2 3.39Å; E16-R590 PolarHBondContact O-NH1 3.35Å; E16-R590 PolarHBondContact O-NH2 3.33Å; P17-R590 VanDerWaalsContact CA-NH1 3.29Å; D586-R590 VanDerWaalsContact O-CG 3.32Å; D586-R590 WeakPolarHBondContact O-CG 3.3Å; D586-R590 PolarHBondContact O-N 2.98Å; L588-R590 VanDerWaalsContact C-N 3.31Å; L588-R590 PolarHBondContact O-N 2.85Å; R590-E680 IonicContact CZ-OE1 2.84Å; R590-E680 IonicContact NH1-OE1 3.85Å; R590-E680 PolarHBondContact NH1-OE1 3.01Å; R590-E680 IonicContact NH1-OE2 2.76Å
591	N	80.2	Confident	84.1	Confident	33 Å²	33	45.7 Å²	45.7	18%	0.176	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	21.6	-177.8	-68.6	-81.6	0	0	0	112.9	L587 L588 M589 L593 R594 V595 L676	L587-N591 PolarHBondContact O-ND2 2.73Å; L588-N591 CarbonylContact O-C 2.96Å; L588-N591 VanDerWaalsContact O-C 3.27Å; L588-N591 PolarHBondContact O-N 2.98Å; M589-N591 PolarHBondContact O-N 2.91Å; N591-L593 VanDerWaalsContact C-N 3.35Å; N591-L593 PolarHBondContact O-N 2.91Å; N591-L593 VanDerWaalsContact O-N 3.14Å; N591-R594 PolarHBondContact O-N 2.98Å; N591-V595 HydrophobicContact CB-CG2 4.13Å; N591-V595 WeakPolarHBondContact O-CG2 3.29Å; N591-V595 PolarHBondContact O-N 3Å; N591-L676 HydrophobicContact CB-CD1 4.36Å; N591-L676 HydrophobicContact CB-CD2 4.02Å
592	I	81.5	Confident	83.6	Confident	78 Å²	78	45.6 Å²	45.6	40%	0.4	22%	0.224	S	C	.	.	H	α-helix	trans	-53.9	-42.8	-163.3	-172.6	159	0	0	0	114.6	L588 M589 R594 V595 V596	L588-I592 WeakPolarHBondContact O-CA 3.01Å; L588-I592 PolarHBondContact O-N 3.21Å; M589-I592 HydrophobicContact CE-CD1 4.22Å; M589-I592 WeakPolarHBondContact O-CB 3.44Å; M589-I592 PolarHBondContact O-N 2.78Å; M589-I592 HydrophobicContact SD-CB 4.42Å; M589-I592 HydrophobicContact SD-CD1 3.58Å; M589-I592 VanDerWaalsContact SD-CD1 3.58Å; I592-R594 VanDerWaalsContact C-N 3.31Å; I592-R594 PolarHBondContact O-N 2.72Å; I592-V595 PolarHBondContact O-N 3.5Å; I592-V596 HydrophobicContact CG1-CG2 3.85Å; I592-V596 WeakPolarHBondContact O-CB 3.42Å; I592-V596 VanDerWaalsContact O-CG2 3.31Å; I592-V596 WeakPolarHBondContact O-CG2 3.28Å; I592-V596 PolarHBondContact O-N 3.38Å
593	L	75.8	Confident	83.2	Confident	145 Å²	145	41.3 Å²	41.3	76%	0.759	22%	0.216	S	C	*	.	H	α-helix	trans	-60.8	-41.6	179.9	-66.6	176.7	0	0	0	111.9	N591 V597	N591-L593 VanDerWaalsContact C-N 3.35Å; N591-L593 PolarHBondContact O-N 2.91Å; N591-L593 VanDerWaalsContact O-N 3.14Å; L593-V597 WeakPolarHBondContact O-CB 3.33Å; L593-V597 WeakPolarHBondContact O-CG2 3.33Å; L593-V597 PolarHBondContact O-N 2.87Å
594	R	74.3	Confident	82.9	Confident	38 Å²	38	40.9 Å²	40.9	14%	0.143	21%	0.212	C	C	.	.	H	α-helix	trans	-71	-41.6	178.9	-65.9	177.8	176.1	-174.5	-2.7	110.7	N591 I592 L598 T704 E707	N591-R594 PolarHBondContact O-N 2.98Å; I592-R594 VanDerWaalsContact C-N 3.31Å; I592-R594 PolarHBondContact O-N 2.72Å; R594-L598 VanDerWaalsContact O-CB 3.32Å; R594-L598 WeakPolarHBondContact O-CB 3.38Å; R594-L598 WeakPolarHBondContact O-CD1 3.39Å; R594-L598 WeakPolarHBondContact O-CG 3.05Å; R594-L598 PolarHBondContact O-N 2.81Å; R594-L598 VanDerWaalsContact O-N 3.15Å; R594-T704 PolarHBondContact NH2-OG1 3.26Å; R594-T704 VanDerWaalsContact NH2-OG1 3.14Å; R594-E707 IonicContact CZ-OE2 3.55Å; R594-E707 IonicContact NE-OE1 3.99Å; R594-E707 IonicContact NE-OE2 3.77Å; R594-E707 PolarHBondContact NE-OE2 3.49Å; R594-E707 IonicContact NH2-OE2 2.94Å; R594-E707 PolarHBondContact NH2-OE2 3.28Å
595	V	79.3	Confident	82.5	Confident	10 Å²	10	41 Å²	41	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-57.7	178.3	175.8	0	0	0	0	110.6	L588 N591 I592 V597 L598 D599 F672 L676	L588-V595 HydrophobicContact CB-CG2 4.4Å; L588-V595 HydrophobicContact CD2-CB 4.45Å; L588-V595 HydrophobicContact CD2-CG1 3.89Å; L588-V595 HydrophobicContact CD2-CG2 3.64Å; N591-V595 HydrophobicContact CB-CG2 4.13Å; N591-V595 WeakPolarHBondContact O-CG2 3.29Å; N591-V595 PolarHBondContact O-N 3Å; I592-V595 PolarHBondContact O-N 3.5Å; V595-V597 VanDerWaalsContact C-N 3.31Å; V595-V597 PolarHBondContact O-N 2.92Å; V595-L598 PolarHBondContact O-N 2.96Å; V595-D599 VanDerWaalsContact O-CB 3.26Å; V595-D599 WeakPolarHBondContact O-CB 3.37Å; V595-D599 PolarHBondContact O-N 2.77Å; V595-F672 HydrophobicContact CB-CE1 4.16Å; V595-F672 HydrophobicContact CB-CZ 4.33Å; V595-F672 HydrophobicContact CG1-CE1 4.22Å; V595-F672 HydrophobicContact CG2-CE1 3.75Å; V595-F672 HydrophobicContact CG2-CZ 3.84Å; V595-L676 HydrophobicContact CG2-CD1 4.1Å
596	V	77.9	Confident	82.2	Confident	70 Å²	70	38.3 Å²	38.3	42%	0.424	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-42.1	-173.7	170.6	0	0	0	0	111.6	I592 N600	I592-V596 HydrophobicContact CG1-CG2 3.85Å; I592-V596 WeakPolarHBondContact O-CB 3.42Å; I592-V596 VanDerWaalsContact O-CG2 3.31Å; I592-V596 WeakPolarHBondContact O-CG2 3.28Å; I592-V596 PolarHBondContact O-N 3.38Å; V596-N600 WeakPolarHBondContact O-CB 3.49Å; V596-N600 PolarHBondContact O-N 3.47Å; V596-N600 PolarHBondContact O-ND2 3.3Å
597	V	75.9	Confident	82.1	Confident	33 Å²	33	42.1 Å²	42.1	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-72.9	-38.6	-176.6	176.6	0	0	0	0	111.8	L339 N342 L593 V595 L601	L339-V597 HydrophobicContact CD2-CG1 4.12Å; N342-V597 HydrophobicContact CB-CG1 3.77Å; N342-V597 WeakPolarHBondContact ND2-CG1 3.04Å; N342-V597 VanDerWaalsContact OD1-CG1 3.26Å; N342-V597 WeakPolarHBondContact OD1-CG1 3.34Å; L593-V597 WeakPolarHBondContact O-CB 3.33Å; L593-V597 WeakPolarHBondContact O-CG2 3.33Å; L593-V597 PolarHBondContact O-N 2.87Å; V595-V597 VanDerWaalsContact C-N 3.31Å; V595-V597 PolarHBondContact O-N 2.92Å; V597-L601 WeakPolarHBondContact O-CB 3.47Å; V597-L601 PolarHBondContact O-N 3.38Å
598	L	78.1	Confident	82	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-73.2	-44.7	178.9	-69.9	172.8	0	0	0	112.1	I345 A346 L349 R594 V595 L601 I602 F672	I345-L598 HydrophobicContact CB-CD2 4.01Å; I345-L598 HydrophobicContact CG2-CD1 3.86Å; I345-L598 HydrophobicContact CG2-CD2 3.51Å; I345-L598 HydrophobicContact CG2-CG 4.36Å; A346-L598 HydrophobicContact CB-CD2 4.32Å; L349-L598 HydrophobicContact CD1-CD1 4.21Å; R594-L598 VanDerWaalsContact O-CB 3.32Å; R594-L598 WeakPolarHBondContact O-CB 3.38Å; R594-L598 WeakPolarHBondContact O-CD1 3.39Å; R594-L598 WeakPolarHBondContact O-CG 3.05Å; R594-L598 PolarHBondContact O-N 2.81Å; R594-L598 VanDerWaalsContact O-N 3.15Å; V595-L598 PolarHBondContact O-N 2.96Å; L598-L601 PolarHBondContact O-N 3.41Å; L598-I602 HydrophobicContact CB-CD1 4.49Å; L598-I602 WeakPolarHBondContact O-CD1 3.25Å; L598-I602 WeakPolarHBondContact O-CG1 3.29Å; L598-I602 PolarHBondContact O-N 2.87Å; L598-F672 HydrophobicContact CD1-CD2 4.28Å; L598-F672 HydrophobicContact CD1-CE2 3.61Å; L598-F672 HydrophobicContact CD1-CZ 4.19Å
599	D	80.8	Confident	82	Confident	56 Å²	56	41.9 Å²	41.9	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-58.8	-48.9	179.4	178.9	59.5	0	0	0	111.9	V595 L601 I602 T603	V595-D599 VanDerWaalsContact O-CB 3.26Å; V595-D599 WeakPolarHBondContact O-CB 3.37Å; V595-D599 PolarHBondContact O-N 2.77Å; D599-L601 VanDerWaalsContact C-N 3.31Å; D599-L601 PolarHBondContact O-N 3.04Å; D599-I602 PolarHBondContact O-N 3.43Å; D599-T603 VanDerWaalsContact O-CB 3.3Å; D599-T603 WeakPolarHBondContact O-CB 3.33Å; D599-T603 PolarHBondContact O-N 3.32Å; D599-T603 PolarHBondContact O-OG1 3.46Å
600	N	81.2	Confident	82.3	Confident	78 Å²	78	40.6 Å²	40.6	42%	0.417	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-41	177.9	-78.4	-39	0	0	0	112.2	V596 F604	V596-N600 WeakPolarHBondContact O-CB 3.49Å; V596-N600 PolarHBondContact O-N 3.47Å; V596-N600 PolarHBondContact O-ND2 3.3Å; N600-F604 VanDerWaalsContact O-CB 3.3Å; N600-F604 WeakPolarHBondContact O-CB 3.41Å; N600-F604 PolarHBondContact O-N 2.88Å
601	L	82.5	Confident	82.7	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-44.6	-178.9	179.7	138.2	0	0	0	112.2	L339 N342 L343 A346 V597 L598 D599 T603 F604 L605	L339-L601 HydrophobicContact CB-CD1 3.43Å; L339-L601 VanDerWaalsContact CB-CD1 3.43Å; L339-L601 HydrophobicContact CD1-CB 4.06Å; L339-L601 HydrophobicContact CD1-CD1 3.89Å; L339-L601 HydrophobicContact CD1-CG 4.27Å; L339-L601 HydrophobicContact CD2-CD1 4.45Å; L339-L601 HydrophobicContact CG-CD1 4.12Å; N342-L601 HydrophobicContact CB-CD1 4.47Å; L343-L601 HydrophobicContact CD2-CD1 3.49Å; L343-L601 VanDerWaalsContact CD2-CD1 3.49Å; L343-L601 HydrophobicContact CD2-CD2 4.24Å; L343-L601 HydrophobicContact CD2-CG 4.21Å; L343-L601 HydrophobicContact CG-CD1 3.86Å; A346-L601 HydrophobicContact CB-CD2 2.97Å; A346-L601 HydrophobicContact CB-CG 4.43Å; V597-L601 WeakPolarHBondContact O-CB 3.47Å; V597-L601 PolarHBondContact O-N 3.38Å; L598-L601 PolarHBondContact O-N 3.41Å; D599-L601 VanDerWaalsContact C-N 3.31Å; D599-L601 PolarHBondContact O-N 3.04Å; L601-T603 VanDerWaalsContact C-N 3.34Å; L601-F604 PolarHBondContact O-N 3.25Å; L601-L605 HydrophobicContact CD2-CD1 3.63Å; L601-L605 HydrophobicContact CD2-CG 4.42Å; L601-L605 HydrophobicContact CG-CD1 4.2Å; L601-L605 VanDerWaalsContact O-CG 3.27Å; L601-L605 WeakPolarHBondContact O-CG 3.43Å; L601-L605 PolarHBondContact O-N 3.03Å
602	I	84.3	Confident	83.1	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.036	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-45.1	177.6	-71	154.8	0	0	0	110	A346 L598 D599 F604 L605 L606 V668	A346-I602 HydrophobicContact CB-CG1 4.12Å; L598-I602 HydrophobicContact CB-CD1 4.49Å; L598-I602 WeakPolarHBondContact O-CD1 3.25Å; L598-I602 WeakPolarHBondContact O-CG1 3.29Å; L598-I602 PolarHBondContact O-N 2.87Å; D599-I602 PolarHBondContact O-N 3.43Å; I602-F604 VanDerWaalsContact C-N 3.32Å; I602-F604 PolarHBondContact O-N 3.35Å; I602-L605 PolarHBondContact O-N 3.05Å; I602-L606 HydrophobicContact CG2-CD1 3.84Å; I602-L606 HydrophobicContact CG2-CG 4.31Å; I602-L606 WeakPolarHBondContact O-CB 3.08Å; I602-L606 VanDerWaalsContact O-CG 3.3Å; I602-L606 WeakPolarHBondContact O-CG 3.36Å; I602-L606 PolarHBondContact O-N 2.03Å; I602-V668 HydrophobicContact CD1-CG1 3.41Å; I602-V668 VanDerWaalsContact CD1-CG1 3.41Å; I602-V668 HydrophobicContact CG1-CG1 4.25Å; I602-V668 HydrophobicContact CG2-CB 4.47Å; I602-V668 HydrophobicContact CG2-CG1 4.13Å
603	T	85.1	Confident	83.6	Confident	80 Å²	80	40.9 Å²	40.9	49%	0.491	22%	0.215	S	C	.	.	H	α-helix	trans	-57.9	-45	176.6	-64.2	0	0	0	0	111.6	D599 L601 F607	D599-T603 VanDerWaalsContact O-CB 3.3Å; D599-T603 WeakPolarHBondContact O-CB 3.33Å; D599-T603 PolarHBondContact O-N 3.32Å; D599-T603 PolarHBondContact O-OG1 3.46Å; L601-T603 VanDerWaalsContact C-N 3.34Å; T603-F607 VanDerWaalsContact O-CB 3.3Å; T603-F607 WeakPolarHBondContact O-CB 3.33Å; T603-F607 PolarHBondContact O-N 2.81Å
604	F	85	Confident	84.5	Confident	37 Å²	37	34.3 Å²	34.3	16%	0.162	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-46.6	176.7	172.8	-105.3	0	0	0	112.9	I332 M335 L336 N600 L601 I602 L606 F607 I608	I332-F604 HydrophobicContact CG1-CE2 4.48Å; I332-F604 HydrophobicContact CG1-CZ 4.37Å; I332-F604 HydrophobicContact CG2-CZ 4.32Å; M335-F604 HydrophobicContact CB-CZ 4.41Å; L336-F604 HydrophobicContact CD2-CE1 4.26Å; N600-F604 VanDerWaalsContact O-CB 3.3Å; N600-F604 WeakPolarHBondContact O-CB 3.41Å; N600-F604 PolarHBondContact O-N 2.88Å; L601-F604 PolarHBondContact O-N 3.25Å; I602-F604 VanDerWaalsContact C-N 3.32Å; I602-F604 PolarHBondContact O-N 3.35Å; F604-L606 PolarHBondContact O-N 2.85Å; F604-F607 WeakPolarHBondContact O-CB 3.46Å; F604-F607 PolarHBondContact O-N 3.38Å; F604-I608 HydrophobicContact CD1-CD1 4.09Å; F604-I608 HydrophobicContact CE1-CD1 3.43Å; F604-I608 VanDerWaalsContact CE1-CD1 3.43Å; F604-I608 HydrophobicContact CE2-CD1 3.92Å; F604-I608 HydrophobicContact CE2-CG1 4.38Å; F604-I608 HydrophobicContact CZ-CD1 3.35Å; F604-I608 HydrophobicContact CZ-CG1 4.28Å; F604-I608 PolarHBondContact O-N 3.02Å
