A0A087XDF8_POEFO Loading...

Si:ch211-168d1.3

AlphaFold DB , UniProt , Accession A0A087XDF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 734 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	30.8	Very low	30.5	Very low	236 Å²	236	158.7 Å²	158.7	100%	1.163	86%	0.86	S	S	*	*				0	139	0	-79.5	170.2	163.9	0	0	106.9
2	Q	30.5	Very low	31.7	Very low	193 Å²	193	159.4 Å²	159.4	90%	0.902	85%	0.853	S	S	*	*			trans	39.5	103.1	166.3	-75	164.2	-36.1	0	0	117.6
3	E	26.6	Very low	33.3	Very low	197 Å²	197	164.8 Å²	164.8	92%	0.921	85%	0.854	S	S	*	*			trans	-75.8	146.9	154.9	-64.8	165	121	0	0	109.1
4	E	30.1	Very low	35.8	Very low	200 Å²	200	160 Å²	160	94%	0.935	85%	0.85	S	S	*	*			trans	-87.6	111.5	177.4	-67.7	-173.9	119.9	0	0	111
5	E	27.7	Very low	38.8	Very low	185 Å²	185	152.8 Å²	152.8	86%	0.864	81%	0.809	S	S	*	*			trans	-84.5	113.1	175.6	-169	174.8	-152.2	0	0	110.7	T7	E5-T7 PolarHBondContact O-N 3.36Å; E5-T7 VanDerWaalsContact O-N 3.17Å
6	S	27.8	Very low	41.8	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	78%	0.782	S	S	*	*			trans	-71.9	108	-174.2	61.4	0	0	0	0	112.5	Q8	S6-Q8 PolarHBondContact O-N 3.13Å
7	T	30	Very low	44.6	Very low	130 Å²	130	140.8 Å²	140.8	80%	0.798	75%	0.753	S	S	*	*			trans	-73.9	94.3	-179.1	40	0	0	0	0	112.6	E5 T9	E5-T7 PolarHBondContact O-N 3.36Å; E5-T7 VanDerWaalsContact O-N 3.17Å; T7-T9 PolarHBondContact O-N 2.87Å
8	Q	30.1	Very low	47.1	Very low	185 Å²	185	135.3 Å²	135.3	86%	0.864	72%	0.723	S	S	*	*			trans	-64.3	102.8	166.8	-69.1	-172.1	3.2	0	0	110.3	S6 G10	S6-Q8 PolarHBondContact O-N 3.13Å; Q8-G10 PolarHBondContact O-N 2.88Å
9	T	33.4	Very low	49.2	Very low	140 Å²	140	131.7 Å²	131.7	86%	0.859	70%	0.704	S	S	*	*			trans	-73.7	67.5	172.2	50.7	0	0	0	0	111.2	T7 S11	T7-T9 PolarHBondContact O-N 2.87Å; T9-S11 PolarHBondContact O-N 3.34Å
10	G	31.3	Very low	51.3	Low	58 Å²	58	126.9 Å²	126.9	60%	0.598	68%	0.675	S	S	*	*			trans	-60.6	127.9	173.7	0	0	0	0	0	111	Q8 Q12	Q8-G10 PolarHBondContact O-N 2.88Å; G10-Q12 PolarHBondContact O-N 2.76Å
11	S	36.9	Very low	53.2	Low	118 Å²	118	120.8 Å²	120.8	83%	0.825	64%	0.643	S	S	*	*			trans	-53.4	114.1	177.5	178.3	0	0	0	0	110.6	T9 R13	T9-S11 PolarHBondContact O-N 3.34Å; S11-R13 PolarHBondContact O-N 3.39Å
12	Q	44.7	Very low	56	Low	167 Å²	167	113.6 Å²	113.6	78%	0.78	61%	0.609	S	S	*	*			trans	-67.9	96.9	-178.5	-70	-169.8	2.3	0	0	110.6	G10 A14	G10-Q12 PolarHBondContact O-N 2.76Å; Q12-A14 PolarHBondContact O-N 3.32Å
13	R	53.1	Low	58.8	Low	230 Å²	230	106.6 Å²	106.6	87%	0.868	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62.9	116.8	176.8	-131.7	179.8	-165.4	164.7	5.9	109.1	S11 F15	S11-R13 PolarHBondContact O-N 3.39Å; R13-F15 PolarHBondContact O-N 3.41Å
14	A	68.3	Low	61.9	Low	97 Å²	97	97.2 Å²	97.2	80%	0.802	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-63.1	122	177.2	0	0	0	0	0	110.8	Q12 S16	Q12-A14 PolarHBondContact O-N 3.32Å; A14-S16 PolarHBondContact O-N 2.93Å
15	F	80.1	Confident	64.9	Low	52 Å²	52	92 Å²	92	23%	0.228	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-61.5	122.5	177.4	-66.7	-84.5	0	0	0	111.3	R13 D19 R20 L23 H130 L133	R13-F15 PolarHBondContact O-N 3.41Å; F15-D19 HydrophobicContact CB-CB 4.47Å; F15-D19 HydrophobicContact CD1-CB 4.21Å; F15-R20 HydrophobicContact CB-CG 4.03Å; F15-R20 PolarHBondContact O-NE 2.8Å; F15-R20 VanDerWaalsContact O-NE 3.1Å; F15-L23 HydrophobicContact CD1-CD1 4.38Å; F15-L23 HydrophobicContact CE1-CD1 4.25Å; F15-H130 HydrophobicContact CZ-CB 3.95Å; F15-L133 HydrophobicContact CB-CD1 4.49Å; F15-L133 HydrophobicContact CD1-CD1 4.08Å; F15-L133 HydrophobicContact CD2-CD1 4.34Å; F15-L133 HydrophobicContact CE1-CD1 4.43Å; F15-L133 HydrophobicContact CG-CD1 4.05Å
16	S	87.9	Confident	67.9	Low	55 Å²	55	85.3 Å²	85.3	39%	0.385	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-70.2	165.3	174.8	77.9	0	0	0	0	111.3	A14 L18 D19 R20	A14-S16 PolarHBondContact O-N 2.93Å; S16-L18 PolarHBondContact O-N 3.06Å; S16-L18 PolarHBondContact OG-N 2.91Å; S16-D19 WeakPolarHBondContact CA-OD2 3.48Å; S16-D19 WeakPolarHBondContact CB-OD2 3.4Å; S16-D19 PolarHBondContact N-OD2 3.22Å; S16-D19 PolarHBondContact O-N 2.86Å; S16-D19 VanDerWaalsContact O-N 3.16Å; S16-D19 PolarHBondContact OG-N 2.95Å; S16-D19 PolarHBondContact OG-OD2 2.9Å; S16-R20 WeakPolarHBondContact O-CG 3.39Å; S16-R20 PolarHBondContact O-N 3.21Å
17	V	88.4	Confident	70.9	Confident	47 Å²	47	80.4 Å²	80.4	29%	0.285	45%	0.447	S	S	.	.	H	α-helix	trans	-55.3	-38	174.7	176.7	0	0	0	0	111.4	L21 A105 C108 L120	V17-L21 HydrophobicContact CG1-CD1 3.94Å; V17-L21 WeakPolarHBondContact O-CB 3.33Å; V17-L21 WeakPolarHBondContact O-CD1 3.48Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.34Å; V17-L21 PolarHBondContact O-N 3.27Å; V17-A105 HydrophobicContact CG1-CB 4.38Å; V17-C108 HydrophobicContact CG1-CB 3.59Å; V17-L120 HydrophobicContact CG1-CD1 4.37Å
18	L	89.4	Confident	73.8	Confident	41 Å²	41	74.2 Å²	74.2	22%	0.215	41%	0.41	C	S	.	.	H	α-helix	trans	-70.3	-40.9	178.1	-178.4	60.6	0	0	0	112.2	S16 R20 L21 L22 C101 R102 A105	S16-L18 PolarHBondContact O-N 3.06Å; S16-L18 PolarHBondContact OG-N 2.91Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.44Å; L18-L21 PolarHBondContact O-N 3.47Å; L18-L22 HydrophobicContact CD1-CD1 4.22Å; L18-L22 HydrophobicContact CD1-CG 4.22Å; L18-L22 HydrophobicContact CG-CD1 3.94Å; L18-L22 HydrophobicContact CG-CG 4.42Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 2.81Å; L18-C101 HydrophobicContact CD1-CB 3.91Å; L18-R102 HydrophobicContact CD1-CG 4.01Å; L18-R102 HydrophobicContact CD2-CG 4.15Å; L18-A105 HydrophobicContact CB-CB 4.08Å; L18-A105 HydrophobicContact CD1-CB 3.92Å
19	D	88	Confident	76.8	Confident	68 Å²	68	67.4 Å²	67.4	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-42.3	178.3	-51.8	-50	0	0	0	110.9	F15 S16 L22 L23	F15-D19 HydrophobicContact CB-CB 4.47Å; F15-D19 HydrophobicContact CD1-CB 4.21Å; S16-D19 WeakPolarHBondContact CA-OD2 3.48Å; S16-D19 WeakPolarHBondContact CB-OD2 3.4Å; S16-D19 PolarHBondContact N-OD2 3.22Å; S16-D19 PolarHBondContact O-N 2.86Å; S16-D19 VanDerWaalsContact O-N 3.16Å; S16-D19 PolarHBondContact OG-N 2.95Å; S16-D19 PolarHBondContact OG-OD2 2.9Å; D19-L22 PolarHBondContact O-N 2.68Å; D19-L23 WeakPolarHBondContact O-CB 3.48Å; D19-L23 WeakPolarHBondContact O-CG 3.39Å; D19-L23 PolarHBondContact O-N 3.45Å