605	L	83.8	Confident	85.2	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-41.8	179.5	-68	173.8	0	0	0	112	L264 F347 M350 L601 I602 F607 I608 G609	L264-L605 HydrophobicContact CD1-CD1 3.96Å; L264-L605 HydrophobicContact CD1-CD2 4.21Å; L264-L605 HydrophobicContact CD2-CB 4.45Å; L264-L605 HydrophobicContact CD2-CD2 4.12Å; F347-L605 HydrophobicContact CE1-CD1 4.17Å; M350-L605 HydrophobicContact SD-CD1 3.78Å; L601-L605 HydrophobicContact CD2-CD1 3.63Å; L601-L605 HydrophobicContact CD2-CG 4.42Å; L601-L605 HydrophobicContact CG-CD1 4.2Å; L601-L605 VanDerWaalsContact O-CG 3.27Å; L601-L605 WeakPolarHBondContact O-CG 3.43Å; L601-L605 PolarHBondContact O-N 3.03Å; I602-L605 PolarHBondContact O-N 3.05Å; L605-F607 VanDerWaalsContact C-N 3.32Å; L605-I608 PolarHBondContact O-N 3.49Å; L605-G609 PolarHBondContact O-N 3.05Å; L605-G609 VanDerWaalsContact O-N 3.13Å
606	L	86.5	Confident	85.8	Confident	11 Å²	11	35.5 Å²	35.5	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-35.1	175.6	-67.3	178.3	0	0	0	111.6	M350 I602 F604 G609 K610 F661 Y664 A665	M350-L606 HydrophobicContact CE-CD2 4.13Å; I602-L606 HydrophobicContact CG2-CD1 3.84Å; I602-L606 HydrophobicContact CG2-CG 4.31Å; I602-L606 WeakPolarHBondContact O-CB 3.08Å; I602-L606 VanDerWaalsContact O-CG 3.3Å; I602-L606 WeakPolarHBondContact O-CG 3.36Å; I602-L606 PolarHBondContact O-N 2.03Å; F604-L606 PolarHBondContact O-N 2.85Å; L606-G609 PolarHBondContact O-N 2.81Å; L606-K610 WeakPolarHBondContact O-CG 3.5Å; L606-K610 PolarHBondContact O-N 3.29Å; L606-F661 HydrophobicContact CB-CD1 3.94Å; L606-F661 HydrophobicContact CD2-CD1 3.64Å; L606-F661 HydrophobicContact CD2-CE1 4.12Å; L606-F661 HydrophobicContact CG-CD1 4.37Å; L606-F661 VanDerWaalsContact O-CD1 3.31Å; L606-F661 WeakPolarHBondContact O-CD1 3.29Å; L606-F661 WeakPolarHBondContact O-CE1 3.38Å; L606-Y664 HydrophobicContact CD1-CD1 3.93Å; L606-Y664 HydrophobicContact CD2-CD1 3.51Å; L606-Y664 HydrophobicContact CD2-CE1 3.81Å; L606-Y664 HydrophobicContact CD2-CG 4.32Å; L606-Y664 HydrophobicContact CG-CD1 4.33Å; L606-A665 HydrophobicContact CD1-CB 3.83Å
607	F	88.3	Confident	86.6	Confident	102 Å²	102	32.5 Å²	32.5	45%	0.447	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-44.1	174.7	-179.7	-105.1	0	0	0	112.3	T603 F604 L605 G609 K610 L611	T603-F607 VanDerWaalsContact O-CB 3.3Å; T603-F607 WeakPolarHBondContact O-CB 3.33Å; T603-F607 PolarHBondContact O-N 2.81Å; F604-F607 WeakPolarHBondContact O-CB 3.46Å; F604-F607 PolarHBondContact O-N 3.38Å; L605-F607 VanDerWaalsContact C-N 3.32Å; F607-G609 VanDerWaalsContact C-N 3.32Å; F607-G609 PolarHBondContact O-N 3.4Å; F607-K610 WeakPolarHBondContact O-CB 3.42Å; F607-K610 PolarHBondContact O-N 3.45Å; F607-L611 HydrophobicContact CD1-CD1 4.06Å; F607-L611 HydrophobicContact CD1-CG 4.45Å; F607-L611 HydrophobicContact CE1-CD1 3.44Å; F607-L611 VanDerWaalsContact CE1-CD1 3.44Å; F607-L611 HydrophobicContact CE1-CG 4.04Å; F607-L611 HydrophobicContact CE2-CD2 4.46Å; F607-L611 HydrophobicContact CE2-CG 4.45Å; F607-L611 HydrophobicContact CZ-CD1 3.78Å; F607-L611 HydrophobicContact CZ-CD2 4.13Å; F607-L611 HydrophobicContact CZ-CG 4.04Å; F607-L611 PolarHBondContact O-N 3.03Å
608	I	85.4	Confident	87.3	Confident	6 Å²	6	31.2 Å²	31.2	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-56.7	-46.5	172.9	-78.9	173.4	0	0	0	111.1	M267 I271 F604 L605 K610 L611 V612	M267-I608 HydrophobicContact CB-CG2 4.29Å; M267-I608 HydrophobicContact CE-CG2 4.2Å; I271-I608 HydrophobicContact CD1-CB 4.38Å; I271-I608 HydrophobicContact CD1-CG1 4.22Å; I271-I608 HydrophobicContact CD1-CG2 3.56Å; F604-I608 HydrophobicContact CD1-CD1 4.09Å; F604-I608 HydrophobicContact CE1-CD1 3.43Å; F604-I608 VanDerWaalsContact CE1-CD1 3.43Å; F604-I608 HydrophobicContact CE2-CD1 3.92Å; F604-I608 HydrophobicContact CE2-CG1 4.38Å; F604-I608 HydrophobicContact CZ-CD1 3.35Å; F604-I608 HydrophobicContact CZ-CG1 4.28Å; F604-I608 PolarHBondContact O-N 3.02Å; L605-I608 PolarHBondContact O-N 3.49Å; I608-K610 VanDerWaalsContact C-N 3.31Å; I608-K610 PolarHBondContact O-N 3.32Å; I608-L611 PolarHBondContact O-N 3.38Å; I608-V612 PolarHBondContact O-N 2.96Å
609	G	88.8	Confident	87.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-40.5	177.6	0	0	0	0	0	112.8	L605 L606 F607 L611 I613	L605-G609 PolarHBondContact O-N 3.05Å; L605-G609 VanDerWaalsContact O-N 3.13Å; L606-G609 PolarHBondContact O-N 2.81Å; F607-G609 VanDerWaalsContact C-N 3.32Å; F607-G609 PolarHBondContact O-N 3.4Å; G609-L611 PolarHBondContact O-N 3.48Å; G609-I613 WeakPolarHBondContact O-CG1 3.39Å; G609-I613 PolarHBondContact O-N 3.14Å
610	K	91.8	Very high	88.2	Confident	26 Å²	26	36.9 Å²	36.9	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-45.3	174.1	-68.4	170.9	-173.5	-165.9	0	111.9	L606 F607 I608 S614 F654 T657 S658 F661 N662	L606-K610 WeakPolarHBondContact O-CG 3.5Å; L606-K610 PolarHBondContact O-N 3.29Å; F607-K610 WeakPolarHBondContact O-CB 3.42Å; F607-K610 PolarHBondContact O-N 3.45Å; I608-K610 VanDerWaalsContact C-N 3.31Å; I608-K610 PolarHBondContact O-N 3.32Å; K610-S614 WeakPolarHBondContact O-CB 3.33Å; K610-S614 PolarHBondContact O-N 2.9Å; K610-S614 PolarHBondContact O-OG 2.97Å; K610-F654 HydrophobicContact CB-CE2 4.21Å; K610-T657 HydrophobicContact CB-CG2 4.31Å; K610-T657 HydrophobicContact CG-CG2 4.11Å; K610-S658 PolarHBondContact NZ-OG 3.43Å; K610-F661 HydrophobicContact CD-CB 4.39Å; K610-F661 HydrophobicContact CG-CB 4.15Å; K610-F661 HydrophobicContact CG-CD1 4.02Å; K610-F661 HydrophobicContact CG-CD2 4.49Å; K610-F661 HydrophobicContact CG-CG 3.98Å; K610-N662 PolarHBondContact NZ-OD1 3.33Å
611	L	89.6	Confident	88.7	Confident	79 Å²	79	33.5 Å²	33.5	41%	0.414	20%	0.198	S	C	.	.	H	α-helix	trans	-66.8	-42.1	-179.1	-70.2	-175.7	0	0	0	113	F607 I608 G609 S614 G615	F607-L611 HydrophobicContact CD1-CD1 4.06Å; F607-L611 HydrophobicContact CD1-CG 4.45Å; F607-L611 HydrophobicContact CE1-CD1 3.44Å; F607-L611 VanDerWaalsContact CE1-CD1 3.44Å; F607-L611 HydrophobicContact CE1-CG 4.04Å; F607-L611 HydrophobicContact CE2-CD2 4.46Å; F607-L611 HydrophobicContact CE2-CG 4.45Å; F607-L611 HydrophobicContact CZ-CD1 3.78Å; F607-L611 HydrophobicContact CZ-CD2 4.13Å; F607-L611 HydrophobicContact CZ-CG 4.04Å; F607-L611 PolarHBondContact O-N 3.03Å; I608-L611 PolarHBondContact O-N 3.38Å; G609-L611 PolarHBondContact O-N 3.48Å; L611-S614 PolarHBondContact O-OG 2.76Å; L611-G615 WeakPolarHBondContact O-CA 3.39Å; L611-G615 PolarHBondContact O-N 3.33Å
612	V	89.5	Confident	88.9	Confident	55 Å²	55	38.5 Å²	38.5	33%	0.333	22%	0.22	S	C	.	.	H	α-helix	trans	-68.2	-42.4	-178.9	172.9	0	0	0	0	111.7	M267 I271 I608 G616	M267-V612 HydrophobicContact CE-CB 3.38Å; M267-V612 HydrophobicContact CE-CG1 3.74Å; M267-V612 HydrophobicContact CE-CG2 3.43Å; M267-V612 VanDerWaalsContact CE-CG2 3.43Å; M267-V612 HydrophobicContact SD-CB 3.98Å; M267-V612 HydrophobicContact SD-CG1 3.65Å; M267-V612 HydrophobicContact SD-CG2 3.99Å; I271-V612 HydrophobicContact CD1-CG2 3.83Å; I271-V612 HydrophobicContact CG1-CG2 4.01Å; I608-V612 PolarHBondContact O-N 2.96Å; V612-G616 WeakPolarHBondContact O-CA 3.31Å; V612-G616 PolarHBondContact O-N 3.44Å
613	I	92.7	Very high	89.1	Confident	17 Å²	17	41.2 Å²	41.2	9%	0.087	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-50.7	179.5	-63.6	170.3	0	0	0	110.5	T245 F248 F252 G609 I617 T657 F661	T245-I613 HydrophobicContact CG2-CG2 4.26Å; F248-I613 HydrophobicContact CB-CG2 4.28Å; F252-I613 HydrophobicContact CB-CD1 3.9Å; F252-I613 HydrophobicContact CD1-CD1 4.46Å; F252-I613 HydrophobicContact CD2-CD1 4.36Å; F252-I613 HydrophobicContact CG-CD1 4Å; G609-I613 WeakPolarHBondContact O-CG1 3.39Å; G609-I613 PolarHBondContact O-N 3.14Å; I613-I617 HydrophobicContact CG2-CD1 4.12Å; I613-I617 VanDerWaalsContact O-CG1 3.32Å; I613-I617 WeakPolarHBondContact O-CG1 3.17Å; I613-I617 PolarHBondContact O-N 3.36Å; I613-I617 VanDerWaalsContact O-N 3.13Å; I613-T657 HydrophobicContact CB-CG2 4.08Å; I613-T657 HydrophobicContact CD1-CG2 3.99Å; I613-T657 HydrophobicContact CG2-CG2 4.2Å; I613-F661 HydrophobicContact CD1-CE2 3.73Å; I613-F661 HydrophobicContact CD1-CZ 3.79Å
614	S	93.7	Very high	89.1	Confident	8 Å²	8	38.9 Å²	38.9	6%	0.056	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-42.1	-179.1	59	0	0	0	0	112.5	K610 L611 I617 G618	K610-S614 WeakPolarHBondContact O-CB 3.33Å; K610-S614 PolarHBondContact O-N 2.9Å; K610-S614 PolarHBondContact O-OG 2.97Å; L611-S614 PolarHBondContact O-OG 2.76Å; S614-I617 PolarHBondContact O-N 3.16Å; S614-G618 PolarHBondContact O-N 3.41Å
615	G	89.9	Confident	89.1	Confident	36 Å²	36	37.3 Å²	37.3	37%	0.371	21%	0.211	S	C	.	.	H	α-helix	trans	-65	-44.1	175.7	0	0	0	0	0	112.6	L611 I617 G618 V619	L611-G615 WeakPolarHBondContact O-CA 3.39Å; L611-G615 PolarHBondContact O-N 3.33Å; G615-I617 VanDerWaalsContact C-N 3.33Å; G615-I617 PolarHBondContact O-N 2.95Å; G615-G618 CarbonylContact O-C 3.55Å; G615-G618 WeakPolarHBondContact O-CA 3.33Å; G615-G618 PolarHBondContact O-N 3.49Å; G615-G618 VanDerWaalsContact O-N 3.12Å; G615-V619 WeakPolarHBondContact O-CG2 3.5Å; G615-V619 PolarHBondContact O-N 3.36Å
616	G	90.9	Very high	89.1	Confident	37 Å²	37	39.1 Å²	39.1	38%	0.381	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-43	176.8	0	0	0	0	0	112.4	V612 V619 L620	V612-G616 WeakPolarHBondContact O-CA 3.31Å; V612-G616 PolarHBondContact O-N 3.44Å; G616-V619 PolarHBondContact O-N 3.44Å; G616-L620 WeakPolarHBondContact O-CG 2.91Å; G616-L620 PolarHBondContact O-N 3.46Å
617	I	93.9	Very high	88.8	Confident	7 Å²	7	43 Å²	43	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-68.9	-36.4	175.3	-65.6	172.2	0	0	0	111.1	T245 F248 I613 S614 G615 L620 A621 L649	T245-I617 HydrophobicContact CG2-CD1 3.92Å; T245-I617 WeakPolarHBondContact OG1-CD1 3.23Å; F248-I617 HydrophobicContact CD2-CD1 4.1Å; F248-I617 HydrophobicContact CD2-CG1 4.4Å; I613-I617 HydrophobicContact CG2-CD1 4.12Å; I613-I617 VanDerWaalsContact O-CG1 3.32Å; I613-I617 WeakPolarHBondContact O-CG1 3.17Å; I613-I617 PolarHBondContact O-N 3.36Å; I613-I617 VanDerWaalsContact O-N 3.13Å; S614-I617 PolarHBondContact O-N 3.16Å; G615-I617 VanDerWaalsContact C-N 3.33Å; G615-I617 PolarHBondContact O-N 2.95Å; I617-L620 PolarHBondContact O-N 3.37Å; I617-A621 VanDerWaalsContact O-CB 3.24Å; I617-A621 WeakPolarHBondContact O-CB 3.37Å; I617-A621 PolarHBondContact O-N 3.21Å; I617-L649 HydrophobicContact CG2-CD1 4.45Å; I617-L649 HydrophobicContact CG2-CG 4.37Å
618	G	91	Very high	88.4	Confident	6 Å²	6	47.4 Å²	47.4	6%	0.062	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-42.8	172.4	0	0	0	0	0	113.3	S614 G615 A621 F622	S614-G618 PolarHBondContact O-N 3.41Å; G615-G618 CarbonylContact O-C 3.55Å; G615-G618 WeakPolarHBondContact O-CA 3.33Å; G615-G618 PolarHBondContact O-N 3.49Å; G615-G618 VanDerWaalsContact O-N 3.12Å; G618-A621 PolarHBondContact O-N 3.04Å; G618-F622 WeakPolarHBondContact O-CB 2.96Å; G618-F622 PolarHBondContact O-N 2.77Å