20	R	91.8	Very high	79.6	Confident	34 Å²	34	61.2 Å²	61.2	13%	0.128	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-49.9	174.5	-68.1	168.7	-175.5	-80.1	-5.6	111.2	F15 S16 L18 L22 L23 T24 L120 I124 A125 A127 L133	F15-R20 HydrophobicContact CB-CG 4.03Å; F15-R20 PolarHBondContact O-NE 2.8Å; F15-R20 VanDerWaalsContact O-NE 3.1Å; S16-R20 WeakPolarHBondContact O-CG 3.39Å; S16-R20 PolarHBondContact O-N 3.21Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.44Å; R20-L22 PolarHBondContact O-N 3.02Å; R20-L23 PolarHBondContact O-N 3.39Å; R20-T24 PolarHBondContact O-N 3.04Å; R20-T24 PolarHBondContact O-OG1 2.88Å; R20-T24 VanDerWaalsContact O-OG1 3.05Å; R20-L120 HydrophobicContact CB-CD1 4.24Å; R20-I124 HydrophobicContact CB-CG2 4.18Å; R20-I124 PolarHBondContact NH1-O 3.06Å; R20-A125 PolarHBondContact NH1-O 3.38Å; R20-A127 VanDerWaalsContact CZ-O 3.31Å; R20-A127 PolarHBondContact NH1-O 3.47Å; R20-A127 PolarHBondContact NH2-O 3.32Å; R20-L133 HydrophobicContact CG-CD1 4.15Å; R20-L133 HydrophobicContact CG-CD2 4.33Å
21	L	90.6	Very high	82.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-41.4	179.8	-76.3	165.9	0	0	0	113.1	V17 L18 H25 W28 F50 V104 A105 L120	V17-L21 HydrophobicContact CG1-CD1 3.94Å; V17-L21 WeakPolarHBondContact O-CB 3.33Å; V17-L21 WeakPolarHBondContact O-CD1 3.48Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.34Å; V17-L21 PolarHBondContact O-N 3.27Å; L18-L21 PolarHBondContact O-N 3.47Å; L21-H25 PolarHBondContact O-N 3.31Å; L21-H25 VanDerWaalsContact O-N 3.13Å; L21-W28 HydrophobicContact CB-CZ2 4.18Å; L21-W28 HydrophobicContact CD2-CD2 4.17Å; L21-W28 HydrophobicContact CD2-CG 4.28Å; L21-W28 HydrophobicContact CD2-CZ2 4.17Å; L21-W28 WeakPolarHBondContact O-CZ2 3.49Å; L21-W28 PolarHBondContact O-NE1 2.65Å; L21-F50 HydrophobicContact CD2-CZ 4.1Å; L21-V104 HydrophobicContact CD1-CB 4.2Å; L21-V104 HydrophobicContact CD1-CG1 3.78Å; L21-V104 HydrophobicContact CD2-CB 4.5Å; L21-V104 HydrophobicContact CD2-CG1 3.6Å; L21-V104 HydrophobicContact CG-CG1 4.36Å; L21-A105 VanDerWaalsContact CD1-CA 3.42Å; L21-A105 HydrophobicContact CD1-CB 3.64Å; L21-L120 HydrophobicContact CD2-CD2 3.52Å; L21-L120 HydrophobicContact CG-CD2 3.9Å
22	L	89.9	Confident	84.6	Confident	85 Å²	85	61 Å²	61	45%	0.445	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-46.3	176.1	-75.7	165.5	0	0	0	111.4	L18 D19 R20 H25 C101	L18-L22 HydrophobicContact CD1-CD1 4.22Å; L18-L22 HydrophobicContact CD1-CG 4.22Å; L18-L22 HydrophobicContact CG-CD1 3.94Å; L18-L22 HydrophobicContact CG-CG 4.42Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 2.81Å; D19-L22 PolarHBondContact O-N 2.68Å; R20-L22 PolarHBondContact O-N 3.02Å; L22-H25 PolarHBondContact O-ND1 2.71Å; L22-C101 HydrophobicContact CD2-CB 3.8Å; L22-C101 HydrophobicContact CG-CB 4.18Å
23	L	89.7	Confident	86.7	Confident	46 Å²	46	53.4 Å²	53.4	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-39.8	-179.9	-71.7	170.5	0	0	0	112.4	F15 D19 R20 L133 S137	F15-L23 HydrophobicContact CD1-CD1 4.38Å; F15-L23 HydrophobicContact CE1-CD1 4.25Å; D19-L23 WeakPolarHBondContact O-CB 3.48Å; D19-L23 WeakPolarHBondContact O-CG 3.39Å; D19-L23 PolarHBondContact O-N 3.45Å; R20-L23 PolarHBondContact O-N 3.39Å; L23-L133 HydrophobicContact CB-CB 4.17Å; L23-L133 HydrophobicContact CD1-CB 4.12Å; L23-L133 HydrophobicContact CD1-CD1 3.74Å; L23-S137 VanDerWaalsContact O-CB 3.24Å; L23-S137 WeakPolarHBondContact O-CB 3.34Å; L23-S137 PolarHBondContact O-OG 3.11Å; L23-S137 VanDerWaalsContact O-OG 3.05Å
24	T	91.8	Very high	88.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	23.3	-175.9	70.9	0	0	0	0	114	R20 P26 V27 I124 L133 I136	R20-T24 PolarHBondContact O-N 3.04Å; R20-T24 PolarHBondContact O-OG1 2.88Å; R20-T24 VanDerWaalsContact O-OG1 3.05Å; T24-P26 VanDerWaalsContact C-N 3.32Å; T24-V27 WeakPolarHBondContact O-CB 3.36Å; T24-V27 PolarHBondContact O-N 3.39Å; T24-I124 HydrophobicContact CG2-CD1 4.44Å; T24-I124 HydrophobicContact CG2-CG1 4.19Å; T24-I124 HydrophobicContact CG2-CG2 4.13Å; T24-L133 HydrophobicContact CG2-CB 4.24Å; T24-L133 HydrophobicContact CG2-CD2 3.8Å; T24-I136 HydrophobicContact CG2-CG2 4.17Å
25	H	91.5	Very high	89.4	Confident	89 Å²	89	46.1 Å²	46.1	41%	0.412	25%	0.25	S	S	.	.	H	α-helix	trans	-55.9	-32.7	-179.6	75.7	-90.9	0	0	0	115.2	L21 L22 V27 W28 L29	L21-H25 PolarHBondContact O-N 3.31Å; L21-H25 VanDerWaalsContact O-N 3.13Å; L22-H25 PolarHBondContact O-ND1 2.71Å; H25-V27 PolarHBondContact O-N 3.11Å; H25-V27 VanDerWaalsContact O-N 3.11Å; H25-W28 HydrophobicContact CB-CZ2 3.83Å; H25-W28 PolarHBondContact O-N 3.12Å; H25-L29 WeakPolarHBondContact O-CB 3.46Å; H25-L29 PolarHBondContact O-N 3.11Å
26	P	90.5	Very high	89.7	Confident	46 Å²	46	49.1 Å²	49.1	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-11.8	176.3	-21.9	36.5	0	0	0	114.4	T24 Q30 S137 G140	T24-P26 VanDerWaalsContact C-N 3.32Å; P26-Q30 PolarHBondContact O-NE2 3.44Å; P26-S137 WeakPolarHBondContact CD-OG 3.44Å; P26-S137 WeakPolarHBondContact CG-OG 3.48Å; P26-G140 CarbonylContact O-C 3.6Å; P26-G140 WeakPolarHBondContact O-CA 3.31Å
27	V	90.8	Very high	89.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-88.7	-45.8	177.7	177.3	0	0	0	0	111.8	T24 H25 Q30 I124 I136 G140 F143 W144	T24-V27 WeakPolarHBondContact O-CB 3.36Å; T24-V27 PolarHBondContact O-N 3.39Å; H25-V27 PolarHBondContact O-N 3.11Å; H25-V27 VanDerWaalsContact O-N 3.11Å; V27-Q30 WeakPolarHBondContact O-CG 3.27Å; V27-Q30 PolarHBondContact O-NE2 3.3Å; V27-I124 HydrophobicContact CB-CD1 4.43Å; V27-I124 HydrophobicContact CG1-CD1 4.09Å; V27-I136 HydrophobicContact CG2-CG2 4.05Å; V27-I136 VanDerWaalsContact CG2-O 3.27Å; V27-I136 WeakPolarHBondContact CG2-O 3.38Å; V27-G140 WeakPolarHBondContact CA-O 3.3Å; V27-F143 HydrophobicContact CG1-CB 3.78Å; V27-F143 HydrophobicContact CG1-CD1 3.31Å; V27-F143 HydrophobicContact CG1-CD2 4.07Å; V27-F143 HydrophobicContact CG1-CE1 3.87Å; V27-F143 HydrophobicContact CG1-CG 3.43Å; V27-F143 VanDerWaalsContact CG1-CG 3.43Å; V27-F143 HydrophobicContact CG1-CZ 4.44Å; V27-F143 HydrophobicContact CG2-CB 4.2Å; V27-F143 HydrophobicContact CG2-CD2 4.48Å; V27-F143 HydrophobicContact CG2-CG 4.31Å; V27-W144 HydrophobicContact CG1-CZ2 4.12Å; V27-W144 PolarHBondContact O-NE1 2.91Å
28	W	92.6	Very high	89.8	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-96.3	-18	-175.8	60.7	-98.2	0	0	0	114.3	L21 H25 Q30 F50 L51 V52 C101 V104	L21-W28 HydrophobicContact CB-CZ2 4.18Å; L21-W28 HydrophobicContact CD2-CD2 4.17Å; L21-W28 HydrophobicContact CD2-CG 4.28Å; L21-W28 HydrophobicContact CD2-CZ2 4.17Å; L21-W28 WeakPolarHBondContact O-CZ2 3.49Å; L21-W28 PolarHBondContact O-NE1 2.65Å; H25-W28 HydrophobicContact CB-CZ2 3.83Å; H25-W28 PolarHBondContact O-N 3.12Å; W28-Q30 PolarHBondContact O-N 3.4Å; W28-F50 HydrophobicContact CB-CE2 4.14Å; W28-F50 HydrophobicContact CE3-CE2 4.45Å; W28-F50 HydrophobicContact CG-CE2 4.4Å; W28-L51 CarbonylContact O-C 3.54Å; W28-V52 HydrophobicContact CE3-CG2 4.22Å; W28-V52 HydrophobicContact CZ3-CG2 4.31Å; W28-V52 PolarHBondContact O-N 3.5Å; W28-C101 HydrophobicContact CZ2-CB 4.49Å; W28-V104 HydrophobicContact CE3-CG2 4.31Å; W28-V104 HydrophobicContact CH2-CG2 4.32Å; W28-V104 HydrophobicContact CZ3-CG2 3.85Å
29	L	92.7	Very high	89.8	Confident	41 Å²	41	46.1 Å²	46.1	22%	0.215	25%	0.25	C	S	.	.			trans	-97.3	62.1	179.9	-170.2	54.5	0	0	0	112.1	H25 L31 V52 L100	H25-L29 WeakPolarHBondContact O-CB 3.46Å; H25-L29 PolarHBondContact O-N 3.11Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 HydrophobicContact CD1-CD2 3.78Å; L29-L31 HydrophobicContact CD1-CG 4.07Å; L29-L31 HydrophobicContact CG-CD1 4.42Å; L29-L31 HydrophobicContact CG-CD2 4.37Å; L29-L31 HydrophobicContact CG-CG 4.09Å; L29-L31 PolarHBondContact O-N 3.18Å; L29-V52 CarbonylContact C-O 3.52Å; L29-V52 HydrophobicContact CD1-CB 3.83Å; L29-V52 HydrophobicContact CD1-CG1 3.67Å; L29-L100 HydrophobicContact CD1-CD1 4.09Å; L29-L100 HydrophobicContact CD2-CD1 4.27Å
30	Q	91.6	Very high	89.8	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.047	26%	0.261	C	S	.	.			trans	-79	65.7	-175	-62.9	-61	-18.7	0	0	113.5	P26 V27 W28 S32 L33 V52 R53 G140	P26-Q30 PolarHBondContact O-NE2 3.44Å; V27-Q30 WeakPolarHBondContact O-CG 3.27Å; V27-Q30 PolarHBondContact O-NE2 3.3Å; W28-Q30 PolarHBondContact O-N 3.4Å; Q30-S32 PolarHBondContact O-N 3.07Å; Q30-L33 HydrophobicContact CB-CB 3.7Å; Q30-L33 HydrophobicContact CB-CD1 3.93Å; Q30-L33 HydrophobicContact CB-CG 4.35Å; Q30-L33 HydrophobicContact CG-CD1 4.09Å; Q30-L33 WeakPolarHBondContact O-CB 3.4Å; Q30-L33 PolarHBondContact O-N 3.16Å; Q30-L33 VanDerWaalsContact O-N 3.1Å; Q30-V52 CarbonylContact C-O 3.59Å; Q30-V52 PolarHBondContact N-O 2.89Å; Q30-R53 WeakPolarHBondContact O-CA 3.27Å; Q30-G140 PolarHBondContact NE2-O 2.74Å
31	L	88.7	Confident	89.7	Confident	72 Å²	72	49.3 Å²	49.3	38%	0.377	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	-174.6	-63.9	-179.3	0	0	0	115.2	L29 K54 K61	L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 HydrophobicContact CD1-CD2 3.78Å; L29-L31 HydrophobicContact CD1-CG 4.07Å; L29-L31 HydrophobicContact CG-CD1 4.42Å; L29-L31 HydrophobicContact CG-CD2 4.37Å; L29-L31 HydrophobicContact CG-CG 4.09Å; L29-L31 PolarHBondContact O-N 3.18Å; L31-K54 HydrophobicContact CD2-CB 4.49Å; L31-K54 WeakPolarHBondContact O-CB 3.5Å; L31-K61 HydrophobicContact CD2-CG 4.2Å
32	S	85.1	Confident	89.7	Confident	100 Å²	100	49.3 Å²	49.3	70%	0.699	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-13.7	175.8	46.4	0	0	0	0	114	Q30	Q30-S32 PolarHBondContact O-N 3.07Å
33	L	88.6	Confident	89.7	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.037	25%	0.249	C	C	.	.			trans	-90.2	126.8	-161	-164.8	145.3	0	0	0	111.5	Q30 A38 L51 Q141	Q30-L33 HydrophobicContact CB-CB 3.7Å; Q30-L33 HydrophobicContact CB-CD1 3.93Å; Q30-L33 HydrophobicContact CB-CG 4.35Å; Q30-L33 HydrophobicContact CG-CD1 4.09Å; Q30-L33 WeakPolarHBondContact O-CB 3.4Å; Q30-L33 PolarHBondContact O-N 3.16Å; Q30-L33 VanDerWaalsContact O-N 3.1Å; L33-A38 VanDerWaalsContact CD2-CA 3.49Å; L33-A38 HydrophobicContact CD2-CB 3.65Å; L33-A38 VanDerWaalsContact CD2-N 3.26Å; L33-L51 HydrophobicContact CD2-CD2 4.48Å; L33-Q141 HydrophobicContact CD1-CG 4.13Å
34	N	87.7	Confident	89.5	Confident	85 Å²	85	48 Å²	48	46%	0.455	25%	0.249	S	C	.	.			trans	-76.6	169.8	-174.5	75.9	5.3	0	0	0	112.5	D36 S37 A38	N34-D36 PolarHBondContact O-N 3.13Å; N34-S37 PolarHBondContact O-N 3.07Å; N34-S37 WeakPolarHBondContact OD1-CB 3.27Å; N34-S37 PolarHBondContact OD1-N 3.11Å; N34-S37 PolarHBondContact OD1-OG 3.16Å; N34-A38 WeakPolarHBondContact O-CB 3.49Å; N34-A38 PolarHBondContact O-N 3.32Å
35	Q	89.6	Confident	89.3	Confident	90 Å²	90	49.9 Å²	49.9	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-43.1	-175.1	-174.8	161.2	-17	0	0	112.7	A38 L39 R53	Q35-A38 WeakPolarHBondContact O-CB 3.44Å; Q35-A38 PolarHBondContact O-N 3.06Å; Q35-L39 HydrophobicContact CG-CD1 4.34Å; Q35-L39 WeakPolarHBondContact O-CG 3.47Å; Q35-L39 PolarHBondContact O-N 3.21Å; Q35-R53 VanDerWaalsContact CD-NH2 3.34Å; Q35-R53 VanDerWaalsContact OE1-NH2 3.11Å
36	D	87.5	Confident	89.1	Confident	115 Å²	115	49.4 Å²	49.4	62%	0.615	26%	0.263	S	S	*	.	H	α-helix	trans	-69.6	-36.4	-177.1	-49.4	-68.4	0	0	0	112.3	N34 L39 Y40	N34-D36 PolarHBondContact O-N 3.13Å; D36-L39 PolarHBondContact O-N 3.15Å; D36-Y40 WeakPolarHBondContact O-CB 3.43Å; D36-Y40 PolarHBondContact O-N 3.3Å
37	S	88	Confident	89.1	Confident	48 Å²	48	49.6 Å²	49.6	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-37.7	171.7	-56.4	0	0	0	0	111.5	N34 Y40 V41	N34-S37 PolarHBondContact O-N 3.07Å; N34-S37 WeakPolarHBondContact OD1-CB 3.27Å; N34-S37 PolarHBondContact OD1-N 3.11Å; N34-S37 PolarHBondContact OD1-OG 3.16Å; S37-Y40 PolarHBondContact O-N 3.26Å; S37-V41 WeakPolarHBondContact O-CB 3.47Å; S37-V41 WeakPolarHBondContact O-CG2 3.45Å; S37-V41 PolarHBondContact O-N 3.18Å
38	A	89.2	Confident	89	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-41.4	177.6	0	0	0	0	0	111.3	L33 N34 Q35 L42 L51	L33-A38 VanDerWaalsContact CD2-CA 3.49Å; L33-A38 HydrophobicContact CD2-CB 3.65Å; L33-A38 VanDerWaalsContact CD2-N 3.26Å; N34-A38 WeakPolarHBondContact O-CB 3.49Å; N34-A38 PolarHBondContact O-N 3.32Å; Q35-A38 WeakPolarHBondContact O-CB 3.44Å; Q35-A38 PolarHBondContact O-N 3.06Å; A38-L42 WeakPolarHBondContact O-CB 3.33Å; A38-L42 VanDerWaalsContact O-CG 3.31Å; A38-L42 WeakPolarHBondContact O-CG 3.45Å; A38-L42 PolarHBondContact O-N 2.67Å; A38-L51 HydrophobicContact CB-CD1 4.02Å; A38-L51 HydrophobicContact CB-CD2 4.37Å