619	V	89.3	Confident	88.2	Confident	87 Å²	87	49.6 Å²	49.6	53%	0.527	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-46.3	175.2	175.6	0	0	0	0	110.6	G615 G616 A621 F622 L623	G615-V619 WeakPolarHBondContact O-CG2 3.5Å; G615-V619 PolarHBondContact O-N 3.36Å; G616-V619 PolarHBondContact O-N 3.44Å; V619-A621 VanDerWaalsContact C-N 3.31Å; V619-A621 PolarHBondContact O-N 3.1Å; V619-F622 PolarHBondContact O-N 2.78Å; V619-L623 HydrophobicContact CG1-CD1 4.18Å; V619-L623 HydrophobicContact CG1-CG 4.46Å; V619-L623 WeakPolarHBondContact O-CG 3.21Å; V619-L623 PolarHBondContact O-N 3.46Å
620	L	89.9	Confident	87.5	Confident	90 Å²	90	54.8 Å²	54.8	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-43.4	176.3	-70.1	172.4	0	0	0	111.6	G616 I617 L623 F624	G616-L620 WeakPolarHBondContact O-CG 2.91Å; G616-L620 PolarHBondContact O-N 3.46Å; I617-L620 PolarHBondContact O-N 3.37Å; L620-L623 PolarHBondContact O-N 2.65Å; L620-F624 WeakPolarHBondContact O-CB 3.33Å; L620-F624 PolarHBondContact O-N 3.24Å
621	A	90	Very high	86.8	Confident	7 Å²	7	60.8 Å²	60.8	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-42.8	176	0	0	0	0	0	112.3	I617 G618 V619 L623 F624 F625 L646 L649	I617-A621 VanDerWaalsContact O-CB 3.24Å; I617-A621 WeakPolarHBondContact O-CB 3.37Å; I617-A621 PolarHBondContact O-N 3.21Å; G618-A621 PolarHBondContact O-N 3.04Å; V619-A621 VanDerWaalsContact C-N 3.31Å; V619-A621 PolarHBondContact O-N 3.1Å; A621-L623 PolarHBondContact O-N 2.76Å; A621-F624 PolarHBondContact O-N 2.98Å; A621-F625 HydrophobicContact CB-CD2 4.41Å; A621-F625 HydrophobicContact CB-CE2 4.47Å; A621-F625 VanDerWaalsContact O-CD2 3.22Å; A621-F625 WeakPolarHBondContact O-CD2 3.37Å; A621-F625 PolarHBondContact O-N 3.4Å; A621-L646 HydrophobicContact CB-CD1 3.58Å; A621-L649 HydrophobicContact CB-CD2 3.51Å; A621-L649 HydrophobicContact CB-CG 4.33Å
622	F	88.3	Confident	86.2	Confident	108 Å²	108	58.6 Å²	58.6	47%	0.474	32%	0.32	S	S	.	.	H	α-helix	trans	-61.5	-45	176.9	172.5	-98.7	0	0	0	111.3	G618 V619 F624 S626 L646	G618-F622 WeakPolarHBondContact O-CB 2.96Å; G618-F622 PolarHBondContact O-N 2.77Å; V619-F622 PolarHBondContact O-N 2.78Å; F622-F624 VanDerWaalsContact C-N 3.29Å; F622-F624 PolarHBondContact O-N 3.29Å; F622-S626 WeakPolarHBondContact CE2-OG 3.47Å; F622-S626 WeakPolarHBondContact O-CB 3.41Å; F622-S626 PolarHBondContact O-N 3.3Å; F622-S626 PolarHBondContact O-OG 2.82Å; F622-L646 HydrophobicContact CB-CD1 4.09Å; F622-L646 HydrophobicContact CB-CD2 4.2Å; F622-L646 HydrophobicContact CD2-CD2 3.91Å
623	L	86.9	Confident	85.6	Confident	64 Å²	64	60.8 Å²	60.8	34%	0.335	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-37.1	177.3	-67	175.4	0	0	0	111.9	V619 L620 A621 R628 I629	V619-L623 HydrophobicContact CG1-CD1 4.18Å; V619-L623 HydrophobicContact CG1-CG 4.46Å; V619-L623 WeakPolarHBondContact O-CG 3.21Å; V619-L623 PolarHBondContact O-N 3.46Å; L620-L623 PolarHBondContact O-N 2.65Å; A621-L623 PolarHBondContact O-N 2.76Å; L623-R628 HydrophobicContact CD2-CB 4.17Å; L623-R628 PolarHBondContact O-N 2.86Å; L623-I629 HydrophobicContact CB-CD1 3.96Å; L623-I629 HydrophobicContact CB-CG1 3.94Å
624	F	86.8	Confident	84.8	Confident	30 Å²	30	67.8 Å²	67.8	13%	0.132	36%	0.364	C	S	.	.	H	α-helix	trans	-67.1	-58.6	176.1	-178.9	-100.8	0	0	0	112.2	W237 L620 A621 F622 S626 K627 I629 V632 V636	W237-F624 HydrophobicContact CB-CE1 4.25Å; W237-F624 AromaticContact CD2-CE1 3.9Å; W237-F624 HydrophobicContact CD2-CE1 3.9Å; W237-F624 AromaticContact CD2-CZ 3.58Å; W237-F624 HydrophobicContact CD2-CZ 3.58Å; W237-F624 AromaticContact CE2-CZ 3.85Å; W237-F624 HydrophobicContact CE3-CE1 4.09Å; W237-F624 HydrophobicContact CE3-CE2 4.24Å; W237-F624 AromaticContact CE3-CZ 3.56Å; W237-F624 HydrophobicContact CE3-CZ 3.56Å; W237-F624 AromaticContact CG-CE1 3.97Å; W237-F624 HydrophobicContact CG-CE1 3.97Å; W237-F624 HydrophobicContact CG-CZ 4.14Å; W237-F624 HydrophobicContact CH2-CE2 4.46Å; W237-F624 HydrophobicContact CH2-CZ 4.11Å; W237-F624 HydrophobicContact CZ2-CZ 4.12Å; W237-F624 HydrophobicContact CZ3-CE2 4.16Å; W237-F624 AromaticContact CZ3-CZ 3.84Å; W237-F624 HydrophobicContact CZ3-CZ 3.84Å; L620-F624 WeakPolarHBondContact O-CB 3.33Å; L620-F624 PolarHBondContact O-N 3.24Å; A621-F624 PolarHBondContact O-N 2.98Å; F622-F624 VanDerWaalsContact C-N 3.29Å; F622-F624 PolarHBondContact O-N 3.29Å; F624-S626 PolarHBondContact O-N 3.09Å; F624-K627 PolarHBondContact O-N 3.42Å; F624-I629 HydrophobicContact CB-CD1 4.46Å; F624-V632 HydrophobicContact CD2-CG2 3.81Å; F624-V632 HydrophobicContact CE2-CB 4.22Å; F624-V632 HydrophobicContact CE2-CG2 3.98Å; F624-V636 HydrophobicContact CE2-CG2 4.23Å; F624-V636 HydrophobicContact CZ-CG2 4.24Å; F624-V636 WeakPolarHBondContact O-CG2 3.43Å
625	F	84.4	Confident	84.1	Confident	5 Å²	5	72.8 Å²	72.8	2%	0.022	39%	0.388	C	S	.	.	H	α-helix	trans	-67	-24.6	-178.2	-71.2	-63.7	0	0	0	113.2	A621 K627 L639 P645 L646	A621-F625 HydrophobicContact CB-CD2 4.41Å; A621-F625 HydrophobicContact CB-CE2 4.47Å; A621-F625 VanDerWaalsContact O-CD2 3.22Å; A621-F625 WeakPolarHBondContact O-CD2 3.37Å; A621-F625 PolarHBondContact O-N 3.4Å; F625-K627 VanDerWaalsContact C-N 3.26Å; F625-K627 PolarHBondContact O-N 3.16Å; F625-L639 HydrophobicContact CD1-CD1 3.71Å; F625-L639 HydrophobicContact CE1-CD1 3.98Å; F625-P645 HydrophobicContact CE1-CB 4.04Å; F625-P645 HydrophobicContact CE2-CB 4.11Å; F625-P645 HydrophobicContact CZ-CB 3.71Å; F625-L646 HydrophobicContact CD2-CB 4.32Å
626	S	82.6	Confident	83.6	Confident	40 Å²	40	71.7 Å²	71.7	28%	0.28	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.4	174.6	-54.2	0	0	0	0	113.9	F622 F624 R628	F622-S626 WeakPolarHBondContact CE2-OG 3.47Å; F622-S626 WeakPolarHBondContact O-CB 3.41Å; F622-S626 PolarHBondContact O-N 3.3Å; F622-S626 PolarHBondContact O-OG 2.82Å; F624-S626 PolarHBondContact O-N 3.09Å; S626-R628 PolarHBondContact O-N 2.86Å; S626-R628 VanDerWaalsContact O-N 3.11Å
627	K	81.8	Confident	83.1	Confident	93 Å²	93	71 Å²	71	40%	0.404	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	29	-179.4	-58.3	-176	-179.2	-174.5	0	113.7	F624 F625 Q633 V636	F624-K627 PolarHBondContact O-N 3.42Å; F625-K627 VanDerWaalsContact C-N 3.26Å; F625-K627 PolarHBondContact O-N 3.16Å; K627-Q633 HydrophobicContact CB-CG 4.3Å; K627-V636 HydrophobicContact CG-CB 4.03Å; K627-V636 HydrophobicContact CG-CG1 3.93Å; K627-V636 HydrophobicContact CG-CG2 4.09Å
628	R	79.8	Confident	82.4	Confident	195 Å²	195	78.8 Å²	78.8	74%	0.736	40%	0.399	S	S	*	.			trans	-85.6	-10.7	-178.5	-67.9	-66.3	-170.1	166.5	0.9	112.9	L623 S626 P630	L623-R628 HydrophobicContact CD2-CB 4.17Å; L623-R628 PolarHBondContact O-N 2.86Å; S626-R628 PolarHBondContact O-N 2.86Å; S626-R628 VanDerWaalsContact O-N 3.11Å; R628-P630 WeakPolarHBondContact O-CD 3.49Å
629	I	79.8	Confident	81.9	Confident	52 Å²	52	79.8 Å²	79.8	27%	0.267	40%	0.403	S	S	.	.			trans	-94.9	108.7	177.3	-55.4	174.2	0	0	0	108.2	L623 F624 I631 V632 Q633	L623-I629 HydrophobicContact CB-CD1 3.96Å; L623-I629 HydrophobicContact CB-CG1 3.94Å; F624-I629 HydrophobicContact CB-CD1 4.46Å; I629-I631 HydrophobicContact CG2-CB 4.42Å; I629-I631 PolarHBondContact O-N 3.39Å; I629-I631 VanDerWaalsContact O-N 3.15Å; I629-V632 HydrophobicContact CB-CG2 3.69Å; I629-V632 HydrophobicContact CD1-CG2 4.47Å; I629-V632 HydrophobicContact CG2-CG2 3.69Å; I629-V632 PolarHBondContact O-N 2.93Å; I629-Q633 PolarHBondContact O-N 3.3Å
630	P	74.5	Confident	81.4	Confident	109 Å²	109	79.8 Å²	79.8	71%	0.708	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.8	-172.3	23.5	-32.7	0	0	0	113.6	R628	R628-P630 WeakPolarHBondContact O-CD 3.49Å
631	I	76.9	Confident	80.9	Confident	151 Å²	151	78.3 Å²	78.3	77%	0.774	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-24.3	-176.3	-58.3	169.8	0	0	0	112.5	I629	I629-I631 HydrophobicContact CG2-CB 4.42Å; I629-I631 PolarHBondContact O-N 3.39Å; I629-I631 VanDerWaalsContact O-N 3.15Å
632	V	78.2	Confident	80.5	Confident	33 Å²	33	81.5 Å²	81.5	20%	0.2	41%	0.406	C	S	.	.	S	Bend	trans	-125.3	13.1	-169.8	-64.1	0	0	0	0	113.2	F624 I629 D634 M635 V636	F624-V632 HydrophobicContact CD2-CG2 3.81Å; F624-V632 HydrophobicContact CE2-CB 4.22Å; F624-V632 HydrophobicContact CE2-CG2 3.98Å; I629-V632 HydrophobicContact CB-CG2 3.69Å; I629-V632 HydrophobicContact CD1-CG2 4.47Å; I629-V632 HydrophobicContact CG2-CG2 3.69Å; I629-V632 PolarHBondContact O-N 2.93Å; V632-D634 PolarHBondContact O-N 3.48Å; V632-M635 HydrophobicContact CG1-SD 4.45Å; V632-M635 PolarHBondContact O-N 3.04Å; V632-V636 WeakPolarHBondContact O-CG2 3.38Å
633	Q	75.7	Confident	80.1	Confident	101 Å²	101	82.9 Å²	82.9	47%	0.472	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-57.8	-36.5	-174.6	-178.3	168.5	-8.1	0	0	113	K627 I629 M635	K627-Q633 HydrophobicContact CB-CG 4.3Å; I629-Q633 PolarHBondContact O-N 3.3Å; Q633-M635 VanDerWaalsContact C-N 3.3Å; Q633-M635 PolarHBondContact O-N 3.5Å
634	D	76.8	Confident	79.9	Confident	165 Å²	165	80.2 Å²	80.2	88%	0.882	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-77.8	-14	-179.9	-59.2	-33.6	0	0	0	113.5	V632	V632-D634 PolarHBondContact O-N 3.48Å
635	M	78.5	Confident	79.9	Confident	113 Å²	113	78.8 Å²	78.8	56%	0.557	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-91.4	-8.4	179.3	-59.1	-174.6	-174.6	0	0	113	W237 V632 Q633	W237-M635 HydrophobicContact CH2-CB 4.1Å; W237-M635 HydrophobicContact CH2-SD 4.28Å; W237-M635 HydrophobicContact CZ2-CB 3.91Å; V632-M635 HydrophobicContact CG1-SD 4.45Å; V632-M635 PolarHBondContact O-N 3.04Å; Q633-M635 VanDerWaalsContact C-N 3.3Å; Q633-M635 PolarHBondContact O-N 3.5Å
636	V	79.9	Confident	80.1	Confident	13 Å²	13	79.8 Å²	79.8	8%	0.079	39%	0.393	C	S	.	.	S	Bend	trans	-78.5	122.5	-176.1	-177.5	0	0	0	0	110	F624 K627 V632	F624-V636 HydrophobicContact CE2-CG2 4.23Å; F624-V636 HydrophobicContact CZ-CG2 4.24Å; F624-V636 WeakPolarHBondContact O-CG2 3.43Å; K627-V636 HydrophobicContact CG-CB 4.03Å; K627-V636 HydrophobicContact CG-CG1 3.93Å; K627-V636 HydrophobicContact CG-CG2 4.09Å; V632-V636 WeakPolarHBondContact O-CG2 3.38Å
637	P	80.3	Confident	80.4	Confident	22 Å²	22	81.6 Å²	81.6	14%	0.143	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-63.3	150.2	179	26.4	-33.5	0	0	0	111.3	N233 L639	N233-P637 HydrophobicContact CB-CB 4.37Å; P637-L639 HydrophobicContact CB-CD2 4.4Å; P637-L639 HydrophobicContact CB-CG 4.5Å; P637-L639 HydrophobicContact CG-CD1 4.33Å; P637-L639 HydrophobicContact CG-CD2 4.28Å; P637-L639 HydrophobicContact CG-CG 4.25Å; P637-L639 PolarHBondContact O-N 3.5Å
638	Q	79.8	Confident	80.8	Confident	170 Å²	170	79.2 Å²	79.2	79%	0.794	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-75	123.5	168	-63.5	-171	2.3	0	0	108.4
639	L	79.6	Confident	81.5	Confident	27 Å²	27	70.3 Å²	70.3	14%	0.141	36%	0.36	C	S	.	.			trans	-127.5	144.9	-176.3	-59.2	166.8	0	0	0	108.9	D230 N233 F625 P637 N642 P645	D230-L639 HydrophobicContact CB-CD2 3.97Å; D230-L639 WeakPolarHBondContact O-CD2 3.48Å; N233-L639 HydrophobicContact CB-CD2 4.37Å; F625-L639 HydrophobicContact CD1-CD1 3.71Å; F625-L639 HydrophobicContact CE1-CD1 3.98Å; P637-L639 HydrophobicContact CB-CD2 4.4Å; P637-L639 HydrophobicContact CB-CG 4.5Å; P637-L639 HydrophobicContact CG-CD1 4.33Å; P637-L639 HydrophobicContact CG-CD2 4.28Å; P637-L639 HydrophobicContact CG-CG 4.25Å; P637-L639 PolarHBondContact O-N 3.5Å; L639-N642 WeakPolarHBondContact CB-OD1 3.44Å; L639-P645 HydrophobicContact CD1-CG 3.99Å; L639-P645 HydrophobicContact CD2-CG 4.34Å