39	L	89.8	Confident	89	Confident	30 Å²	30	49.6 Å²	49.6	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-51.3	171.1	-68.8	170.9	0	0	0	110.8	Q35 D36 V41 L42 L43 V76	Q35-L39 HydrophobicContact CG-CD1 4.34Å; Q35-L39 WeakPolarHBondContact O-CG 3.47Å; Q35-L39 PolarHBondContact O-N 3.21Å; D36-L39 PolarHBondContact O-N 3.15Å; L39-V41 PolarHBondContact O-N 3.31Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-L43 HydrophobicContact CB-CD1 4.48Å; L39-L43 VanDerWaalsContact O-CB 3.26Å; L39-L43 WeakPolarHBondContact O-CB 3.43Å; L39-L43 WeakPolarHBondContact O-CD1 3.48Å; L39-L43 WeakPolarHBondContact O-CG 3.44Å; L39-L43 PolarHBondContact O-N 2.75Å; L39-V76 HydrophobicContact CD2-CB 3.67Å; L39-V76 HydrophobicContact CD2-CG1 4Å; L39-V76 HydrophobicContact CD2-CG2 3.93Å
40	Y	88.4	Confident	89.2	Confident	152 Å²	152	47.7 Å²	47.7	60%	0.596	25%	0.253	S	S	*	.	H	α-helix	trans	-57.7	-44.2	-179	-178.6	-95.4	0	0	0	113.1	D36 S37	D36-Y40 WeakPolarHBondContact O-CB 3.43Å; D36-Y40 PolarHBondContact O-N 3.3Å; S37-Y40 PolarHBondContact O-N 3.26Å
41	V	90.2	Very high	89.3	Confident	18 Å²	18	47.2 Å²	47.2	11%	0.109	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-57.6	174.8	167.3	0	0	0	0	110.5	S37 L39 L43 R44 L51 W144	S37-V41 WeakPolarHBondContact O-CB 3.47Å; S37-V41 WeakPolarHBondContact O-CG2 3.45Å; S37-V41 PolarHBondContact O-N 3.18Å; L39-V41 PolarHBondContact O-N 3.31Å; V41-L43 VanDerWaalsContact C-N 3.26Å; V41-L43 PolarHBondContact O-N 3.41Å; V41-R44 PolarHBondContact O-N 3.35Å; V41-R44 VanDerWaalsContact O-N 3.08Å; V41-L51 HydrophobicContact CB-CD2 4.49Å; V41-L51 HydrophobicContact CG1-CD2 4.16Å; V41-W144 HydrophobicContact CG1-CB 3.82Å; V41-W144 HydrophobicContact CG1-CD2 3.51Å; V41-W144 HydrophobicContact CG1-CE3 3.47Å; V41-W144 VanDerWaalsContact CG1-CE3 3.47Å; V41-W144 HydrophobicContact CG1-CG 3.72Å; V41-W144 HydrophobicContact CG1-CZ3 4.18Å; V41-W144 HydrophobicContact CG2-CB 3.87Å; V41-W144 HydrophobicContact CG2-CG 4.41Å
42	L	90.3	Very high	89.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-28.6	-174.3	-68	175.3	0	0	0	112.9	A38 L39 R44 E45 T49 L51 C64 R66 V76	A38-L42 WeakPolarHBondContact O-CB 3.33Å; A38-L42 VanDerWaalsContact O-CG 3.31Å; A38-L42 WeakPolarHBondContact O-CG 3.45Å; A38-L42 PolarHBondContact O-N 2.67Å; L39-L42 PolarHBondContact O-N 2.92Å; L42-R44 PolarHBondContact O-N 2.94Å; L42-E45 PolarHBondContact O-N 2.83Å; L42-E45 VanDerWaalsContact O-N 3.17Å; L42-T49 HydrophobicContact CD2-CG2 4.23Å; L42-L51 HydrophobicContact CD1-CG 4.31Å; L42-L51 HydrophobicContact CD2-CD2 4.4Å; L42-L51 HydrophobicContact CG-CD2 4.2Å; L42-L51 HydrophobicContact CG-CG 4.45Å; L42-C64 HydrophobicContact CD1-CB 3.56Å; L42-R66 WeakPolarHBondContact O-CD 3.42Å; L42-R66 PolarHBondContact O-NE 3.23Å; L42-V76 HydrophobicContact CB-CG2 4Å; L42-V76 HydrophobicContact CD1-CG1 3.79Å
43	L	88.8	Confident	90.1	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-26	175.6	-77.5	166.6	0	0	0	113.7	L39 V41 R66	L39-L43 HydrophobicContact CB-CD1 4.48Å; L39-L43 VanDerWaalsContact O-CB 3.26Å; L39-L43 WeakPolarHBondContact O-CB 3.43Å; L39-L43 WeakPolarHBondContact O-CD1 3.48Å; L39-L43 WeakPolarHBondContact O-CG 3.44Å; L39-L43 PolarHBondContact O-N 2.75Å; V41-L43 VanDerWaalsContact C-N 3.26Å; V41-L43 PolarHBondContact O-N 3.41Å; L43-R66 PolarHBondContact O-NH2 3.38Å
44	R	86.8	Confident	90.2	Very high	64 Å²	64	42.9 Å²	42.9	24%	0.242	22%	0.216	C	C	.	.	H	α-helix	trans	-85.6	-17.9	175.9	-62.7	176.9	71	-147.1	4.2	112.9	V41 L42 D151	V41-R44 PolarHBondContact O-N 3.35Å; V41-R44 VanDerWaalsContact O-N 3.08Å; L42-R44 PolarHBondContact O-N 2.94Å; R44-D151 IonicContact CZ-OD2 3.7Å; R44-D151 IonicContact NE-OD2 3.5Å; R44-D151 PolarHBondContact NE-OD2 2.99Å; R44-D151 IonicContact NH2-OD2 2.8Å; R44-D151 PolarHBondContact NH2-OD2 3.46Å
45	E	88.1	Confident	90.2	Very high	39 Å²	39	39.2 Å²	39.2	18%	0.182	20%	0.197	C	C	.	.	S	Bend	trans	-93.4	158.3	-174.1	-70.8	-63.3	116.8	0	0	113.3	L42 T49 R66 W144	L42-E45 PolarHBondContact O-N 2.83Å; L42-E45 VanDerWaalsContact O-N 3.17Å; E45-T49 HydrophobicContact CB-CG2 3.81Å; E45-T49 HydrophobicContact CG-CG2 3.99Å; E45-R66 PolarHBondContact O-NE 3.06Å; E45-W144 HydrophobicContact CG-CE3 4.13Å; E45-W144 HydrophobicContact CG-CZ3 3.81Å
46	P	87.1	Confident	90	Very high	78 Å²	78	39.7 Å²	39.7	51%	0.506	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-70.6	155.8	178.7	28.1	-33.7	0	0	0	113	G48 T49	P46-G48 PolarHBondContact O-N 3.02Å; P46-T49 WeakPolarHBondContact CD-OG1 3.19Å; P46-T49 WeakPolarHBondContact CG-OG1 3.17Å; P46-T49 WeakPolarHBondContact O-CB 3.38Å; P46-T49 PolarHBondContact O-N 2.88Å; P46-T49 PolarHBondContact O-OG1 3.47Å
47	V	89.6	Confident	89.7	Confident	50 Å²	50	39.3 Å²	39.3	30%	0.303	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	121.7	176.4	-178.6	0	0	0	0	110.4	R66 V67 A69 F116 Q119	V47-R66 HydrophobicContact CG2-CG 4.48Å; V47-V67 WeakPolarHBondContact CG1-O 3.49Å; V47-A69 HydrophobicContact CG2-CB 3.88Å; V47-F116 HydrophobicContact CG1-CE1 3.86Å; V47-F116 HydrophobicContact CG1-CE2 4.25Å; V47-F116 HydrophobicContact CG1-CZ 3.39Å; V47-Q119 PolarHBondContact O-NE2 3.39Å
48	G	88.8	Confident	89.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.3	-30.3	-167.1	0	0	0	0	0	113.9	P46 L65 R66 Q119	P46-G48 PolarHBondContact O-N 3.02Å; G48-L65 WeakPolarHBondContact O-CD1 3.17Å; G48-R66 PolarHBondContact N-O 3.5Å; G48-Q119 PolarHBondContact O-N 3.14Å
49	T	93.3	Very high	89.4	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	24%	0.242	C	C	.	.			trans	-70.5	145.5	-175.9	-49.8	0	0	0	0	112	L42 E45 P46 R66 P121 W144	L42-T49 HydrophobicContact CD2-CG2 4.23Å; E45-T49 HydrophobicContact CB-CG2 3.81Å; E45-T49 HydrophobicContact CG-CG2 3.99Å; P46-T49 WeakPolarHBondContact CD-OG1 3.19Å; P46-T49 WeakPolarHBondContact CG-OG1 3.17Å; P46-T49 WeakPolarHBondContact O-CB 3.38Å; P46-T49 PolarHBondContact O-N 2.88Å; P46-T49 PolarHBondContact O-OG1 3.47Å; T49-R66 WeakPolarHBondContact O-CB 3.37Å; T49-R66 PolarHBondContact O-N 3.31Å; T49-P121 HydrophobicContact CG2-CG 4.22Å; T49-W144 HydrophobicContact CG2-CH2 3.83Å; T49-W144 HydrophobicContact CG2-CZ3 3.86Å
50	F	95.6	Very high	89.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.2	-173.4	72.1	-82.8	0	0	0	113	L21 W28 L63 C64 L65 V104 L118 Q119 L120	L21-F50 HydrophobicContact CD2-CZ 4.1Å; W28-F50 HydrophobicContact CB-CE2 4.14Å; W28-F50 HydrophobicContact CE3-CE2 4.45Å; W28-F50 HydrophobicContact CG-CE2 4.4Å; F50-L63 HydrophobicContact CB-CD1 4.1Å; F50-L63 HydrophobicContact CD2-CD1 3.7Å; F50-L63 HydrophobicContact CG-CD1 4.21Å; F50-C64 CarbonylContact C-O 3.56Å; F50-C64 WeakPolarHBondContact CA-O 3.37Å; F50-C64 WeakPolarHBondContact CB-O 3.26Å; F50-L65 HydrophobicContact CB-CD1 4.37Å; F50-V104 HydrophobicContact CD2-CG1 4.4Å; F50-V104 HydrophobicContact CE1-CG1 4.37Å; F50-V104 HydrophobicContact CE2-CG1 3.38Å; F50-V104 HydrophobicContact CE2-CG2 4.46Å; F50-V104 HydrophobicContact CZ-CG1 3.36Å; F50-L118 HydrophobicContact CB-CD2 3.91Å; F50-L118 HydrophobicContact CD1-CB 3.69Å; F50-L118 HydrophobicContact CD1-CD1 4.13Å; F50-L118 HydrophobicContact CD1-CD2 4.14Å; F50-L118 HydrophobicContact CD1-CG 4.2Å; F50-L118 HydrophobicContact CD2-CD1 4.16Å; F50-L118 HydrophobicContact CE1-CB 3.91Å; F50-L118 HydrophobicContact CE1-CD1 4.33Å; F50-L118 HydrophobicContact CE2-CD1 4.39Å; F50-L118 HydrophobicContact CG-CB 4.35Å; F50-L118 HydrophobicContact CG-CD1 4.04Å; F50-L118 HydrophobicContact CG-CD2 4.03Å; F50-L118 HydrophobicContact CG-CG 4.37Å; F50-L118 HydrophobicContact CZ-CD1 4.47Å; F50-Q119 WeakPolarHBondContact CD1-O 3.34Å; F50-Q119 WeakPolarHBondContact CE1-O 3.15Å; F50-L120 HydrophobicContact CE1-CD2 4.37Å; F50-L120 HydrophobicContact CZ-CD2 4.35Å
51	L	94.6	Very high	89.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.7	164.8	61.4	83.2	0	0	0	110.4	W28 L33 A38 V41 L42 R53 C64	W28-L51 CarbonylContact O-C 3.54Å; L33-L51 HydrophobicContact CD2-CD2 4.48Å; A38-L51 HydrophobicContact CB-CD1 4.02Å; A38-L51 HydrophobicContact CB-CD2 4.37Å; V41-L51 HydrophobicContact CB-CD2 4.49Å; V41-L51 HydrophobicContact CG1-CD2 4.16Å; L42-L51 HydrophobicContact CD1-CG 4.31Å; L42-L51 HydrophobicContact CD2-CD2 4.4Å; L42-L51 HydrophobicContact CG-CD2 4.2Å; L42-L51 HydrophobicContact CG-CG 4.45Å; L51-R53 HydrophobicContact CD1-CB 4Å; L51-R53 HydrophobicContact CD1-CG 4.46Å; L51-C64 HydrophobicContact CD1-CB 4.12Å; L51-C64 HydrophobicContact CG-CB 4.4Å; L51-C64 PolarHBondContact N-O 3.16Å; L51-C64 PolarHBondContact O-N 2.88Å
52	V	95.3	Very high	89.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.5	174.5	179.1	0	0	0	0	109.4	W28 L29 Q30 K61 V62 L63 I81 V104	W28-V52 HydrophobicContact CE3-CG2 4.22Å; W28-V52 HydrophobicContact CZ3-CG2 4.31Å; W28-V52 PolarHBondContact O-N 3.5Å; L29-V52 CarbonylContact C-O 3.52Å; L29-V52 HydrophobicContact CD1-CB 3.83Å; L29-V52 HydrophobicContact CD1-CG1 3.67Å; Q30-V52 CarbonylContact C-O 3.59Å; Q30-V52 PolarHBondContact N-O 2.89Å; V52-K61 HydrophobicContact CG1-CB 4.39Å; V52-V62 CarbonylContact C-O 3.55Å; V52-V62 VanDerWaalsContact CA-O 3.29Å; V52-V62 WeakPolarHBondContact CA-O 3.28Å; V52-L63 HydrophobicContact CG2-CB 4.49Å; V52-L63 HydrophobicContact CG2-CD1 3.79Å; V52-I81 HydrophobicContact CG1-CD1 3.71Å; V52-I81 HydrophobicContact CG2-CD1 4.42Å; V52-V104 HydrophobicContact CG2-CG2 4.27Å
53	R	94	Very high	90.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	173.5	179.1	70.6	-177.5	-173.2	90	-5.5	112.2	Q30 Q35 L51 K61 V62 C64 E78	Q30-R53 WeakPolarHBondContact O-CA 3.27Å; Q35-R53 VanDerWaalsContact CD-NH2 3.34Å; Q35-R53 VanDerWaalsContact OE1-NH2 3.11Å; L51-R53 HydrophobicContact CD1-CB 4Å; L51-R53 HydrophobicContact CD1-CG 4.46Å; R53-K61 CarbonylContact O-C 3.56Å; R53-K61 WeakPolarHBondContact O-CA 3.29Å; R53-V62 HydrophobicContact CG-CB 4.18Å; R53-V62 PolarHBondContact N-O 3.45Å; R53-V62 PolarHBondContact O-N 3.12Å; R53-C64 VanDerWaalsContact CD-SG 3.56Å; R53-C64 PolarHBondContact NE-SG 2.9Å; R53-C64 VanDerWaalsContact NE-SG 3.36Å; R53-E78 IonicContact CZ-OE1 2.72Å; R53-E78 VanDerWaalsContact CZ-OE1 3.24Å; R53-E78 IonicContact CZ-OE2 2.67Å; R53-E78 IonicContact NE-OE1 2.76Å; R53-E78 PolarHBondContact NE-OE1 3.43Å; R53-E78 IonicContact NH2-OE1 3.54Å; R53-E78 PolarHBondContact NH2-OE1 3.21Å; R53-E78 IonicContact NH2-OE2 2.75Å; R53-E78 PolarHBondContact NH2-OE2 2.71Å
54	K	91.6	Very high	90.4	Very high	87 Å²	87	38.8 Å²	38.8	38%	0.378	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.1	164.6	-154.6	-178.4	-170.2	-169.6	0	109.9	L31 Q59	L31-K54 HydrophobicContact CD2-CB 4.49Å; L31-K54 WeakPolarHBondContact O-CB 3.5Å; K54-Q59 WeakPolarHBondContact CE-O 3.27Å
55	C	88.8	Confident	90.8	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.047	20%	0.202	C	C	.	.			trans	-82.4	127.3	169.9	-171.6	0	0	0	0	109.4	S57 S58 Q59 R60 V62 F80	C55-S57 PolarHBondContact SG-OG 2.77Å; C55-S57 VanDerWaalsContact SG-OG 3.34Å; C55-S58 VanDerWaalsContact CB-OG 3.3Å; C55-S58 WeakPolarHBondContact CB-OG 3.4Å; C55-S58 PolarHBondContact SG-OG 3.26Å; C55-S58 VanDerWaalsContact SG-OG 3.4Å; C55-Q59 WeakPolarHBondContact O-CA 3.43Å; C55-Q59 PolarHBondContact O-N 2.76Å; C55-R60 PolarHBondContact N-O 2.81Å; C55-V62 HydrophobicContact CB-CG2 3.8Å; C55-F80 HydrophobicContact CB-CE1 4.27Å
56	S	83.9	Confident	91.1	Very high	101 Å²	101	34.3 Å²	34.3	71%	0.706	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-37.5	-179.1	47.7	0	0	0	0	113	Q59	S56-Q59 PolarHBondContact O-NE2 3.13Å
57	S	81.5	Confident	91.2	Very high	107 Å²	107	32.7 Å²	32.7	75%	0.748	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-43.1	-177.7	55.1	0	0	0	0	113.6	C55	C55-S57 PolarHBondContact SG-OG 2.77Å; C55-S57 VanDerWaalsContact SG-OG 3.34Å
58	S	84.1	Confident	91.2	Very high	53 Å²	53	32 Å²	32	37%	0.371	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-9.1	-178	68.5	0	0	0	0	114.6	C55 R60	C55-S58 VanDerWaalsContact CB-OG 3.3Å; C55-S58 WeakPolarHBondContact CB-OG 3.4Å; C55-S58 PolarHBondContact SG-OG 3.26Å; C55-S58 VanDerWaalsContact SG-OG 3.4Å; S58-R60 PolarHBondContact O-N 2.88Å
59	Q	87	Confident	90.8	Very high	107 Å²	107	35.9 Å²	35.9	50%	0.5	22%	0.215	S	C	.	.			trans	57.2	4	-173.3	-61.8	-67	-49.8	0	0	115.4	K54 C55 S56	K54-Q59 WeakPolarHBondContact CE-O 3.27Å; C55-Q59 WeakPolarHBondContact O-CA 3.43Å; C55-Q59 PolarHBondContact O-N 2.76Å; S56-Q59 PolarHBondContact O-NE2 3.13Å
60	R	89.6	Confident	90.5	Very high	77 Å²	77	39.4 Å²	39.4	29%	0.291	23%	0.234	S	C	.	.			trans	-75.4	157.3	174.8	-67	170.2	69.4	-168	8.8	111.3	C55 S58 F80 C82 E91	C55-R60 PolarHBondContact N-O 2.81Å; S58-R60 PolarHBondContact O-N 2.88Å; R60-F80 HydrophobicContact CB-CD1 4.32Å; R60-C82 PolarHBondContact NH2-SG 3.05Å; R60-E91 IonicContact CZ-OE1 3.79Å; R60-E91 IonicContact NH1-OE1 2.83Å; R60-E91 PolarHBondContact NH1-OE1 3.45Å; R60-E91 IonicContact NH2-OE1 2.9Å; R60-E91 PolarHBondContact NH2-OE1 3.21Å