640	N	78.7	Confident	82.1	Confident	87 Å²	87	70.7 Å²	70.7	47%	0.465	36%	0.362	S	S	.	.	S	Bend	trans	-71.8	-45.8	171.6	-61.6	-82.8	0	0	0	109.9	K226 D230	K226-N640 HydrophobicContact CB-CB 4.48Å; D230-N640 WeakPolarHBondContact OD1-CB 3.41Å; D230-N640 PolarHBondContact OD1-N 2.88Å; D230-N640 PolarHBondContact OD1-ND2 3.29Å
641	F	79.9	Confident	82.9	Confident	59 Å²	59	69.8 Å²	69.8	26%	0.259	35%	0.35	S	S	.	.			trans	-125.8	91.2	-178.7	-58.6	-73.6	0	0	0	111.8	K226 D230 W643 V644 P645	K226-F641 HydrophobicContact CB-CD2 4.24Å; K226-F641 HydrophobicContact CB-CE2 3.76Å; K226-F641 HydrophobicContact CD-CE2 3.99Å; K226-F641 HydrophobicContact CD-CZ 4.44Å; D230-F641 WeakPolarHBondContact OD2-CB 3.5Å; D230-F641 PolarHBondContact OD2-N 3.41Å; F641-W643 AromaticContact CD1-NE1 3.66Å; F641-W643 PolarHBondContact O-N 2.98Å; F641-V644 HydrophobicContact CB-CB 4.29Å; F641-V644 HydrophobicContact CB-CG2 3.68Å; F641-V644 HydrophobicContact CG-CG2 4.49Å; F641-V644 PolarHBondContact O-N 2.04Å; F641-P645 WeakPolarHBondContact O-CD 3.28Å
642	N	80.8	Confident	83.6	Confident	75 Å²	75	63.3 Å²	63.3	40%	0.401	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.7	177.9	-66.3	-17.6	0	0	0	113.9	L639 V644 L646	L639-N642 WeakPolarHBondContact CB-OD1 3.44Å; N642-V644 VanDerWaalsContact C-N 3.3Å; N642-V644 PolarHBondContact O-N 3.43Å; N642-L646 WeakPolarHBondContact O-CB 3.17Å
643	W	80.9	Confident	84.4	Confident	137 Å²	137	61.7 Å²	61.7	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-72.3	-22.2	-178.5	68.2	-94.8	0	0	0	113.1	F641 L647	F641-W643 AromaticContact CD1-NE1 3.66Å; F641-W643 PolarHBondContact O-N 2.98Å; W643-L647 HydrophobicContact CE3-CD2 4.27Å; W643-L647 HydrophobicContact CZ3-CD2 4.01Å; W643-L647 VanDerWaalsContact O-CB 3.23Å; W643-L647 WeakPolarHBondContact O-CB 3.26Å; W643-L647 PolarHBondContact O-N 3.41Å
644	V	83.2	Confident	85.3	Confident	7 Å²	7	60.7 Å²	60.7	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-70.9	-57.5	-176	171.1	0	0	0	0	111	I227 Y231 F641 N642 L646 L647 T648	I227-V644 HydrophobicContact CB-CG1 4.49Å; I227-V644 HydrophobicContact CD1-CG2 4.43Å; I227-V644 HydrophobicContact CG1-CG1 4.17Å; I227-V644 HydrophobicContact CG1-CG2 4.04Å; I227-V644 HydrophobicContact CG2-CG1 3.91Å; Y231-V644 HydrophobicContact CE2-CG1 4.24Å; F641-V644 HydrophobicContact CB-CB 4.29Å; F641-V644 HydrophobicContact CB-CG2 3.68Å; F641-V644 HydrophobicContact CG-CG2 4.49Å; F641-V644 PolarHBondContact O-N 2.04Å; N642-V644 VanDerWaalsContact C-N 3.3Å; N642-V644 PolarHBondContact O-N 3.43Å; V644-L646 PolarHBondContact O-N 2.81Å; V644-L647 PolarHBondContact O-N 2.64Å; V644-T648 PolarHBondContact O-N 3.3Å; V644-T648 PolarHBondContact O-OG1 3.05Å; V644-T648 VanDerWaalsContact O-OG1 3.09Å
645	P	86.8	Confident	86	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-36.4	173.1	-28.1	38.5	0	0	0	113.3	S234 I238 F625 L639 F641 T648 L649	S234-P645 WeakPolarHBondContact OG-CG 3.17Å; I238-P645 HydrophobicContact CD1-CB 4.08Å; I238-P645 HydrophobicContact CG1-CB 4.36Å; F625-P645 HydrophobicContact CE1-CB 4.04Å; F625-P645 HydrophobicContact CE2-CB 4.11Å; F625-P645 HydrophobicContact CZ-CB 3.71Å; L639-P645 HydrophobicContact CD1-CG 3.99Å; L639-P645 HydrophobicContact CD2-CG 4.34Å; F641-P645 WeakPolarHBondContact O-CD 3.28Å; P645-T648 PolarHBondContact O-N 3.26Å; P645-L649 WeakPolarHBondContact O-CB 3.27Å; P645-L649 PolarHBondContact O-N 2.99Å
646	L	88.8	Confident	86.6	Confident	26 Å²	26	54.1 Å²	54.1	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-52.3	176.3	173.9	62.7	0	0	0	111.7	A621 F622 F625 N642 V644 T648 L649 I650	A621-L646 HydrophobicContact CB-CD1 3.58Å; F622-L646 HydrophobicContact CB-CD1 4.09Å; F622-L646 HydrophobicContact CB-CD2 4.2Å; F622-L646 HydrophobicContact CD2-CD2 3.91Å; F625-L646 HydrophobicContact CD2-CB 4.32Å; N642-L646 WeakPolarHBondContact O-CB 3.17Å; V644-L646 PolarHBondContact O-N 2.81Å; L646-T648 VanDerWaalsContact C-N 3.29Å; L646-T648 PolarHBondContact O-N 3.3Å; L646-L649 PolarHBondContact O-N 3.03Å; L646-I650 HydrophobicContact CD1-CD1 3.89Å; L646-I650 HydrophobicContact CD1-CG1 4.32Å; L646-I650 HydrophobicContact CG-CD1 3.96Å; L646-I650 WeakPolarHBondContact O-CG1 3.04Å; L646-I650 PolarHBondContact O-N 3.45Å
647	L	88.5	Confident	87.3	Confident	78 Å²	78	53.5 Å²	53.5	41%	0.408	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-40.8	179.9	-177.7	62.7	0	0	0	110.6	W643 V644 L649 I650 I651	W643-L647 HydrophobicContact CE3-CD2 4.27Å; W643-L647 HydrophobicContact CZ3-CD2 4.01Å; W643-L647 VanDerWaalsContact O-CB 3.23Å; W643-L647 WeakPolarHBondContact O-CB 3.26Å; W643-L647 PolarHBondContact O-N 3.41Å; V644-L647 PolarHBondContact O-N 2.64Å; L647-L649 VanDerWaalsContact C-N 3.35Å; L647-L649 PolarHBondContact O-N 3.42Å; L647-I650 PolarHBondContact O-N 3.49Å; L647-I651 HydrophobicContact CD1-CD1 3.92Å; L647-I651 HydrophobicContact CD1-CG1 4.17Å; L647-I651 HydrophobicContact CD2-CD1 4.35Å; L647-I651 HydrophobicContact CG-CD1 3.73Å; L647-I651 HydrophobicContact CG-CG1 4.35Å; L647-I651 WeakPolarHBondContact O-CB 3.47Å; L647-I651 VanDerWaalsContact O-CG1 3.27Å; L647-I651 WeakPolarHBondContact O-CG1 3.41Å; L647-I651 PolarHBondContact O-N 3.36Å
648	T	89.3	Confident	87.8	Confident	44 Å²	44	53.7 Å²	53.7	27%	0.27	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-40.2	177.2	-59.4	0	0	0	0	112.2	Y231 V644 P645 L646 G652	Y231-T648 HydrophobicContact CE1-CG2 3.84Å; Y231-T648 PolarHBondContact OH-OG1 3.01Å; V644-T648 PolarHBondContact O-N 3.3Å; V644-T648 PolarHBondContact O-OG1 3.05Å; V644-T648 VanDerWaalsContact O-OG1 3.09Å; P645-T648 PolarHBondContact O-N 3.26Å; L646-T648 VanDerWaalsContact C-N 3.29Å; L646-T648 PolarHBondContact O-N 3.3Å; T648-G652 WeakPolarHBondContact O-CA 3.4Å; T648-G652 PolarHBondContact O-N 2.8Å
649	L	93.8	Very high	88.3	Confident	8 Å²	8	46 Å²	46	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-39.5	174.8	-179.5	55.2	0	0	0	111.8	L242 I617 A621 P645 L646 L647 S653	L242-L649 HydrophobicContact CD2-CD1 3.89Å; L242-L649 HydrophobicContact CG-CD1 3.99Å; I617-L649 HydrophobicContact CG2-CD1 4.45Å; I617-L649 HydrophobicContact CG2-CG 4.37Å; A621-L649 HydrophobicContact CB-CD2 3.51Å; A621-L649 HydrophobicContact CB-CG 4.33Å; P645-L649 WeakPolarHBondContact O-CB 3.27Å; P645-L649 PolarHBondContact O-N 2.99Å; L646-L649 PolarHBondContact O-N 3.03Å; L647-L649 VanDerWaalsContact C-N 3.35Å; L647-L649 PolarHBondContact O-N 3.42Å; L649-S653 WeakPolarHBondContact O-CA 3.43Å; L649-S653 WeakPolarHBondContact O-CB 3.34Å; L649-S653 PolarHBondContact O-N 3.38Å
650	I	92.4	Very high	88.8	Confident	60 Å²	60	45.3 Å²	45.3	31%	0.308	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-49.6	175.3	-69.9	168	0	0	0	110.8	L646 L647 S653 F654	L646-I650 HydrophobicContact CD1-CD1 3.89Å; L646-I650 HydrophobicContact CD1-CG1 4.32Å; L646-I650 HydrophobicContact CG-CD1 3.96Å; L646-I650 WeakPolarHBondContact O-CG1 3.04Å; L646-I650 PolarHBondContact O-N 3.45Å; L647-I650 PolarHBondContact O-N 3.49Å; I650-S653 PolarHBondContact O-N 2.76Å; I650-F654 WeakPolarHBondContact O-CB 3.02Å; I650-F654 PolarHBondContact O-N 3.16Å
651	I	92.6	Very high	89.4	Confident	89 Å²	89	41.2 Å²	41.2	46%	0.456	21%	0.209	S	C	.	.	H	α-helix	trans	-63.4	-48.3	179.3	-67.9	171.8	0	0	0	110.1	L647 S653 F654 M655	L647-I651 HydrophobicContact CD1-CD1 3.92Å; L647-I651 HydrophobicContact CD1-CG1 4.17Å; L647-I651 HydrophobicContact CD2-CD1 4.35Å; L647-I651 HydrophobicContact CG-CD1 3.73Å; L647-I651 HydrophobicContact CG-CG1 4.35Å; L647-I651 WeakPolarHBondContact O-CB 3.47Å; L647-I651 VanDerWaalsContact O-CG1 3.27Å; L647-I651 WeakPolarHBondContact O-CG1 3.41Å; L647-I651 PolarHBondContact O-N 3.36Å; I651-S653 VanDerWaalsContact C-N 3.33Å; I651-S653 PolarHBondContact O-N 3.41Å; I651-F654 PolarHBondContact O-N 3.23Å; I651-M655 HydrophobicContact CG2-CG 4.49Å; I651-M655 HydrophobicContact CG2-SD 4.16Å; I651-M655 WeakPolarHBondContact O-CG 3.32Å; I651-M655 PolarHBondContact O-N 2.77Å
652	G	91.7	Very high	89.9	Confident	15 Å²	15	42.1 Å²	42.1	16%	0.155	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-41.8	178.2	0	0	0	0	0	112.1	T648 M655 I656	T648-G652 WeakPolarHBondContact O-CA 3.4Å; T648-G652 PolarHBondContact O-N 2.8Å; G652-M655 PolarHBondContact O-N 2.91Å; G652-I656 WeakPolarHBondContact O-CG1 3.23Å; G652-I656 PolarHBondContact O-N 2.87Å
653	S	95.3	Very high	90.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-42.9	175.7	-176.6	0	0	0	0	111.8	T245 L649 I650 I651 I656 T657	T245-S653 WeakPolarHBondContact CG2-O 3.21Å; T245-S653 WeakPolarHBondContact CG2-OG 3.29Å; T245-S653 WeakPolarHBondContact OG1-CB 3.43Å; T245-S653 PolarHBondContact OG1-OG 2.87Å; L649-S653 WeakPolarHBondContact O-CA 3.43Å; L649-S653 WeakPolarHBondContact O-CB 3.34Å; L649-S653 PolarHBondContact O-N 3.38Å; I650-S653 PolarHBondContact O-N 2.76Å; I651-S653 VanDerWaalsContact C-N 3.33Å; I651-S653 PolarHBondContact O-N 3.41Å; S653-I656 PolarHBondContact O-N 3.36Å; S653-T657 WeakPolarHBondContact O-CB 3.49Å; S653-T657 PolarHBondContact O-N 3.14Å; S653-T657 PolarHBondContact O-OG1 3.17Å
654	F	94.4	Very high	91	Very high	79 Å²	79	32.3 Å²	32.3	35%	0.346	17%	0.174	S	C	.	.	H	α-helix	trans	-62.9	-41	173.1	-175.5	-95.2	0	0	0	112.3	K610 I650 I651 S658	K610-F654 HydrophobicContact CB-CE2 4.21Å; I650-F654 WeakPolarHBondContact O-CB 3.02Å; I650-F654 PolarHBondContact O-N 3.16Å; I651-F654 PolarHBondContact O-N 3.23Å; F654-S658 WeakPolarHBondContact O-CB 3.08Å; F654-S658 PolarHBondContact O-N 3.42Å
655	M	91.1	Very high	91.4	Very high	105 Å²	105	33.1 Å²	33.1	52%	0.517	18%	0.181	S	C	.	.	H	α-helix	trans	-63.3	-47.3	176.9	-72.8	179.7	68.9	0	0	112.3	I651 G652 S658 G659	I651-M655 HydrophobicContact CG2-CG 4.49Å; I651-M655 HydrophobicContact CG2-SD 4.16Å; I651-M655 WeakPolarHBondContact O-CG 3.32Å; I651-M655 PolarHBondContact O-N 2.77Å; G652-M655 PolarHBondContact O-N 2.91Å; M655-S658 PolarHBondContact O-N 2.64Å; M655-G659 PolarHBondContact O-N 2.69Å
656	I	91.1	Very high	91.7	Very high	36 Å²	36	33.8 Å²	33.8	19%	0.185	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-52.3	177.4	-70	175.2	0	0	0	110	L242 T245 M246 G652 S653 S658 G659 F660	L242-I656 HydrophobicContact CB-CD1 3.66Å; L242-I656 HydrophobicContact CD2-CD1 3.67Å; L242-I656 HydrophobicContact CG-CD1 4.13Å; T245-I656 HydrophobicContact CG2-CB 4.07Å; T245-I656 HydrophobicContact CG2-CG2 3.94Å; M246-I656 HydrophobicContact CB-CG2 4.37Å; G652-I656 WeakPolarHBondContact O-CG1 3.23Å; G652-I656 PolarHBondContact O-N 2.87Å; S653-I656 PolarHBondContact O-N 3.36Å; I656-S658 VanDerWaalsContact C-N 3.27Å; I656-S658 PolarHBondContact O-N 3.22Å; I656-G659 WeakPolarHBondContact O-CA 3.33Å; I656-G659 PolarHBondContact O-N 2.76Å; I656-F660 HydrophobicContact CG2-CD2 3.9Å; I656-F660 HydrophobicContact CG2-CE2 3.69Å; I656-F660 VanDerWaalsContact O-CD2 3.29Å; I656-F660 WeakPolarHBondContact O-CD2 3.07Å; I656-F660 PolarHBondContact O-N 3.03Å; I656-F660 VanDerWaalsContact O-N 3.15Å