61	K	93.9	Very high	89.8	Confident	39 Å²	39	48.9 Å²	48.9	17%	0.17	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	144.9	171.1	-63.3	159.4	-178.4	151.6	0	108.9	L31 V52 R53 I81 E83 F88 L100	L31-K61 HydrophobicContact CD2-CG 4.2Å; V52-K61 HydrophobicContact CG1-CB 4.39Å; R53-K61 CarbonylContact O-C 3.56Å; R53-K61 WeakPolarHBondContact O-CA 3.29Å; K61-I81 HydrophobicContact CB-CB 4.07Å; K61-I81 HydrophobicContact CB-CD1 3.97Å; K61-I81 WeakPolarHBondContact O-CB 3.45Å; K61-I81 PolarHBondContact O-N 2.72Å; K61-E83 WeakPolarHBondContact CE-OE2 3.21Å; K61-E83 IonicContact NZ-OE1 2.97Å; K61-E83 PolarHBondContact NZ-OE1 3.46Å; K61-E83 IonicContact NZ-OE2 2.74Å; K61-E83 PolarHBondContact NZ-OE2 2.91Å; K61-F88 HydrophobicContact CD-CE1 4.35Å; K61-L100 HydrophobicContact CD-CD1 3.99Å; K61-L100 HydrophobicContact CD-CD2 4.36Å
62	V	94.6	Very high	89.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.6	-175.5	-176.7	0	0	0	0	109.4	V52 R53 C55 E78 F80	V52-V62 CarbonylContact C-O 3.55Å; V52-V62 VanDerWaalsContact CA-O 3.29Å; V52-V62 WeakPolarHBondContact CA-O 3.28Å; R53-V62 HydrophobicContact CG-CB 4.18Å; R53-V62 PolarHBondContact N-O 3.45Å; R53-V62 PolarHBondContact O-N 3.12Å; C55-V62 HydrophobicContact CB-CG2 3.8Å; V62-E78 HydrophobicContact CG1-CB 3.81Å; V62-E78 HydrophobicContact CG1-CG 4.33Å; V62-F80 HydrophobicContact CG2-CD1 3.56Å; V62-F80 HydrophobicContact CG2-CE1 3.6Å; V62-F80 HydrophobicContact CG2-CG 4.46Å
63	L	95.8	Very high	88.5	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.9	168.7	176.4	66.8	0	0	0	108.7	F50 V52 E78 C79 I81 L90 L114 L118	F50-L63 HydrophobicContact CB-CD1 4.1Å; F50-L63 HydrophobicContact CD2-CD1 3.7Å; F50-L63 HydrophobicContact CG-CD1 4.21Å; V52-L63 HydrophobicContact CG2-CB 4.49Å; V52-L63 HydrophobicContact CG2-CD1 3.79Å; L63-E78 CarbonylContact O-C 3.57Å; L63-E78 WeakPolarHBondContact O-CA 3.41Å; L63-C79 HydrophobicContact CB-CB 4.45Å; L63-C79 PolarHBondContact N-O 3.26Å; L63-C79 PolarHBondContact O-N 3.31Å; L63-I81 HydrophobicContact CB-CD1 4.46Å; L63-L90 HydrophobicContact CB-CD2 4.25Å; L63-L90 HydrophobicContact CD2-CD1 4.04Å; L63-L90 HydrophobicContact CD2-CD2 4.09Å; L63-L114 HydrophobicContact CD2-CD1 4.16Å; L63-L114 HydrophobicContact CD2-CD2 4.31Å; L63-L118 HydrophobicContact CD1-CD1 4.14Å; L63-L118 HydrophobicContact CD2-CD1 4.14Å; L63-L118 HydrophobicContact CD2-CD2 4.39Å
64	C	94.6	Very high	87.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.2	175.2	-55.7	0	0	0	0	108.6	L42 F50 L51 R53 V76 E78	L42-C64 HydrophobicContact CD1-CB 3.56Å; F50-C64 CarbonylContact C-O 3.56Å; F50-C64 WeakPolarHBondContact CA-O 3.37Å; F50-C64 WeakPolarHBondContact CB-O 3.26Å; L51-C64 HydrophobicContact CD1-CB 4.12Å; L51-C64 HydrophobicContact CG-CB 4.4Å; L51-C64 PolarHBondContact N-O 3.16Å; L51-C64 PolarHBondContact O-N 2.88Å; R53-C64 VanDerWaalsContact CD-SG 3.56Å; R53-C64 PolarHBondContact NE-SG 2.9Å; R53-C64 VanDerWaalsContact NE-SG 3.36Å; C64-V76 HydrophobicContact CB-CG1 4.37Å; C64-E78 PolarHBondContact SG-OE1 2.87Å
65	L	94.6	Very high	87.7	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.6	-174.4	167.3	62.6	0	0	0	111.6	G48 F50 V67 V76 K77 L114 P115 F116 L118	G48-L65 WeakPolarHBondContact O-CD1 3.17Å; F50-L65 HydrophobicContact CB-CD1 4.37Å; L65-V67 HydrophobicContact CD2-CG2 4.07Å; L65-V67 HydrophobicContact CG-CG2 3.97Å; L65-V67 PolarHBondContact O-N 2.71Å; L65-V76 CarbonylContact O-C 3.49Å; L65-V76 VanDerWaalsContact O-CA 3.29Å; L65-V76 WeakPolarHBondContact O-CA 3.41Å; L65-K77 PolarHBondContact N-O 3.34Å; L65-K77 PolarHBondContact O-N 2.89Å; L65-L114 HydrophobicContact CD2-CB 4.39Å; L65-L114 HydrophobicContact CD2-CD1 4.43Å; L65-L114 HydrophobicContact CD2-CD2 4.39Å; L65-P115 HydrophobicContact CD2-CG 4.27Å; L65-F116 HydrophobicContact CD1-CE2 4.02Å; L65-F116 HydrophobicContact CD2-CE2 4.15Å; L65-F116 HydrophobicContact CG-CE2 4.4Å; L65-L118 HydrophobicContact CB-CD2 4.43Å; L65-L118 HydrophobicContact CD1-CD2 3.74Å; L65-L118 HydrophobicContact CD2-CD2 4.05Å; L65-L118 HydrophobicContact CG-CD2 4.27Å
66	R	93.9	Very high	87.8	Confident	8 Å²	8	55 Å²	55	3%	0.03	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	103.6	170.2	-173.9	62.3	155.9	140.7	-7.8	110.3	L42 L43 E45 V47 G48 T49 A68 D70	L42-R66 WeakPolarHBondContact O-CD 3.42Å; L42-R66 PolarHBondContact O-NE 3.23Å; L43-R66 PolarHBondContact O-NH2 3.38Å; E45-R66 PolarHBondContact O-NE 3.06Å; V47-R66 HydrophobicContact CG2-CG 4.48Å; G48-R66 PolarHBondContact N-O 3.5Å; T49-R66 WeakPolarHBondContact O-CB 3.37Å; T49-R66 PolarHBondContact O-N 3.31Å; R66-A68 VanDerWaalsContact CZ-O 3.25Å; R66-A68 PolarHBondContact NH1-O 2.98Å; R66-D70 PolarHBondContact NH1-O 3.13Å; R66-D70 PolarHBondContact NH2-O 3.24Å; R66-D70 VanDerWaalsContact NH2-O 3.09Å
67	V	90.6	Very high	88.2	Confident	43 Å²	43	54.1 Å²	54.1	26%	0.261	31%	0.311	S	S	.	.			trans	-94.4	-36.1	-173.3	172.9	0	0	0	0	114	V47 L65 S75 K77 P115	V47-V67 WeakPolarHBondContact CG1-O 3.49Å; L65-V67 HydrophobicContact CD2-CG2 4.07Å; L65-V67 HydrophobicContact CG-CG2 3.97Å; L65-V67 PolarHBondContact O-N 2.71Å; V67-S75 PolarHBondContact N-O 2.73Å; V67-K77 HydrophobicContact CG2-CB 3.46Å; V67-K77 VanDerWaalsContact CG2-CB 3.46Å; V67-P115 HydrophobicContact CG1-CG 4.03Å; V67-P115 HydrophobicContact CG2-CG 3.9Å
68	A	88.1	Confident	88.7	Confident	36 Å²	36	51.6 Å²	51.6	30%	0.298	29%	0.287	S	S	.	.			trans	-130.9	164.3	-179.2	0	0	0	0	0	111.2	R66 D70 S75	R66-A68 VanDerWaalsContact CZ-O 3.25Å; R66-A68 PolarHBondContact NH1-O 2.98Å; A68-D70 WeakPolarHBondContact CB-OD1 3.33Å; A68-S75 PolarHBondContact N-O 3.33Å
69	A	82.1	Confident	89.1	Confident	82 Å²	82	49.8 Å²	49.8	68%	0.678	27%	0.274	S	S	*	.	S	Bend	trans	-93.2	-10.1	-172.4	0	0	0	0	0	114.6	V47	V47-A69 HydrophobicContact CG2-CB 3.88Å
70	D	85.9	Confident	89.4	Confident	76 Å²	76	47.7 Å²	47.7	41%	0.406	26%	0.264	S	S	.	.	S	Bend	trans	-67.1	172.9	174.5	64.8	-55.9	0	0	0	111.4	R66 A68 S72 S75	R66-D70 PolarHBondContact NH1-O 3.13Å; R66-D70 PolarHBondContact NH2-O 3.24Å; R66-D70 VanDerWaalsContact NH2-O 3.09Å; A68-D70 WeakPolarHBondContact CB-OD1 3.33Å; D70-S72 WeakPolarHBondContact OD2-CB 3.48Å; D70-S72 PolarHBondContact OD2-N 3.37Å; D70-S72 PolarHBondContact OD2-OG 2.97Å; D70-S75 PolarHBondContact O-OG 3.22Å; D70-S75 PolarHBondContact OD1-OG 2.88Å; D70-S75 PolarHBondContact OD2-OG 3.17Å
71	R	80.4	Confident	89.6	Confident	198 Å²	198	44.2 Å²	44.2	75%	0.747	25%	0.251	S	S	*	.	S	Bend	trans	-103.9	30.5	-177.8	-68.3	-172.5	173.3	-161.9	-4.5	112.9