657	T	93.4	Very high	92	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-41.8	179.4	-50.8	0	0	0	0	110.8	T245 K610 I613 S653 G659 F660 F661	T245-T657 VanDerWaalsContact CG2-OG1 3.25Å; T245-T657 WeakPolarHBondContact CG2-OG1 3.33Å; K610-T657 HydrophobicContact CB-CG2 4.31Å; K610-T657 HydrophobicContact CG-CG2 4.11Å; I613-T657 HydrophobicContact CB-CG2 4.08Å; I613-T657 HydrophobicContact CD1-CG2 3.99Å; I613-T657 HydrophobicContact CG2-CG2 4.2Å; S653-T657 WeakPolarHBondContact O-CB 3.49Å; S653-T657 PolarHBondContact O-N 3.14Å; S653-T657 PolarHBondContact O-OG1 3.17Å; T657-G659 VanDerWaalsContact C-N 3.35Å; T657-G659 PolarHBondContact O-N 3Å; T657-F660 PolarHBondContact O-N 2.04Å; T657-F661 HydrophobicContact CG2-CD2 3.67Å; T657-F661 HydrophobicContact CG2-CE2 3.53Å; T657-F661 HydrophobicContact CG2-CZ 4.31Å; T657-F661 WeakPolarHBondContact O-CB 3.24Å; T657-F661 WeakPolarHBondContact O-CD2 3.42Å; T657-F661 PolarHBondContact O-N 3.46Å
658	S	91.5	Very high	92.1	Very high	25 Å²	25	28.9 Å²	28.9	18%	0.175	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-41.6	175.6	-166.4	0	0	0	0	112	K610 F654 M655 I656 F660 F661 N662	K610-S658 PolarHBondContact NZ-OG 3.43Å; F654-S658 WeakPolarHBondContact O-CB 3.08Å; F654-S658 PolarHBondContact O-N 3.42Å; M655-S658 PolarHBondContact O-N 2.64Å; I656-S658 VanDerWaalsContact C-N 3.27Å; I656-S658 PolarHBondContact O-N 3.22Å; S658-F660 PolarHBondContact O-N 3.31Å; S658-F661 PolarHBondContact O-N 3.13Å; S658-N662 VanDerWaalsContact O-CB 3.24Å; S658-N662 WeakPolarHBondContact O-CB 3.44Å; S658-N662 PolarHBondContact O-N 2.69Å; S658-N662 PolarHBondContact O-ND2 3.27Å; S658-N662 PolarHBondContact O-OD1 3.17Å
659	G	90.1	Very high	92.3	Very high	10 Å²	10	28.5 Å²	28.5	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-55.6	-51.4	174.9	0	0	0	0	0	112.8	M655 I656 T657 N662 V663	M655-G659 PolarHBondContact O-N 2.69Å; I656-G659 WeakPolarHBondContact O-CA 3.33Å; I656-G659 PolarHBondContact O-N 2.76Å; T657-G659 VanDerWaalsContact C-N 3.35Å; T657-G659 PolarHBondContact O-N 3Å; G659-N662 PolarHBondContact O-N 3.09Å; G659-V663 PolarHBondContact O-N 3.29Å
660	F	89.9	Confident	92.3	Very high	11 Å²	11	28.1 Å²	28.1	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-47.3	178	-77.8	-72.1	0	0	0	112.9	M246 L250 I253 L364 I656 T657 S658 N662 V663 Y664	M246-F660 HydrophobicContact CB-CE2 4.3Å; M246-F660 HydrophobicContact CE-CZ 3.96Å; M246-F660 HydrophobicContact CG-CE2 3.75Å; M246-F660 HydrophobicContact CG-CZ 3.64Å; M246-F660 HydrophobicContact SD-CZ 4.34Å; L250-F660 HydrophobicContact CD2-CD1 4.03Å; L250-F660 HydrophobicContact CD2-CE1 3.61Å; L250-F660 HydrophobicContact CD2-CZ 4.34Å; L250-F660 HydrophobicContact CG-CE1 4.02Å; L250-F660 HydrophobicContact CG-CZ 4.29Å; I253-F660 HydrophobicContact CD1-CB 3.92Å; L364-F660 HydrophobicContact CB-CE1 4.43Å; L364-F660 HydrophobicContact CD2-CD1 4.2Å; L364-F660 WeakPolarHBondContact O-CE1 3.35Å; I656-F660 HydrophobicContact CG2-CD2 3.9Å; I656-F660 HydrophobicContact CG2-CE2 3.69Å; I656-F660 VanDerWaalsContact O-CD2 3.29Å; I656-F660 WeakPolarHBondContact O-CD2 3.07Å; I656-F660 PolarHBondContact O-N 3.03Å; I656-F660 VanDerWaalsContact O-N 3.15Å; T657-F660 PolarHBondContact O-N 2.04Å; S658-F660 PolarHBondContact O-N 3.31Å; F660-N662 VanDerWaalsContact C-N 3.27Å; F660-N662 PolarHBondContact O-N 3.34Å; F660-V663 WeakPolarHBondContact O-CB 3.17Å; F660-V663 PolarHBondContact O-N 3.13Å; F660-Y664 PolarHBondContact O-N 3.16Å
661	F	91.2	Very high	92.3	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-69	-26.1	-178.9	-82.9	-118.7	0	0	0	112.3	F252 L606 K610 I613 T657 S658 Y664 A665	F252-F661 HydrophobicContact CD1-CE1 4.05Å; F252-F661 HydrophobicContact CD1-CE2 4.09Å; F252-F661 AromaticContact CD1-CZ 3.35Å; F252-F661 HydrophobicContact CD1-CZ 3.35Å; F252-F661 AromaticContact CE1-CE1 3.7Å; F252-F661 HydrophobicContact CE1-CE1 3.7Å; F252-F661 AromaticContact CE1-CZ 3.46Å; F252-F661 HydrophobicContact CE1-CZ 3.46Å; F252-F661 VanDerWaalsContact CE1-CZ 3.46Å; F252-F661 HydrophobicContact CG-CZ 4.19Å; F252-F661 HydrophobicContact CZ-CZ 4.36Å; L606-F661 HydrophobicContact CB-CD1 3.94Å; L606-F661 HydrophobicContact CD2-CD1 3.64Å; L606-F661 HydrophobicContact CD2-CE1 4.12Å; L606-F661 HydrophobicContact CG-CD1 4.37Å; L606-F661 VanDerWaalsContact O-CD1 3.31Å; L606-F661 WeakPolarHBondContact O-CD1 3.29Å; L606-F661 WeakPolarHBondContact O-CE1 3.38Å; K610-F661 HydrophobicContact CD-CB 4.39Å; K610-F661 HydrophobicContact CG-CB 4.15Å; K610-F661 HydrophobicContact CG-CD1 4.02Å; K610-F661 HydrophobicContact CG-CD2 4.49Å; K610-F661 HydrophobicContact CG-CG 3.98Å; I613-F661 HydrophobicContact CD1-CE2 3.73Å; I613-F661 HydrophobicContact CD1-CZ 3.79Å; T657-F661 HydrophobicContact CG2-CD2 3.67Å; T657-F661 HydrophobicContact CG2-CE2 3.53Å; T657-F661 HydrophobicContact CG2-CZ 4.31Å; T657-F661 WeakPolarHBondContact O-CB 3.24Å; T657-F661 WeakPolarHBondContact O-CD2 3.42Å; T657-F661 PolarHBondContact O-N 3.46Å; S658-F661 PolarHBondContact O-N 3.13Å; F661-Y664 WeakPolarHBondContact O-CB 3.45Å; F661-Y664 PolarHBondContact O-N 3.25Å; F661-A665 WeakPolarHBondContact O-CB 3.11Å; F661-A665 PolarHBondContact O-N 3.24Å
662	N	90.9	Very high	92.1	Very high	77 Å²	77	22.4 Å²	22.4	41%	0.412	12%	0.123	S	C	.	.	H	α-helix	trans	-71.4	-32.9	174	-69.7	-12.2	0	0	0	112	K610 S658 G659 F660 Y664 A665 M666	K610-N662 PolarHBondContact NZ-OD1 3.33Å; S658-N662 VanDerWaalsContact O-CB 3.24Å; S658-N662 WeakPolarHBondContact O-CB 3.44Å; S658-N662 PolarHBondContact O-N 2.69Å; S658-N662 PolarHBondContact O-ND2 3.27Å; S658-N662 PolarHBondContact O-OD1 3.17Å; G659-N662 PolarHBondContact O-N 3.09Å; F660-N662 VanDerWaalsContact C-N 3.27Å; F660-N662 PolarHBondContact O-N 3.34Å; N662-Y664 VanDerWaalsContact C-N 3.28Å; N662-A665 PolarHBondContact O-N 3.3Å; N662-M666 WeakPolarHBondContact O-CB 3.33Å; N662-M666 WeakPolarHBondContact O-CG 3.45Å; N662-M666 PolarHBondContact O-N 3.2Å
663	V	93.3	Very high	92.1	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-44	169.4	176.8	0	0	0	0	110	P367 L472 F476 G659 F660 M666 C667	P367-V663 HydrophobicContact CG-CG2 3.39Å; L472-V663 HydrophobicContact CD1-CB 4.45Å; L472-V663 HydrophobicContact CD1-CG1 4.34Å; L472-V663 HydrophobicContact CD1-CG2 4.12Å; L472-V663 HydrophobicContact CD2-CG1 4.13Å; F476-V663 HydrophobicContact CE2-CG1 4.43Å; F476-V663 HydrophobicContact CZ-CG1 4.13Å; G659-V663 PolarHBondContact O-N 3.29Å; F660-V663 WeakPolarHBondContact O-CB 3.17Å; F660-V663 PolarHBondContact O-N 3.13Å; V663-M666 PolarHBondContact O-N 3.34Å; V663-C667 PolarHBondContact O-N 2.8Å
664	Y	91.6	Very high	91.9	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-44.7	176.6	-171.8	-80.1	0	0	0	112.4	I253 M350 I357 L606 F660 F661 N662 M666 C667 V668	I253-Y664 HydrophobicContact CG2-CD2 4.13Å; M350-Y664 VanDerWaalsContact C-OH 3.24Å; M350-Y664 WeakPolarHBondContact CA-OH 3.18Å; M350-Y664 WeakPolarHBondContact CB-OH 3.23Å; M350-Y664 HydrophobicContact CE-CE1 3.88Å; M350-Y664 HydrophobicContact CG-CE1 4.19Å; M350-Y664 WeakPolarHBondContact CG-OH 3.29Å; M350-Y664 PolarHBondContact O-OH 3.4Å; I357-Y664 HydrophobicContact CD1-CD2 3.3Å; I357-Y664 HydrophobicContact CD1-CE2 4.05Å; I357-Y664 HydrophobicContact CD1-CG 4Å; L606-Y664 HydrophobicContact CD1-CD1 3.93Å; L606-Y664 HydrophobicContact CD2-CD1 3.51Å; L606-Y664 HydrophobicContact CD2-CE1 3.81Å; L606-Y664 HydrophobicContact CD2-CG 4.32Å; L606-Y664 HydrophobicContact CG-CD1 4.33Å; F660-Y664 PolarHBondContact O-N 3.16Å; F661-Y664 WeakPolarHBondContact O-CB 3.45Å; F661-Y664 PolarHBondContact O-N 3.25Å; N662-Y664 VanDerWaalsContact C-N 3.28Å; Y664-M666 PolarHBondContact O-N 3.2Å; Y664-C667 VanDerWaalsContact O-CB 3.23Å; Y664-C667 WeakPolarHBondContact O-CB 3.48Å; Y664-C667 PolarHBondContact O-N 3.1Å; Y664-C667 VanDerWaalsContact O-N 3.13Å; Y664-V668 HydrophobicContact CD1-CG2 3.93Å; Y664-V668 HydrophobicContact CE1-CG2 3.54Å; Y664-V668 PolarHBondContact O-N 3.22Å
665	A	91.8	Very high	91.6	Very high	23 Å²	23	18.1 Å²	18.1	19%	0.19	10%	0.1	C	C	.	.	H	α-helix	trans	-57.5	-49.1	175.2	0	0	0	0	0	111	L606 F661 N662 C667 V668 D669	L606-A665 HydrophobicContact CD1-CB 3.83Å; F661-A665 WeakPolarHBondContact O-CB 3.11Å; F661-A665 PolarHBondContact O-N 3.24Å; N662-A665 PolarHBondContact O-N 3.3Å; A665-C667 VanDerWaalsContact C-N 3.25Å; A665-C667 PolarHBondContact O-N 3.17Å; A665-V668 PolarHBondContact O-N 3.21Å; A665-V668 VanDerWaalsContact O-N 3.08Å; A665-D669 VanDerWaalsContact O-CG 3.27Å; A665-D669 PolarHBondContact O-N 3.34Å
666	M	94.1	Very high	91.3	Very high	14 Å²	14	13.2 Å²	13.2	7%	0.069	8%	0.076	C	C	.	.	H	α-helix	trans	-59.8	-34.3	175.8	-75.3	-55.8	-49	0	0	113.1	K469 L472 T564 I568 N662 V663 Y664 T670	K469-M666 HydrophobicContact CB-CE 3.78Å; K469-M666 HydrophobicContact CB-SD 4.1Å; K469-M666 HydrophobicContact CD-SD 4.09Å; K469-M666 HydrophobicContact CG-CE 4.06Å; K469-M666 HydrophobicContact CG-CG 4.4Å; K469-M666 HydrophobicContact CG-SD 3.66Å; L472-M666 HydrophobicContact CB-CB 4.41Å; L472-M666 HydrophobicContact CD1-CB 4.31Å; L472-M666 HydrophobicContact CD1-CG 4.44Å; T564-M666 HydrophobicContact CG2-CE 4.25Å; T564-M666 HydrophobicContact CG2-SD 3.93Å; I568-M666 HydrophobicContact CD1-CE 4.41Å; I568-M666 HydrophobicContact CG1-CE 4.22Å; N662-M666 WeakPolarHBondContact O-CB 3.33Å; N662-M666 WeakPolarHBondContact O-CG 3.45Å; N662-M666 PolarHBondContact O-N 3.2Å; V663-M666 PolarHBondContact O-N 3.34Å; Y664-M666 PolarHBondContact O-N 3.2Å; M666-T670 VanDerWaalsContact O-CB 3.27Å; M666-T670 WeakPolarHBondContact O-CB 3.3Å; M666-T670 PolarHBondContact O-N 2.98Å; M666-T670 PolarHBondContact O-OG1 3.5Å
667	C	94.3	Very high	91.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61	-53	172.6	-173.9	0	0	0	0	110.9	I357 F476 V663 Y664 A665 D669 T670 L671	I357-C667 HydrophobicContact CD1-CB 4.16Å; I357-C667 HydrophobicContact CG1-CB 4.22Å; F476-C667 HydrophobicContact CD1-CB 4.13Å; F476-C667 WeakPolarHBondContact CD1-SG 3.31Å; F476-C667 VanDerWaalsContact CD2-CA 3.42Å; F476-C667 HydrophobicContact CD2-CB 3.77Å; F476-C667 HydrophobicContact CE1-CB 3.88Å; F476-C667 VanDerWaalsContact CE1-SG 3.54Å; F476-C667 HydrophobicContact CE2-CB 3.48Å; F476-C667 VanDerWaalsContact CE2-CB 3.48Å; F476-C667 HydrophobicContact CG-CB 4.08Å; F476-C667 HydrophobicContact CZ-CB 3.55Å; V663-C667 PolarHBondContact O-N 2.8Å; Y664-C667 VanDerWaalsContact O-CB 3.23Å; Y664-C667 WeakPolarHBondContact O-CB 3.48Å; Y664-C667 PolarHBondContact O-N 3.1Å; Y664-C667 VanDerWaalsContact O-N 3.13Å; A665-C667 VanDerWaalsContact C-N 3.25Å; A665-C667 PolarHBondContact O-N 3.17Å; C667-D669 PolarHBondContact O-N 3.21Å; C667-T670 PolarHBondContact O-N 2.84Å; C667-L671 VanDerWaalsContact O-CG 3.26Å; C667-L671 WeakPolarHBondContact O-CG 3.13Å; C667-L671 PolarHBondContact O-N 3.04Å
668	V	91.2	Very high	90.9	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-62.7	-44.4	-178.1	178.6	0	0	0	0	111.3	L349 I602 Y664 A665 T670 L671 F672	L349-V668 HydrophobicContact CB-CG1 4.48Å; I602-V668 HydrophobicContact CD1-CG1 3.41Å; I602-V668 VanDerWaalsContact CD1-CG1 3.41Å; I602-V668 HydrophobicContact CG1-CG1 4.25Å; I602-V668 HydrophobicContact CG2-CB 4.47Å; I602-V668 HydrophobicContact CG2-CG1 4.13Å; Y664-V668 HydrophobicContact CD1-CG2 3.93Å; Y664-V668 HydrophobicContact CE1-CG2 3.54Å; Y664-V668 PolarHBondContact O-N 3.22Å; A665-V668 PolarHBondContact O-N 3.21Å; A665-V668 VanDerWaalsContact O-N 3.08Å; V668-T670 VanDerWaalsContact C-N 3.32Å; V668-T670 PolarHBondContact O-N 3.38Å; V668-L671 PolarHBondContact O-N 2.7Å; V668-F672 WeakPolarHBondContact O-CB 3.03Å; V668-F672 PolarHBondContact O-N 2.67Å
669	D	91.9	Very high	90.5	Very high	37 Å²	37	12.9 Å²	12.9	20%	0.198	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-43.9	177	-64.6	-16.4	0	0	0	111.4	I568 A665 C667 F672 L673	I568-D669 HydrophobicContact CD1-CB 3.94Å; A665-D669 VanDerWaalsContact O-CG 3.27Å; A665-D669 PolarHBondContact O-N 3.34Å; C667-D669 PolarHBondContact O-N 3.21Å; D669-F672 PolarHBondContact O-N 3.44Å; D669-L673 WeakPolarHBondContact O-CB 3.27Å; D669-L673 PolarHBondContact O-N 3.12Å
670	T	94.8	Very high	90.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-46.5	179.1	-58.3	0	0	0	0	111.7	A473 F476 A477 I568 M666 C667 V668 F672 L673 C674	A473-T670 WeakPolarHBondContact CA-OG1 3.39Å; A473-T670 HydrophobicContact CB-CG2 4.31Å; A473-T670 WeakPolarHBondContact O-CG2 3.43Å; F476-T670 HydrophobicContact CB-CG2 3.85Å; A477-T670 HydrophobicContact CB-CG2 4.18Å; I568-T670 HydrophobicContact CG2-CG2 4.12Å; M666-T670 VanDerWaalsContact O-CB 3.27Å; M666-T670 WeakPolarHBondContact O-CB 3.3Å; M666-T670 PolarHBondContact O-N 2.98Å; M666-T670 PolarHBondContact O-OG1 3.5Å; C667-T670 PolarHBondContact O-N 2.84Å; V668-T670 VanDerWaalsContact C-N 3.32Å; V668-T670 PolarHBondContact O-N 3.38Å; T670-F672 VanDerWaalsContact C-N 3.29Å; T670-F672 PolarHBondContact O-N 3.5Å; T670-L673 PolarHBondContact O-N 3.47Å; T670-C674 WeakPolarHBondContact O-CB 3.44Å; T670-C674 PolarHBondContact O-N 3.37Å; T670-C674 PolarHBondContact O-SG 3.43Å
671	L	92.1	Very high	89.8	Confident	8 Å²	8	15.6 Å²	15.6	4%	0.042	8%	0.084	C	C	.	.	H	α-helix	trans	-63.9	-39.2	178.3	-66.8	178.5	0	0	0	111	A356 Y479 Y480 C667 V668 F675	A356-L671 HydrophobicContact CB-CD1 4.23Å; Y479-L671 HydrophobicContact CD1-CD2 3.99Å; Y479-L671 HydrophobicContact CE1-CD2 4.32Å; Y480-L671 HydrophobicContact CD2-CD2 3.79Å; Y480-L671 HydrophobicContact CG-CD2 4.37Å; C667-L671 VanDerWaalsContact O-CG 3.26Å; C667-L671 WeakPolarHBondContact O-CG 3.13Å; C667-L671 PolarHBondContact O-N 3.04Å; V668-L671 PolarHBondContact O-N 2.7Å; L671-F675 WeakPolarHBondContact O-CB 3.07Å; L671-F675 PolarHBondContact O-N 3.01Å
672	F	89.1	Confident	89.5	Confident	21 Å²	21	16 Å²	16	9%	0.092	9%	0.086	C	C	.	.	H	α-helix	trans	-65.9	-44.6	177.6	179.1	-113.2	0	0	0	111.7	L349 L588 V595 L598 V668 D669 T670 F675 L676	L349-F672 HydrophobicContact CD1-CD2 4.16Å; L588-F672 HydrophobicContact CD2-CE1 4.48Å; V595-F672 HydrophobicContact CB-CE1 4.16Å; V595-F672 HydrophobicContact CB-CZ 4.33Å; V595-F672 HydrophobicContact CG1-CE1 4.22Å; V595-F672 HydrophobicContact CG2-CE1 3.75Å; V595-F672 HydrophobicContact CG2-CZ 3.84Å; L598-F672 HydrophobicContact CD1-CD2 4.28Å; L598-F672 HydrophobicContact CD1-CE2 3.61Å; L598-F672 HydrophobicContact CD1-CZ 4.19Å; V668-F672 WeakPolarHBondContact O-CB 3.03Å; V668-F672 PolarHBondContact O-N 2.67Å; D669-F672 PolarHBondContact O-N 3.44Å; T670-F672 VanDerWaalsContact C-N 3.29Å; T670-F672 PolarHBondContact O-N 3.5Å; F672-F675 HydrophobicContact CD2-CD1 4.33Å; F672-F675 HydrophobicContact CE2-CD1 4.49Å; F672-F675 WeakPolarHBondContact O-CB 3.18Å; F672-F675 PolarHBondContact O-N 3Å; F672-L676 HydrophobicContact CD1-CD1 4.36Å; F672-L676 HydrophobicContact CE1-CD1 3.79Å; F672-L676 HydrophobicContact CE1-CG 4.45Å; F672-L676 HydrophobicContact CE2-CD2 4.39Å; F672-L676 HydrophobicContact CE2-CG 4.39Å; F672-L676 HydrophobicContact CZ-CD1 3.87Å; F672-L676 HydrophobicContact CZ-CD2 4.32Å; F672-L676 HydrophobicContact CZ-CG 4.22Å; F672-L676 WeakPolarHBondContact O-CG 3.34Å; F672-L676 PolarHBondContact O-N 3.09Å
673	L	90.7	Very high	89	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-66.8	-42.3	176.4	-161.1	70.8	0	0	0	111.8	I568 M569 L587 L588 D669 T670 F675 L676 C677	I568-L673 HydrophobicContact CB-CD2 3.72Å; I568-L673 HydrophobicContact CD1-CD2 4.42Å; I568-L673 HydrophobicContact CG2-CB 4.16Å; I568-L673 HydrophobicContact CG2-CD2 3.49Å; I568-L673 VanDerWaalsContact CG2-CD2 3.49Å; I568-L673 HydrophobicContact CG2-CG 4.41Å; M569-L673 HydrophobicContact CG-CD2 3.87Å; M569-L673 HydrophobicContact SD-CD2 3.82Å; M569-L673 HydrophobicContact SD-CG 4.41Å; L587-L673 HydrophobicContact CD2-CD1 3.88Å; L587-L673 HydrophobicContact CD2-CG 4.29Å; L588-L673 HydrophobicContact CD1-CD1 4.45Å; L588-L673 HydrophobicContact CD2-CD1 3.8Å; L588-L673 HydrophobicContact CG-CD1 4.08Å; D669-L673 WeakPolarHBondContact O-CB 3.27Å; D669-L673 PolarHBondContact O-N 3.12Å; T670-L673 PolarHBondContact O-N 3.47Å; L673-F675 PolarHBondContact O-N 3.38Å; L673-L676 PolarHBondContact O-N 2.91Å; L673-L676 VanDerWaalsContact O-N 3.17Å; L673-C677 PolarHBondContact O-N 2.86Å; L673-C677 PolarHBondContact O-SG 2.95Å; L673-C677 VanDerWaalsContact O-SG 3.41Å
674	C	91.4	Very high	88.2	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-37.8	173.5	-68.1	0	0	0	0	111.6	Y480 W481 T670 C677 D678	Y480-C674 HydrophobicContact CD1-CB 3.48Å; Y480-C674 VanDerWaalsContact CD1-CB 3.48Å; Y480-C674 HydrophobicContact CD2-CB 3.81Å; Y480-C674 HydrophobicContact CE1-CB 3.84Å; Y480-C674 HydrophobicContact CE2-CB 4.12Å; Y480-C674 HydrophobicContact CG-CB 3.5Å; Y480-C674 VanDerWaalsContact CG-CB 3.5Å; W481-C674 HydrophobicContact CZ2-CB 4.4Å; T670-C674 WeakPolarHBondContact O-CB 3.44Å; T670-C674 PolarHBondContact O-N 3.37Å; T670-C674 PolarHBondContact O-SG 3.43Å; C674-C677 WeakPolarHBondContact O-CB 3.22Å; C674-C677 PolarHBondContact O-N 3.45Å; C674-D678 WeakPolarHBondContact O-CB 3.28Å; C674-D678 PolarHBondContact O-N 3.22Å
675	F	87.8	Confident	87.6	Confident	2 Å²	2	20.2 Å²	20.2	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-43.6	174.5	164.6	-100.3	0	0	0	112.5	Y480 L671 F672 L673 C677 D678 L679 M692 L696 F700	Y480-F675 HydrophobicContact CE2-CB 4.21Å; Y480-F675 WeakPolarHBondContact OH-CA 3.43Å; L671-F675 WeakPolarHBondContact O-CB 3.07Å; L671-F675 PolarHBondContact O-N 3.01Å; F672-F675 HydrophobicContact CD2-CD1 4.33Å; F672-F675 HydrophobicContact CE2-CD1 4.49Å; F672-F675 WeakPolarHBondContact O-CB 3.18Å; F672-F675 PolarHBondContact O-N 3Å; L673-F675 PolarHBondContact O-N 3.38Å; F675-C677 VanDerWaalsContact C-N 3.35Å; F675-D678 PolarHBondContact O-N 3.01Å; F675-L679 HydrophobicContact CD1-CD1 4.27Å; F675-L679 HydrophobicContact CD2-CG 4.34Å; F675-L679 HydrophobicContact CE1-CD1 3.55Å; F675-L679 HydrophobicContact CE1-CG 4.23Å; F675-L679 HydrophobicContact CE2-CD1 3.98Å; F675-L679 HydrophobicContact CE2-CD2 4.04Å; F675-L679 HydrophobicContact CE2-CG 3.9Å; F675-L679 HydrophobicContact CZ-CD1 3.39Å; F675-L679 HydrophobicContact CZ-CD2 4.2Å; F675-L679 HydrophobicContact CZ-CG 3.86Å; F675-L679 WeakPolarHBondContact O-CG 3.39Å; F675-L679 PolarHBondContact O-N 2.99Å; F675-M692 HydrophobicContact CD2-CE 4.31Å; F675-M692 HydrophobicContact CD2-SD 4.03Å; F675-M692 HydrophobicContact CE2-CE 3.93Å; F675-M692 HydrophobicContact CE2-SD 3.63Å; F675-L696 HydrophobicContact CD2-CD2 4.25Å; F675-F700 HydrophobicContact CE1-CD1 4.39Å; F675-F700 HydrophobicContact CE1-CD2 4.38Å; F675-F700 HydrophobicContact CE1-CE1 4.04Å; F675-F700 HydrophobicContact CE1-CE2 4.04Å; F675-F700 AromaticContact CE1-CZ 3.83Å; F675-F700 HydrophobicContact CE1-CZ 3.83Å; F675-F700 AromaticContact CE2-CD2 3.91Å; F675-F700 HydrophobicContact CE2-CD2 3.91Å; F675-F700 HydrophobicContact CE2-CE2 4.09Å; F675-F700 HydrophobicContact CE2-CG 4.39Å; F675-F700 HydrophobicContact CZ-CB 4.35Å; F675-F700 AromaticContact CZ-CD1 3.95Å; F675-F700 HydrophobicContact CZ-CD1 3.95Å; F675-F700 AromaticContact CZ-CD2 3.54Å; F675-F700 HydrophobicContact CZ-CD2 3.54Å; F675-F700 HydrophobicContact CZ-CE1 4Å; F675-F700 AromaticContact CZ-CE2 3.62Å; F675-F700 HydrophobicContact CZ-CE2 3.62Å; F675-F700 AromaticContact CZ-CG 3.7Å; F675-F700 HydrophobicContact CZ-CG 3.7Å; F675-F700 AromaticContact CZ-CZ 3.83Å; F675-F700 HydrophobicContact CZ-CZ 3.83Å
676	L	86	Confident	86.9	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-41.9	174.7	-66.7	180	0	0	0	111.7	L587 L588 N591 V595 F672 L673 D678 L679 E680	L587-L676 HydrophobicContact CD1-CB 4.08Å; L587-L676 HydrophobicContact CD2-CB 4.01Å; L587-L676 HydrophobicContact CG-CB 4.03Å; L588-L676 HydrophobicContact CD2-CD1 3.86Å; N591-L676 HydrophobicContact CB-CD1 4.36Å; N591-L676 HydrophobicContact CB-CD2 4.02Å; V595-L676 HydrophobicContact CG2-CD1 4.1Å; F672-L676 HydrophobicContact CD1-CD1 4.36Å; F672-L676 HydrophobicContact CE1-CD1 3.79Å; F672-L676 HydrophobicContact CE1-CG 4.45Å; F672-L676 HydrophobicContact CE2-CD2 4.39Å; F672-L676 HydrophobicContact CE2-CG 4.39Å; F672-L676 HydrophobicContact CZ-CD1 3.87Å; F672-L676 HydrophobicContact CZ-CD2 4.32Å; F672-L676 HydrophobicContact CZ-CG 4.22Å; F672-L676 WeakPolarHBondContact O-CG 3.34Å; F672-L676 PolarHBondContact O-N 3.09Å; L673-L676 PolarHBondContact O-N 2.91Å; L673-L676 VanDerWaalsContact O-N 3.17Å; L676-D678 VanDerWaalsContact C-N 3.34Å; L676-D678 PolarHBondContact O-N 2.93Å; L676-L679 PolarHBondContact O-N 3.35Å; L676-E680 PolarHBondContact O-N 3.3Å; L676-E680 VanDerWaalsContact O-N 3.14Å
677	C	87.3	Confident	86.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-44.4	172.3	-68.7	0	0	0	0	111.9	I18 W481 L587 L673 C674 F675 E680 V681	I18-C677 HydrophobicContact CD1-CB 4.41Å; W481-C677 HydrophobicContact CH2-CB 4.5Å; W481-C677 HydrophobicContact CZ2-CB 4.11Å; L587-C677 WeakPolarHBondContact CD2-SG 3.45Å; L673-C677 PolarHBondContact O-N 2.86Å; L673-C677 PolarHBondContact O-SG 2.95Å; L673-C677 VanDerWaalsContact O-SG 3.41Å; C674-C677 WeakPolarHBondContact O-CB 3.22Å; C674-C677 PolarHBondContact O-N 3.45Å; F675-C677 VanDerWaalsContact C-N 3.35Å; C677-E680 PolarHBondContact O-N 3.44Å; C677-V681 WeakPolarHBondContact O-CB 3.47Å; C677-V681 VanDerWaalsContact O-CG2 3.3Å; C677-V681 WeakPolarHBondContact O-CG2 3.45Å; C677-V681 PolarHBondContact O-N 3.15Å
678	D	87.8	Confident	85.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-40	179.5	-166.7	18.8	0	0	0	111.6	Y480 W481 C674 F675 L676 E680 N682 H691 M692	Y480-D678 HydrophobicContact CE1-CB 4.04Å; Y480-D678 WeakPolarHBondContact OH-CB 3.49Å; Y480-D678 PolarHBondContact OH-OD2 3.34Å; W481-D678 HydrophobicContact CH2-CB 3.89Å; W481-D678 HydrophobicContact CZ3-CB 4.38Å; C674-D678 WeakPolarHBondContact O-CB 3.28Å; C674-D678 PolarHBondContact O-N 3.22Å; F675-D678 PolarHBondContact O-N 3.01Å; L676-D678 VanDerWaalsContact C-N 3.34Å; L676-D678 PolarHBondContact O-N 2.93Å; D678-E680 VanDerWaalsContact C-N 3.34Å; D678-E680 PolarHBondContact O-N 2.78Å; D678-N682 WeakPolarHBondContact O-CA 3.3Å; D678-N682 VanDerWaalsContact O-CB 3.32Å; D678-N682 WeakPolarHBondContact O-CB 3.26Å; D678-N682 PolarHBondContact O-N 3.19Å; D678-N682 PolarHBondContact OD1-ND2 2.86Å; D678-H691 PolarHBondContact OD2-N 3.15Å; D678-M692 PolarHBondContact OD2-N 2.98Å