72	S	83.8	Confident	89.4	Confident	35 Å²	35	43.5 Å²	43.5	25%	0.245	25%	0.25	C	S	.	.	S	Bend	trans	-93.2	158.3	178.5	75.9	0	0	0	0	112.5	D70 S74 S75	D70-S72 WeakPolarHBondContact OD2-CB 3.48Å; D70-S72 PolarHBondContact OD2-N 3.37Å; D70-S72 PolarHBondContact OD2-OG 2.97Å; S72-S74 WeakPolarHBondContact CB-OG 3.46Å; S72-S74 PolarHBondContact O-N 3.23Å; S72-S74 PolarHBondContact OG-N 3.36Å; S72-S74 PolarHBondContact OG-OG 3.24Å; S72-S75 PolarHBondContact N-OG 2.69Å; S72-S75 VanDerWaalsContact O-CB 3.25Å; S72-S75 WeakPolarHBondContact O-CB 3.36Å; S72-S75 PolarHBondContact O-N 2.92Å; S72-S75 VanDerWaalsContact O-N 3.09Å; S72-S75 PolarHBondContact O-OG 3Å; S72-S75 PolarHBondContact OG-N 3.02Å; S72-S75 PolarHBondContact OG-OG 2.99Å; S72-S75 VanDerWaalsContact OG-OG 3.07Å
73	A	79.4	Confident	89.2	Confident	68 Å²	68	48.8 Å²	48.8	56%	0.562	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-62.5	-32.1	172.8	0	0	0	0	0	112.1	S75 V76	A73-S75 PolarHBondContact O-N 3.02Å; A73-V76 PolarHBondContact O-N 3.26Å
74	S	82.7	Confident	88.4	Confident	107 Å²	107	54.8 Å²	54.8	75%	0.748	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-63.4	-14.5	173.5	27.7	0	0	0	0	114.4	S72 V76	S72-S74 WeakPolarHBondContact CB-OG 3.46Å; S72-S74 PolarHBondContact O-N 3.23Å; S72-S74 PolarHBondContact OG-N 3.36Å; S72-S74 PolarHBondContact OG-OG 3.24Å; S74-V76 PolarHBondContact O-N 3.01Å
75	S	87.2	Confident	87.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-72.8	-7.4	175.1	-42.9	0	0	0	0	114.1	V67 A68 D70 S72 A73	V67-S75 PolarHBondContact N-O 2.73Å; A68-S75 PolarHBondContact N-O 3.33Å; D70-S75 PolarHBondContact O-OG 3.22Å; D70-S75 PolarHBondContact OD1-OG 2.88Å; D70-S75 PolarHBondContact OD2-OG 3.17Å; S72-S75 PolarHBondContact N-OG 2.69Å; S72-S75 VanDerWaalsContact O-CB 3.25Å; S72-S75 WeakPolarHBondContact O-CB 3.36Å; S72-S75 PolarHBondContact O-N 2.92Å; S72-S75 VanDerWaalsContact O-N 3.09Å; S72-S75 PolarHBondContact O-OG 3Å; S72-S75 PolarHBondContact OG-N 3.02Å; S72-S75 PolarHBondContact OG-OG 2.99Å; S72-S75 VanDerWaalsContact OG-OG 3.07Å; A73-S75 PolarHBondContact O-N 3.02Å
76	V	90.5	Very high	87	Confident	15 Å²	15	65.7 Å²	65.7	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123	177.8	178.6	0	0	0	0	109.5	L39 L42 C64 L65 A73 S74	L39-V76 HydrophobicContact CD2-CB 3.67Å; L39-V76 HydrophobicContact CD2-CG1 4Å; L39-V76 HydrophobicContact CD2-CG2 3.93Å; L42-V76 HydrophobicContact CB-CG2 4Å; L42-V76 HydrophobicContact CD1-CG1 3.79Å; C64-V76 HydrophobicContact CB-CG1 4.37Å; L65-V76 CarbonylContact O-C 3.49Å; L65-V76 VanDerWaalsContact O-CA 3.29Å; L65-V76 WeakPolarHBondContact O-CA 3.41Å; A73-V76 PolarHBondContact O-N 3.26Å; S74-V76 PolarHBondContact O-N 3.01Å
77	K	91.3	Very high	86.6	Confident	83 Å²	83	67.4 Å²	67.4	36%	0.361	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.9	173.5	-176.5	-175.7	-177.4	-170.6	0	109.2	L65 V67 C79 V113	L65-K77 PolarHBondContact N-O 3.34Å; L65-K77 PolarHBondContact O-N 2.89Å; V67-K77 HydrophobicContact CG2-CB 3.46Å; V67-K77 VanDerWaalsContact CG2-CB 3.46Å; K77-C79 VanDerWaalsContact CE-SG 3.58Å; K77-V113 PolarHBondContact NZ-O 3.37Å
78	E	93	Very high	86.5	Confident	53 Å²	53	66.5 Å²	66.5	25%	0.248	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.2	169.3	-59.2	-153.8	134.4	0	0	110.4	R53 V62 L63 C64	R53-E78 IonicContact CZ-OE1 2.72Å; R53-E78 VanDerWaalsContact CZ-OE1 3.24Å; R53-E78 IonicContact CZ-OE2 2.67Å; R53-E78 IonicContact NE-OE1 2.76Å; R53-E78 PolarHBondContact NE-OE1 3.43Å; R53-E78 IonicContact NH2-OE1 3.54Å; R53-E78 PolarHBondContact NH2-OE1 3.21Å; R53-E78 IonicContact NH2-OE2 2.75Å; R53-E78 PolarHBondContact NH2-OE2 2.71Å; V62-E78 HydrophobicContact CG1-CB 3.81Å; V62-E78 HydrophobicContact CG1-CG 4.33Å; L63-E78 CarbonylContact O-C 3.57Å; L63-E78 WeakPolarHBondContact O-CA 3.41Å; C64-E78 PolarHBondContact SG-OE1 2.87Å
79	C	92.6	Very high	86.7	Confident	16 Å²	16	65.6 Å²	65.6	11%	0.108	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	116.7	176.4	-69.1	0	0	0	0	108.7	L63 K77 L90	L63-C79 HydrophobicContact CB-CB 4.45Å; L63-C79 PolarHBondContact N-O 3.26Å; L63-C79 PolarHBondContact O-N 3.31Å; K77-C79 VanDerWaalsContact CE-SG 3.58Å; C79-L90 HydrophobicContact CB-CD1 4.26Å; C79-L90 HydrophobicContact CB-CD2 4.17Å
80	F	93.1	Very high	87.1	Confident	63 Å²	63	61.8 Å²	61.8	28%	0.276	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	142.7	177.5	-69.4	-82.7	0	0	0	111	C55 R60 V62 E91	C55-F80 HydrophobicContact CB-CE1 4.27Å; R60-F80 HydrophobicContact CB-CD1 4.32Å; V62-F80 HydrophobicContact CG2-CD1 3.56Å; V62-F80 HydrophobicContact CG2-CE1 3.6Å; V62-F80 HydrophobicContact CG2-CG 4.46Å; F80-E91 HydrophobicContact CB-CB 4.14Å; F80-E91 WeakPolarHBondContact CD2-OE2 3.3Å; F80-E91 WeakPolarHBondContact O-CB 3.22Å; F80-E91 PolarHBondContact O-N 3.47Å
81	I	94	Very high	87.1	Confident	4 Å²	4	63 Å²	63	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.5	172.8	-59.5	167.3	0	0	0	107.5	V52 K61 L63 F88 A89 L90 L100 L103	V52-I81 HydrophobicContact CG1-CD1 3.71Å; V52-I81 HydrophobicContact CG2-CD1 4.42Å; K61-I81 HydrophobicContact CB-CB 4.07Å; K61-I81 HydrophobicContact CB-CD1 3.97Å; K61-I81 WeakPolarHBondContact O-CB 3.45Å; K61-I81 PolarHBondContact O-N 2.72Å; L63-I81 HydrophobicContact CB-CD1 4.46Å; I81-F88 HydrophobicContact CG2-CB 4.32Å; I81-F88 HydrophobicContact CG2-CD1 4.03Å; I81-A89 CarbonylContact C-O 3.43Å; I81-A89 VanDerWaalsContact CA-O 3.26Å; I81-A89 WeakPolarHBondContact CA-O 2.99Å; I81-L90 HydrophobicContact CG1-CD2 3.8Å; I81-L100 HydrophobicContact CD1-CD2 4.08Å; I81-L100 HydrophobicContact CG2-CD2 4.14Å; I81-L103 HydrophobicContact CG2-CD1 4.38Å
82	C	90	Very high	87	Confident	24 Å²	24	58.2 Å²	58.2	16%	0.162	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	145.8	166.1	-62.7	0	0	0	0	109.8	R60 F88 A89	R60-C82 PolarHBondContact NH2-SG 3.05Å; C82-F88 WeakPolarHBondContact O-CA 3.44Å; C82-A89 PolarHBondContact N-O 2.54Å; C82-A89 PolarHBondContact O-N 3.47Å; C82-A89 VanDerWaalsContact O-N 3.09Å