679	L	82.6	Confident	85.1	Confident	53 Å²	53	35.2 Å²	35.2	28%	0.277	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-35	174.9	-74.1	-174.5	0	0	0	113.7	F675 L676 Y690 M692	F675-L679 HydrophobicContact CD1-CD1 4.27Å; F675-L679 HydrophobicContact CD2-CG 4.34Å; F675-L679 HydrophobicContact CE1-CD1 3.55Å; F675-L679 HydrophobicContact CE1-CG 4.23Å; F675-L679 HydrophobicContact CE2-CD1 3.98Å; F675-L679 HydrophobicContact CE2-CD2 4.04Å; F675-L679 HydrophobicContact CE2-CG 3.9Å; F675-L679 HydrophobicContact CZ-CD1 3.39Å; F675-L679 HydrophobicContact CZ-CD2 4.2Å; F675-L679 HydrophobicContact CZ-CG 3.86Å; F675-L679 WeakPolarHBondContact O-CG 3.39Å; F675-L679 PolarHBondContact O-N 2.99Å; L676-L679 PolarHBondContact O-N 3.35Å; L679-Y690 HydrophobicContact CD2-CE1 4.09Å; L679-M692 HydrophobicContact CD2-CE 3.74Å
680	E	82.9	Confident	84.7	Confident	56 Å²	56	36.4 Å²	36.4	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-77.4	-37.2	-179.5	-174.2	164.1	-118.6	0	0	111.9	P17 I18 R590 L676 C677 D678	P17-E680 HydrophobicContact CB-CG 4.08Å; I18-E680 WeakPolarHBondContact CD1-OE2 3.41Å; I18-E680 VanDerWaalsContact CG1-OE2 3.26Å; I18-E680 WeakPolarHBondContact CG1-OE2 3.34Å; I18-E680 PolarHBondContact N-OE2 3.01Å; I18-E680 VanDerWaalsContact N-OE2 3.16Å; R590-E680 IonicContact CZ-OE1 2.84Å; R590-E680 IonicContact NH1-OE1 3.85Å; R590-E680 PolarHBondContact NH1-OE1 3.01Å; R590-E680 IonicContact NH1-OE2 2.76Å; L676-E680 PolarHBondContact O-N 3.3Å; L676-E680 VanDerWaalsContact O-N 3.14Å; C677-E680 PolarHBondContact O-N 3.44Å; D678-E680 VanDerWaalsContact C-N 3.34Å; D678-E680 PolarHBondContact O-N 2.78Å
681	V	83.9	Confident	84	Confident	22 Å²	22	38 Å²	38	13%	0.133	22%	0.222	C	C	.	.	H	α-helix	trans	-90.5	-37.2	-172.1	172.4	0	0	0	0	112.7	I18 F20 C677	I18-V681 HydrophobicContact CB-CG2 3.76Å; I18-V681 HydrophobicContact CG2-CG2 3.51Å; F20-V681 HydrophobicContact CB-CG1 4Å; F20-V681 HydrophobicContact CD2-CG1 3.54Å; F20-V681 HydrophobicContact CE2-CG1 4.48Å; F20-V681 HydrophobicContact CG-CG1 4.21Å; C677-V681 WeakPolarHBondContact O-CB 3.47Å; C677-V681 VanDerWaalsContact O-CG2 3.3Å; C677-V681 WeakPolarHBondContact O-CG2 3.45Å; C677-V681 PolarHBondContact O-N 3.15Å
682	N	84.1	Confident	83.4	Confident	11 Å²	11	38.6 Å²	38.6	6%	0.059	23%	0.225	C	C	.	.			trans	-107.4	145	-175.4	-65.2	-50.9	0	0	0	111.5	F20 D678 K688 Y690	F20-N682 WeakPolarHBondContact CE2-OD1 3.32Å; D678-N682 WeakPolarHBondContact O-CA 3.3Å; D678-N682 VanDerWaalsContact O-CB 3.32Å; D678-N682 WeakPolarHBondContact O-CB 3.26Å; D678-N682 PolarHBondContact O-N 3.19Å; D678-N682 PolarHBondContact OD1-ND2 2.86Å; N682-K688 HydrophobicContact CB-CB 4.48Å; N682-Y690 HydrophobicContact CB-CD1 3.82Å; N682-Y690 HydrophobicContact CB-CE1 3.96Å; N682-Y690 WeakPolarHBondContact O-CE1 3.35Å; N682-Y690 PolarHBondContact O-OH 3.14Å; N682-Y690 VanDerWaalsContact O-OH 3.07Å
683	N	80.1	Confident	82.8	Confident	102 Å²	102	39.1 Å²	39.1	55%	0.545	23%	0.23	S	C	.	.			trans	-117.1	4.7	-177.5	68.1	0.6	0	0	0	113.3	S685 K688	N683-S685 VanDerWaalsContact C-N 3.28Å; N683-S685 PolarHBondContact O-N 3.26Å; N683-S685 VanDerWaalsContact OD1-CB 3.24Å; N683-S685 WeakPolarHBondContact OD1-CB 3.38Å; N683-S685 PolarHBondContact OD1-N 2.58Å; N683-S685 VanDerWaalsContact OD1-N 3.1Å; N683-S685 PolarHBondContact OD1-OG 2.71Å; N683-K688 PolarHBondContact N-O 3.16Å; N683-K688 WeakPolarHBondContact OD1-CB 3.45Å
684	G	76.1	Confident	82	Confident	40 Å²	40	43.3 Å²	43.3	41%	0.412	26%	0.257	S	S	.	.	S	Bend	trans	79.6	2.9	179.4	0	0	0	0	0	115	K688	G684-K688 WeakPolarHBondContact CA-O 3.04Å; G684-K688 PolarHBondContact N-O 2.75Å
685	S	78.9	Confident	81	Confident	30 Å²	30	47.9 Å²	47.9	21%	0.21	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-69.6	160.8	172.6	65.7	0	0	0	0	111.6	N683 S687 K688 P689	N683-S685 VanDerWaalsContact C-N 3.28Å; N683-S685 PolarHBondContact O-N 3.26Å; N683-S685 VanDerWaalsContact OD1-CB 3.24Å; N683-S685 WeakPolarHBondContact OD1-CB 3.38Å; N683-S685 PolarHBondContact OD1-N 2.58Å; N683-S685 VanDerWaalsContact OD1-N 3.1Å; N683-S685 PolarHBondContact OD1-OG 2.71Å; S685-S687 PolarHBondContact O-N 3.34Å; S685-S687 VanDerWaalsContact O-N 3.12Å; S685-S687 PolarHBondContact OG-OG 3.28Å; S685-K688 CarbonylContact O-C 3.5Å; S685-K688 PolarHBondContact O-N 3.23Å; S685-K688 PolarHBondContact OG-N 3.04Å; S685-P689 WeakPolarHBondContact O-CA 3.21Å
686	P	77.9	Confident	80.2	Confident	135 Å²	135	48.1 Å²	48.1	88%	0.877	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.8	176.5	-25.5	34.7	0	0	0	113.9
687	S	77.1	Confident	79.6	Confident	94 Å²	94	50.8 Å²	50.8	66%	0.657	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-22.8	176.1	55.5	0	0	0	0	113.6	S685	S685-S687 PolarHBondContact O-N 3.34Å; S685-S687 VanDerWaalsContact O-N 3.12Å; S685-S687 PolarHBondContact OG-OG 3.28Å
688	K	81.2	Confident	78.7	Confident	65 Å²	65	57.6 Å²	57.6	28%	0.283	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-135.8	65.4	177.5	-54.3	-171.9	176.3	-174.3	0	111.8	F20 N682 N683 G684 S685	F20-K688 HydrophobicContact CD1-CD 4.34Å; F20-K688 HydrophobicContact CD2-CD 3.73Å; F20-K688 HydrophobicContact CD2-CG 4Å; F20-K688 HydrophobicContact CE1-CD 4.45Å; F20-K688 HydrophobicContact CE1-CG 4.22Å; F20-K688 HydrophobicContact CE2-CB 4.08Å; F20-K688 HydrophobicContact CE2-CD 3.92Å; F20-K688 HydrophobicContact CE2-CG 3.62Å; F20-K688 HydrophobicContact CG-CD 3.99Å; F20-K688 HydrophobicContact CG-CG 4.5Å; F20-K688 HydrophobicContact CZ-CD 4.27Å; F20-K688 HydrophobicContact CZ-CG 3.74Å; N682-K688 HydrophobicContact CB-CB 4.48Å; N683-K688 PolarHBondContact N-O 3.16Å; N683-K688 WeakPolarHBondContact OD1-CB 3.45Å; G684-K688 WeakPolarHBondContact CA-O 3.04Å; G684-K688 PolarHBondContact N-O 2.75Å; S685-K688 CarbonylContact O-C 3.5Å; S685-K688 PolarHBondContact O-N 3.23Å; S685-K688 PolarHBondContact OG-N 3.04Å
689	P	82.6	Confident	77.9	Confident	59 Å²	59	60 Å²	60	38%	0.383	34%	0.338	S	S	.	.			trans	-71.9	148.3	-178.2	30.4	-35.3	0	0	0	110.9	S685	S685-P689 WeakPolarHBondContact O-CA 3.21Å
690	Y	83.3	Confident	77	Confident	62 Å²	62	58 Å²	58	24%	0.243	33%	0.327	C	S	.	.			trans	-68.6	144.6	172	-67.9	-64	0	0	0	111.6	L679 N682 M692 M697	L679-Y690 HydrophobicContact CD2-CE1 4.09Å; N682-Y690 HydrophobicContact CB-CD1 3.82Å; N682-Y690 HydrophobicContact CB-CE1 3.96Å; N682-Y690 WeakPolarHBondContact O-CE1 3.35Å; N682-Y690 PolarHBondContact O-OH 3.14Å; N682-Y690 VanDerWaalsContact O-OH 3.07Å; Y690-M692 HydrophobicContact CD1-CE 3.44Å; Y690-M692 VanDerWaalsContact CD1-CE 3.44Å; Y690-M692 HydrophobicContact CD2-CE 4Å; Y690-M692 HydrophobicContact CE1-CE 3.97Å; Y690-M692 HydrophobicContact CE2-CE 4.46Å; Y690-M692 HydrophobicContact CG-CE 3.46Å; Y690-M692 VanDerWaalsContact CG-CE 3.46Å; Y690-M697 HydrophobicContact CD2-SD 4.3Å
691	H	81.9	Confident	76.2	Confident	34 Å²	34	59.9 Å²	59.9	16%	0.157	34%	0.336	C	S	.	.			trans	-89.5	-13.5	175.8	-77.3	-105.1	0	0	0	113	Y480 W481 D678	Y480-H691 HydrophobicContact CE1-CB 4.1Å; W481-H691 HydrophobicContact CE3-CB 4.26Å; W481-H691 AromaticContact CE3-CD2 3.94Å; W481-H691 AromaticContact CE3-CG 3.87Å; W481-H691 HydrophobicContact CZ3-CB 4.44Å; W481-H691 AromaticContact CZ3-CD2 3.88Å; W481-H691 PolarHBondContact O-ND1 3.24Å; D678-H691 PolarHBondContact OD2-N 3.15Å
692	M	79.4	Confident	74.9	Confident	20 Å²	20	66.4 Å²	66.4	10%	0.099	36%	0.363	C	S	.	.	S	Bend	trans	-67.3	160.4	177.9	77.5	179.8	103.6	0	0	113.9	F675 D678 L679 Y690 L696 M697	F675-M692 HydrophobicContact CD2-CE 4.31Å; F675-M692 HydrophobicContact CD2-SD 4.03Å; F675-M692 HydrophobicContact CE2-CE 3.93Å; F675-M692 HydrophobicContact CE2-SD 3.63Å; D678-M692 PolarHBondContact OD2-N 2.98Å; L679-M692 HydrophobicContact CD2-CE 3.74Å; Y690-M692 HydrophobicContact CD1-CE 3.44Å; Y690-M692 VanDerWaalsContact CD1-CE 3.44Å; Y690-M692 HydrophobicContact CD2-CE 4Å; Y690-M692 HydrophobicContact CE1-CE 3.97Å; Y690-M692 HydrophobicContact CE2-CE 4.46Å; Y690-M692 HydrophobicContact CG-CE 3.46Å; Y690-M692 VanDerWaalsContact CG-CE 3.46Å; M692-L696 HydrophobicContact CB-CD2 4.28Å; M692-M697 HydrophobicContact CG-CB 4.04Å; M692-M697 HydrophobicContact SD-CB 3.72Å; M692-M697 HydrophobicContact SD-CG 4.31Å
693	T	74.9	Confident	73.6	Confident	32 Å²	32	68.4 Å²	68.4	20%	0.196	37%	0.369	C	S	.	.			trans	-72.3	149.4	176.9	59.1	0	0	0	0	112.2	E352 N695 L696 M697	E352-T693 WeakPolarHBondContact OE1-CG2 3.4Å; E352-T693 PolarHBondContact OE1-OG1 3.45Å; T693-N695 PolarHBondContact O-N 3.3Å; T693-L696 WeakPolarHBondContact O-CB 3.28Å; T693-L696 PolarHBondContact O-N 2.89Å; T693-M697 PolarHBondContact O-N 2.88Å
694	P	73.8	Confident	72.5	Confident	89 Å²	89	66.3 Å²	66.3	58%	0.578	36%	0.36	S	S	*	.	H	α-helix	trans	-58.7	-32.5	-179.4	-25.6	33.7	0	0	0	113.8	K698	P694-K698 WeakPolarHBondContact O-CB 3.44Å; P694-K698 VanDerWaalsContact O-CG 3.31Å; P694-K698 WeakPolarHBondContact O-CG 3.48Å; P694-K698 PolarHBondContact O-N 3.3Å
695	N	70.4	Confident	71.1	Confident	96 Å²	96	69.3 Å²	69.3	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-43.8	176	-78.7	-11	0	0	0	111.7	T693 K698 I699	T693-N695 PolarHBondContact O-N 3.3Å; N695-K698 PolarHBondContact O-N 3.2Å; N695-I699 WeakPolarHBondContact O-CD1 3.23Å; N695-I699 VanDerWaalsContact O-CG1 3.27Å; N695-I699 WeakPolarHBondContact O-CG1 3.43Å; N695-I699 PolarHBondContact O-N 3.34Å
696	L	72.1	Confident	69.7	Low	8 Å²	8	70.7 Å²	70.7	4%	0.042	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-47.9	176.9	-161.1	67.9	0	0	0	109.8	A348 L349 F675 M692 T693 K698 I699 F700	A348-L696 HydrophobicContact CB-CD1 3.73Å; L349-L696 HydrophobicContact CD2-CD1 4.2Å; L349-L696 HydrophobicContact CD2-CD2 4.3Å; L349-L696 HydrophobicContact CG-CD1 4.33Å; F675-L696 HydrophobicContact CD2-CD2 4.25Å; M692-L696 HydrophobicContact CB-CD2 4.28Å; T693-L696 WeakPolarHBondContact O-CB 3.28Å; T693-L696 PolarHBondContact O-N 2.89Å; L696-K698 PolarHBondContact O-N 3.04Å; L696-I699 PolarHBondContact O-N 2.97Å; L696-F700 HydrophobicContact CD1-CD2 4.15Å; L696-F700 HydrophobicContact CD1-CE2 3.61Å; L696-F700 HydrophobicContact CD2-CE2 4.42Å; L696-F700 HydrophobicContact CG-CD2 3.89Å; L696-F700 HydrophobicContact CG-CE2 3.71Å; L696-F700 WeakPolarHBondContact O-CD2 3.36Å; L696-F700 PolarHBondContact O-N 3.18Å; L696-F700 VanDerWaalsContact O-N 3.12Å
697	M	72.8	Confident	68.4	Low	59 Å²	59	67.2 Å²	67.2	29%	0.291	35%	0.345	S	S	.	.	H	α-helix	trans	-54.7	-48.5	176.7	-176.5	-178.9	157.7	0	0	112.6	Y690 M692 T693 I699 F700 Q701	Y690-M697 HydrophobicContact CD2-SD 4.3Å; M692-M697 HydrophobicContact CG-CB 4.04Å; M692-M697 HydrophobicContact SD-CB 3.72Å; M692-M697 HydrophobicContact SD-CG 4.31Å; T693-M697 PolarHBondContact O-N 2.88Å; M697-I699 PolarHBondContact O-N 2.94Å; M697-F700 PolarHBondContact O-N 3.35Å; M697-Q701 HydrophobicContact CG-CG 4.37Å; M697-Q701 WeakPolarHBondContact O-CB 3.48Å; M697-Q701 WeakPolarHBondContact O-CG 3.28Å; M697-Q701 PolarHBondContact O-N 3.42Å
698	K	69.8	Low	67	Low	142 Å²	142	67.3 Å²	67.3	62%	0.617	34%	0.341	S	S	*	.	H	α-helix	trans	-60.6	-42.6	179.2	-78.5	177.5	-179.3	-177.6	0	112.7	P694 N695 L696 F700 K702	P694-K698 WeakPolarHBondContact O-CB 3.44Å; P694-K698 VanDerWaalsContact O-CG 3.31Å; P694-K698 WeakPolarHBondContact O-CG 3.48Å; P694-K698 PolarHBondContact O-N 3.3Å; N695-K698 PolarHBondContact O-N 3.2Å; L696-K698 PolarHBondContact O-N 3.04Å; K698-F700 VanDerWaalsContact C-N 3.34Å; K698-K702 WeakPolarHBondContact O-CB 3.34Å; K698-K702 PolarHBondContact O-N 3.21Å; K698-K702 VanDerWaalsContact O-N 3.14Å
699	I	69.1	Low	64.9	Low	52 Å²	52	70.6 Å²	70.6	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-64.5	-41.8	-179.6	-67.3	167	0	0	0	110.3	I345 A348 N695 L696 M697 R703	I345-I699 HydrophobicContact CD1-CG2 4.38Å; I345-I699 HydrophobicContact CG1-CG2 3.47Å; I345-I699 VanDerWaalsContact CG1-CG2 3.47Å; A348-I699 HydrophobicContact CB-CD1 3.65Å; N695-I699 WeakPolarHBondContact O-CD1 3.23Å; N695-I699 VanDerWaalsContact O-CG1 3.27Å; N695-I699 WeakPolarHBondContact O-CG1 3.43Å; N695-I699 PolarHBondContact O-N 3.34Å; L696-I699 PolarHBondContact O-N 2.97Å; M697-I699 PolarHBondContact O-N 2.94Å; I699-R703 PolarHBondContact O-N 3.5Å
700	F	64.9	Low	63	Low	11 Å²	11	74 Å²	74	5%	0.048	37%	0.372	C	S	.	.	H	α-helix	trans	-78.4	-36.3	-178.1	-79.8	-72.6	0	0	0	114.2	I345 F675 L696 M697 K698 K702 R703 T704	I345-F700 HydrophobicContact CB-CZ 4.31Å; I345-F700 HydrophobicContact CD1-CD1 4.06Å; I345-F700 HydrophobicContact CD1-CE1 3.77Å; I345-F700 HydrophobicContact CD1-CZ 4.37Å; I345-F700 HydrophobicContact CG1-CD1 4.44Å; I345-F700 HydrophobicContact CG1-CE1 4.05Å; I345-F700 HydrophobicContact CG1-CZ 4.17Å; I345-F700 HydrophobicContact CG2-CE1 3.63Å; I345-F700 HydrophobicContact CG2-CE2 3.94Å; I345-F700 HydrophobicContact CG2-CZ 3.17Å; F675-F700 HydrophobicContact CE1-CD1 4.39Å; F675-F700 HydrophobicContact CE1-CD2 4.38Å; F675-F700 HydrophobicContact CE1-CE1 4.04Å; F675-F700 HydrophobicContact CE1-CE2 4.04Å; F675-F700 AromaticContact CE1-CZ 3.83Å; F675-F700 HydrophobicContact CE1-CZ 3.83Å; F675-F700 AromaticContact CE2-CD2 3.91Å; F675-F700 HydrophobicContact CE2-CD2 3.91Å; F675-F700 HydrophobicContact CE2-CE2 4.09Å; F675-F700 HydrophobicContact CE2-CG 4.39Å; F675-F700 HydrophobicContact CZ-CB 4.35Å; F675-F700 AromaticContact CZ-CD1 3.95Å; F675-F700 HydrophobicContact CZ-CD1 3.95Å; F675-F700 AromaticContact CZ-CD2 3.54Å; F675-F700 HydrophobicContact CZ-CD2 3.54Å; F675-F700 HydrophobicContact CZ-CE1 4Å; F675-F700 AromaticContact CZ-CE2 3.62Å; F675-F700 HydrophobicContact CZ-CE2 3.62Å; F675-F700 AromaticContact CZ-CG 3.7Å; F675-F700 HydrophobicContact CZ-CG 3.7Å; F675-F700 AromaticContact CZ-CZ 3.83Å; F675-F700 HydrophobicContact CZ-CZ 3.83Å; L696-F700 HydrophobicContact CD1-CD2 4.15Å; L696-F700 HydrophobicContact CD1-CE2 3.61Å; L696-F700 HydrophobicContact CD2-CE2 4.42Å; L696-F700 HydrophobicContact CG-CD2 3.89Å; L696-F700 HydrophobicContact CG-CE2 3.71Å; L696-F700 WeakPolarHBondContact O-CD2 3.36Å; L696-F700 PolarHBondContact O-N 3.18Å; L696-F700 VanDerWaalsContact O-N 3.12Å; M697-F700 PolarHBondContact O-N 3.35Å; K698-F700 VanDerWaalsContact C-N 3.34Å; F700-K702 VanDerWaalsContact C-N 3.33Å; F700-R703 PolarHBondContact O-N 3.47Å; F700-T704 WeakPolarHBondContact O-CB 3.48Å; F700-T704 PolarHBondContact O-N 3.38Å; F700-T704 PolarHBondContact O-OG1 3.26Å
701	Q	64.8	Low	60.8	Low	95 Å²	95	77.2 Å²	77.2	44%	0.444	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-45	172.6	-77.6	-177.5	-25.6	0	0	110.8	M697 R703 T704 I705	M697-Q701 HydrophobicContact CG-CG 4.37Å; M697-Q701 WeakPolarHBondContact O-CB 3.48Å; M697-Q701 WeakPolarHBondContact O-CG 3.28Å; M697-Q701 PolarHBondContact O-N 3.42Å; Q701-R703 PolarHBondContact O-N 3.45Å; Q701-T704 PolarHBondContact O-N 3.43Å; Q701-I705 WeakPolarHBondContact O-CD1 3.39Å; Q701-I705 VanDerWaalsContact O-CG1 3.26Å; Q701-I705 WeakPolarHBondContact O-CG1 3.48Å; Q701-I705 PolarHBondContact O-N 3.13Å; Q701-I705 VanDerWaalsContact O-N 3.08Å
702	K	58.4	Low	58.8	Low	159 Å²	159	81.3 Å²	81.3	69%	0.691	41%	0.413	S	S	*	.	H	α-helix	trans	-57.9	-38.8	176.3	-166.3	173.5	-175.9	178	0	111.9	K698 F700 V706	K698-K702 WeakPolarHBondContact O-CB 3.34Å; K698-K702 PolarHBondContact O-N 3.21Å; K698-K702 VanDerWaalsContact O-N 3.14Å; F700-K702 VanDerWaalsContact C-N 3.33Å; K702-V706 VanDerWaalsContact O-CG2 3.29Å; K702-V706 WeakPolarHBondContact O-CG2 3.41Å; K702-V706 PolarHBondContact O-N 3.34Å
703	R	56.8	Low	57	Low	53 Å²	53	85.7 Å²	85.7	20%	0.2	45%	0.446	C	S	.	.	H	α-helix	trans	-78.1	-37.2	-179.4	-161.8	170.6	-167.1	-167.1	4.3	114	N342 I699 F700 Q701 I705 V706 E707	N342-R703 PolarHBondContact OD1-NH1 2.71Å; N342-R703 PolarHBondContact OD1-NH2 3.33Å; I699-R703 PolarHBondContact O-N 3.5Å; F700-R703 PolarHBondContact O-N 3.47Å; Q701-R703 PolarHBondContact O-N 3.45Å; R703-I705 PolarHBondContact O-N 3.03Å; R703-V706 PolarHBondContact O-N 2.79Å; R703-V706 VanDerWaalsContact O-N 3.15Å; R703-E707 PolarHBondContact O-N 3.08Å
704	T	55.7	Low	55	Low	57 Å²	57	90.2 Å²	90.2	35%	0.35	47%	0.473	S	S	.	.	H	α-helix	trans	-63.1	-36.8	175.1	-52.6	0	0	0	0	110.3	R594 F700 Q701 V708	R594-T704 PolarHBondContact NH2-OG1 3.26Å; R594-T704 VanDerWaalsContact NH2-OG1 3.14Å; F700-T704 WeakPolarHBondContact O-CB 3.48Å; F700-T704 PolarHBondContact O-N 3.38Å; F700-T704 PolarHBondContact O-OG1 3.26Å; Q701-T704 PolarHBondContact O-N 3.43Å; T704-V708 WeakPolarHBondContact O-CB 3.42Å; T704-V708 WeakPolarHBondContact O-CG2 3.45Å; T704-V708 PolarHBondContact O-N 3.18Å
705	I	48.2	Very low	53.3	Low	103 Å²	103	91.8 Å²	91.8	53%	0.528	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-44.9	172.1	-66.7	164.7	0	0	0	111	Q701 R703 V708 L709	Q701-I705 WeakPolarHBondContact O-CD1 3.39Å; Q701-I705 VanDerWaalsContact O-CG1 3.26Å; Q701-I705 WeakPolarHBondContact O-CG1 3.48Å; Q701-I705 PolarHBondContact O-N 3.13Å; Q701-I705 VanDerWaalsContact O-N 3.08Å; R703-I705 PolarHBondContact O-N 3.03Å; I705-V708 PolarHBondContact O-N 3.23Å; I705-L709 HydrophobicContact CG2-CD1 3.67Å; I705-L709 HydrophobicContact CG2-CG 4.4Å; I705-L709 WeakPolarHBondContact O-CB 3.47Å; I705-L709 WeakPolarHBondContact O-CD1 3.36Å; I705-L709 WeakPolarHBondContact O-CG 3.44Å; I705-L709 PolarHBondContact O-N 3.44Å
706	V	48.2	Very low	51.5	Low	59 Å²	59	95 Å²	95	36%	0.358	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-43	177.3	172.9	0	0	0	0	112.2	K702 R703 V708 L709 E710	K702-V706 VanDerWaalsContact O-CG2 3.29Å; K702-V706 WeakPolarHBondContact O-CG2 3.41Å; K702-V706 PolarHBondContact O-N 3.34Å; R703-V706 PolarHBondContact O-N 2.79Å; R703-V706 VanDerWaalsContact O-N 3.15Å; V706-V708 VanDerWaalsContact C-N 3.27Å; V706-V708 PolarHBondContact O-N 3.22Å; V706-L709 PolarHBondContact O-N 3.11Å; V706-E710 HydrophobicContact CG1-CG 4.12Å; V706-E710 WeakPolarHBondContact O-CB 3.35Å; V706-E710 WeakPolarHBondContact O-CG 3.47Å; V706-E710 PolarHBondContact O-N 3.34Å
707	E	50.7	Low	49.5	Very low	62 Å²	62	105.8 Å²	105.8	29%	0.29	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-27.8	176.8	-77.1	174.4	-177.3	0	0	112.9	R594 R703	R594-E707 IonicContact CZ-OE2 3.55Å; R594-E707 IonicContact NE-OE1 3.99Å; R594-E707 IonicContact NE-OE2 3.77Å; R594-E707 PolarHBondContact NE-OE2 3.49Å; R594-E707 IonicContact NH2-OE2 2.94Å; R594-E707 PolarHBondContact NH2-OE2 3.28Å; R703-E707 PolarHBondContact O-N 3.08Å
708	V	46.9	Very low	47.6	Very low	97 Å²	97	108.6 Å²	108.6	59%	0.588	56%	0.56	S	S	*	*	H	α-helix	trans	-76.6	-36.5	172.8	169.5	0	0	0	0	111.2	T704 I705 V706	T704-V708 WeakPolarHBondContact O-CB 3.42Å; T704-V708 WeakPolarHBondContact O-CG2 3.45Å; T704-V708 PolarHBondContact O-N 3.18Å; I705-V708 PolarHBondContact O-N 3.23Å; V706-V708 VanDerWaalsContact C-N 3.27Å; V706-V708 PolarHBondContact O-N 3.22Å
709	L	38.4	Very low	45.8	Very low	134 Å²	134	107.9 Å²	107.9	70%	0.702	57%	0.567	S	S	*	*	H	α-helix	trans	-77.4	-29.5	178.5	-70.4	167.3	0	0	0	113.6	I705 V706	I705-L709 HydrophobicContact CG2-CD1 3.67Å; I705-L709 HydrophobicContact CG2-CG 4.4Å; I705-L709 WeakPolarHBondContact O-CB 3.47Å; I705-L709 WeakPolarHBondContact O-CD1 3.36Å; I705-L709 WeakPolarHBondContact O-CG 3.44Å; I705-L709 PolarHBondContact O-N 3.44Å; V706-L709 PolarHBondContact O-N 3.11Å
710	E	42.6	Very low	44.1	Very low	130 Å²	130	111 Å²	111	61%	0.607	59%	0.589	S	S	*	*	S	Bend	trans	-85.6	-3.1	178.7	-74.5	-177	164.6	0	0	113.4	V706	V706-E710 HydrophobicContact CG1-CG 4.12Å; V706-E710 WeakPolarHBondContact O-CB 3.35Å; V706-E710 WeakPolarHBondContact O-CG 3.47Å; V706-E710 PolarHBondContact O-N 3.34Å
711	R	37.3	Very low	42.6	Very low	130 Å²	130	121.9 Å²	121.9	49%	0.491	63%	0.63	S	S	.	*	S	Bend	trans	-70.6	128	170.6	-82.7	-176.7	-158.4	-146.9	3.9	109.3	S713	R711-S713 PolarHBondContact O-N 3.19Å
712	P	39.3	Very low	41.1	Very low	120 Å²	120	128.8 Å²	128.8	78%	0.779	65%	0.652	S	S	*	*			trans	-59.4	116.7	170.8	23.8	-30.2	0	0	0	107.9	T714	P712-T714 PolarHBondContact O-N 2.83Å
713	S	40.9	Very low	40.1	Very low	112 Å²	112	133 Å²	133	78%	0.783	66%	0.663	S	S	*	*			trans	-57.5	107.3	173.1	50.3	0	0	0	0	108.2	R711	R711-S713 PolarHBondContact O-N 3.19Å
714	T	34.8	Very low	39	Very low	126 Å²	126	145.6 Å²	145.6	77%	0.773	71%	0.711	S	S	*	*			trans	-59.1	129	156.5	20.2	0	0	0	0	106.4	P712 L716	P712-T714 PolarHBondContact O-N 2.83Å; T714-L716 PolarHBondContact O-N 2.82Å; T714-L716 VanDerWaalsContact O-N 3.09Å
715	P	36.2	Very low	38.2	Very low	122 Å²	122	150 Å²	150	79%	0.792	73%	0.729	S	S	*	*			trans	-64	120	-173.4	24	-30.9	0	0	0	109	R717	P715-R717 PolarHBondContact O-N 2.86Å
716	L	33.8	Very low	37.7	Very low	163 Å²	163	152.5 Å²	152.5	85%	0.853	74%	0.739	S	S	*	*			trans	-56.5	111.9	166.9	-93	115.7	0	0	0	108.1	T714 V718	T714-L716 PolarHBondContact O-N 2.82Å; T714-L716 VanDerWaalsContact O-N 3.09Å; L716-V718 PolarHBondContact O-N 3.19Å
717	R	30.6	Very low	37.1	Very low	235 Å²	235	157.7 Å²	157.7	89%	0.887	76%	0.761	S	S	*	*			trans	-60.9	102.6	160.5	-104.8	-176.6	-174.7	-177.4	2.5	107.3	P715 V719	P715-R717 PolarHBondContact O-N 2.86Å; R717-V719 PolarHBondContact O-N 2.68Å
718	V	31.7	Very low	36.3	Very low	118 Å²	118	163.3 Å²	163.3	72%	0.715	79%	0.788	S	S	*	*			trans	-64.4	98.6	165.9	-179.7	0	0	0	0	107.1	L716 T720	L716-V718 PolarHBondContact O-N 3.19Å; V718-T720 VanDerWaalsContact C-N 3.33Å; V718-T720 HydrophobicContact CG1-CG2 4Å; V718-T720 PolarHBondContact O-N 3.44Å; V718-T720 VanDerWaalsContact O-N 3.14Å
719	V	32.9	Very low	35.6	Very low	127 Å²	127	167.4 Å²	167.4	77%	0.77	80%	0.801	S	S	*	*			trans	-77.9	91.7	164	179.1	0	0	0	0	106.5	R717 R721	R717-V719 PolarHBondContact O-N 2.68Å; V719-R721 PolarHBondContact O-N 3.23Å
720	T	33.2	Very low	35.4	Very low	117 Å²	117	169.7 Å²	169.7	72%	0.718	81%	0.807	S	S	*	*			trans	-65.2	98.2	165.1	31.2	0	0	0	0	108.7	V718 R722	V718-T720 VanDerWaalsContact C-N 3.33Å; V718-T720 HydrophobicContact CG1-CG2 4Å; V718-T720 PolarHBondContact O-N 3.44Å; V718-T720 VanDerWaalsContact O-N 3.14Å; T720-R722 VanDerWaalsContact C-N 3.34Å; T720-R722 PolarHBondContact O-N 3.13Å
721	R	32.7	Very low	34.9	Very low	240 Å²	240	172.5 Å²	172.5	91%	0.906	82%	0.822	S	S	*	*			trans	-73	91.2	166.8	-153.6	177.6	-170.8	-178.3	2.4	107.9	V719 R723	V719-R721 PolarHBondContact O-N 3.23Å; R721-R723 PolarHBondContact O-N 2.86Å
722	R	33.1	Very low	34.7	Very low	240 Å²	240	175.8 Å²	175.8	91%	0.906	85%	0.847	S	S	*	*			trans	-61.3	122.3	168.9	-108.4	-179.9	-178.6	177.9	0.9	108.4	T720 R724	T720-R722 VanDerWaalsContact C-N 3.34Å; T720-R722 PolarHBondContact O-N 3.13Å; R722-R724 PolarHBondContact O-N 3.01Å
723	R	39	Very low	34.3	Very low	247 Å²	247	180.4 Å²	180.4	93%	0.932	85%	0.853	S	S	*	*			trans	-67.9	115.1	159.4	-81.8	179.9	172.5	178.5	-2.7	108.3	R721	R721-R723 PolarHBondContact O-N 2.86Å
724	R	33.2	Very low	33.7	Very low	318 Å²	318	186.6 Å²	186.6	100%	1.2	86%	0.859	S	S	*	*			trans	-161.8	0	131.5	-104.9	-176.2	-164.4	-171.1	4.2	108.1	R722	R722-R724 PolarHBondContact O-N 3.01Å

Retrieved 724 of 724 residues in 641.9 ms (Link to these results)

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