83	E	88.9	Confident	87.2	Confident	110 Å²	110	57.6 Å²	57.6	51%	0.514	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	92.1	-179.3	-174	162.7	-166	0	0	107.3	K61 T87 F88	K61-E83 WeakPolarHBondContact CE-OE2 3.21Å; K61-E83 IonicContact NZ-OE1 2.97Å; K61-E83 PolarHBondContact NZ-OE1 3.46Å; K61-E83 IonicContact NZ-OE2 2.74Å; K61-E83 PolarHBondContact NZ-OE2 2.91Å; E83-T87 CarbonylContact C-O 3.58Å; E83-T87 WeakPolarHBondContact CA-O 3.13Å; E83-F88 HydrophobicContact CB-CD1 4.38Å; E83-F88 HydrophobicContact CB-CE1 4.26Å; E83-F88 HydrophobicContact CG-CD1 4.19Å; E83-F88 HydrophobicContact CG-CE1 3.65Å; E83-F88 HydrophobicContact CG-CZ 4.15Å; E83-F88 VanDerWaalsContact OE1-CE1 3.22Å; E83-F88 WeakPolarHBondContact OE1-CE1 3.42Å; E83-F88 VanDerWaalsContact OE1-CZ 3.31Å; E83-F88 WeakPolarHBondContact OE1-CZ 3.48Å
84	E	80.8	Confident	87.3	Confident	128 Å²	128	57.7 Å²	57.7	60%	0.598	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.3	-169	-70.6	178.8	-144.8	0	0	110.2	S86 T87	E84-S86 PolarHBondContact O-N 3.31Å; E84-S86 VanDerWaalsContact O-N 3.13Å; E84-T87 PolarHBondContact N-O 2.86Å; E84-T87 WeakPolarHBondContact O-CA 3.37Å; E84-T87 PolarHBondContact O-N 3.39Å; E84-T87 PolarHBondContact O-OG1 2.92Å
85	D	75.4	Confident	87.3	Confident	120 Å²	120	54.2 Å²	54.2	64%	0.642	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	38.8	-178.2	-62.5	-17.6	0	0	0	114.1	T87 K237	D85-T87 PolarHBondContact O-N 2.72Å; D85-K237 IonicContact OD1-NZ 3.21Å; D85-K237 WeakPolarHBondContact OD2-CE 3.48Å; D85-K237 IonicContact OD2-NZ 3.23Å; D85-K237 PolarHBondContact OD2-NZ 3.01Å
86	S	82.6	Confident	87.3	Confident	110 Å²	110	58 Å²	58	77%	0.769	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	28.1	-173	-56	0	0	0	0	114.8	E84	E84-S86 PolarHBondContact O-N 3.31Å; E84-S86 VanDerWaalsContact O-N 3.13Å
87	T	85.7	Confident	87.3	Confident	45 Å²	45	58.6 Å²	58.6	28%	0.276	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.4	173.6	70.5	0	0	0	0	112	E83 E84 D85 F97	E83-T87 CarbonylContact C-O 3.58Å; E83-T87 WeakPolarHBondContact CA-O 3.13Å; E84-T87 PolarHBondContact N-O 2.86Å; E84-T87 WeakPolarHBondContact O-CA 3.37Å; E84-T87 PolarHBondContact O-N 3.39Å; E84-T87 PolarHBondContact O-OG1 2.92Å; D85-T87 PolarHBondContact O-N 2.72Å; T87-F97 CarbonylContact C-O 3.56Å; T87-F97 VanDerWaalsContact CA-O 3.31Å; T87-F97 WeakPolarHBondContact CA-O 3.34Å; T87-F97 WeakPolarHBondContact CB-O 3.02Å
88	F	89.2	Confident	87.2	Confident	24 Å²	24	58.2 Å²	58.2	11%	0.105	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.7	-177.6	-61.6	-84.9	0	0	0	110.6	K61 I81 C82 E83 S96 F97 L100 L103	K61-F88 HydrophobicContact CD-CE1 4.35Å; I81-F88 HydrophobicContact CG2-CB 4.32Å; I81-F88 HydrophobicContact CG2-CD1 4.03Å; C82-F88 WeakPolarHBondContact O-CA 3.44Å; E83-F88 HydrophobicContact CB-CD1 4.38Å; E83-F88 HydrophobicContact CB-CE1 4.26Å; E83-F88 HydrophobicContact CG-CD1 4.19Å; E83-F88 HydrophobicContact CG-CE1 3.65Å; E83-F88 HydrophobicContact CG-CZ 4.15Å; E83-F88 VanDerWaalsContact OE1-CE1 3.22Å; E83-F88 WeakPolarHBondContact OE1-CE1 3.42Å; E83-F88 VanDerWaalsContact OE1-CZ 3.31Å; E83-F88 WeakPolarHBondContact OE1-CZ 3.48Å; F88-S96 CarbonylContact O-C 3.6Å; F88-S96 VanDerWaalsContact O-CA 3.3Å; F88-S96 WeakPolarHBondContact O-CA 3.41Å; F88-F97 PolarHBondContact N-O 3.01Å; F88-F97 PolarHBondContact O-N 3.36Å; F88-L100 HydrophobicContact CB-CD2 4.28Å; F88-L100 HydrophobicContact CD1-CD2 3.41Å; F88-L100 VanDerWaalsContact CD1-CD2 3.41Å; F88-L100 HydrophobicContact CD1-CG 3.82Å; F88-L100 HydrophobicContact CD2-CG 4.41Å; F88-L100 HydrophobicContact CE1-CD1 4.29Å; F88-L100 HydrophobicContact CE1-CD2 3.84Å; F88-L100 HydrophobicContact CE1-CG 3.83Å; F88-L100 HydrophobicContact CE2-CG 4.44Å; F88-L100 HydrophobicContact CG-CD2 3.84Å; F88-L100 HydrophobicContact CG-CG 4.11Å; F88-L100 HydrophobicContact CZ-CG 4.17Å; F88-L103 HydrophobicContact CB-CD1 3.79Å
89	A	91.4	Very high	87	Confident	16 Å²	16	57.7 Å²	57.7	13%	0.132	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.3	173.9	0	0	0	0	0	110.2	I81 C82 L95	I81-A89 CarbonylContact C-O 3.43Å; I81-A89 VanDerWaalsContact CA-O 3.26Å; I81-A89 WeakPolarHBondContact CA-O 2.99Å; C82-A89 PolarHBondContact N-O 2.54Å; C82-A89 PolarHBondContact O-N 3.47Å; C82-A89 VanDerWaalsContact O-N 3.09Å; A89-L95 VanDerWaalsContact CB-O 3.23Å; A89-L95 WeakPolarHBondContact CB-O 3.38Å
90	L	91.7	Very high	86.9	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	142.4	161.2	-65.9	-172.4	0	0	0	109.1	L63 C79 I81 S92 S93 L103 Y107 V113 L114	L63-L90 HydrophobicContact CB-CD2 4.25Å; L63-L90 HydrophobicContact CD2-CD1 4.04Å; L63-L90 HydrophobicContact CD2-CD2 4.09Å; C79-L90 HydrophobicContact CB-CD1 4.26Å; C79-L90 HydrophobicContact CB-CD2 4.17Å; I81-L90 HydrophobicContact CG1-CD2 3.8Å; L90-S92 PolarHBondContact O-N 2.88Å; L90-S93 WeakPolarHBondContact O-CB 3.25Å; L90-S93 PolarHBondContact O-N 2.87Å; L90-L103 HydrophobicContact CD2-CD2 4.37Å; L90-Y107 HydrophobicContact CD1-CD1 4.34Å; L90-Y107 HydrophobicContact CD1-CD2 4.22Å; L90-Y107 HydrophobicContact CD1-CE1 3.75Å; L90-Y107 HydrophobicContact CD1-CE2 3.67Å; L90-Y107 VanDerWaalsContact CD1-CZ 3.42Å; L90-Y107 HydrophobicContact CG-CD2 4.47Å; L90-Y107 HydrophobicContact CG-CE2 3.69Å; L90-V113 HydrophobicContact CB-CG2 4.02Å; L90-V113 HydrophobicContact CD1-CG2 3.78Å; L90-L114 HydrophobicContact CD1-CD2 3.88Å; L90-L114 HydrophobicContact CD1-CG 4.27Å
91	E	86.3	Confident	86.8	Confident	101 Å²	101	55.6 Å²	55.6	47%	0.472	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.8	-172.7	178.4	166.5	-109.3	0	0	114.9	R60 F80	R60-E91 IonicContact CZ-OE1 3.79Å; R60-E91 IonicContact NH1-OE1 2.83Å; R60-E91 PolarHBondContact NH1-OE1 3.45Å; R60-E91 IonicContact NH2-OE1 2.9Å; R60-E91 PolarHBondContact NH2-OE1 3.21Å; F80-E91 HydrophobicContact CB-CB 4.14Å; F80-E91 WeakPolarHBondContact CD2-OE2 3.3Å; F80-E91 WeakPolarHBondContact O-CB 3.22Å; F80-E91 PolarHBondContact O-N 3.47Å
92	S	78.3	Confident	86.6	Confident	99 Å²	99	61.4 Å²	61.4	69%	0.692	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-6.2	175.8	-47	0	0	0	0	114.2	L90 V113	L90-S92 PolarHBondContact O-N 2.88Å; S92-V113 WeakPolarHBondContact O-CG1 3.27Å
93	S	86.4	Confident	86.7	Confident	21 Å²	21	60.2 Å²	60.2	15%	0.147	34%	0.343	C	S	.	.			trans	-98.8	145.3	-169	-172.1	0	0	0	0	113.4	L90 L95 Y107 D112	L90-S93 WeakPolarHBondContact O-CB 3.25Å; L90-S93 PolarHBondContact O-N 2.87Å; S93-L95 VanDerWaalsContact C-N 3.26Å; S93-L95 PolarHBondContact O-N 2.92Å; S93-L95 WeakPolarHBondContact OG-CB 3.38Å; S93-L95 PolarHBondContact OG-N 3.38Å; S93-Y107 VanDerWaalsContact CB-OH 3.26Å; S93-Y107 WeakPolarHBondContact CB-OH 3.21Å; S93-Y107 PolarHBondContact OG-OH 2.92Å; S93-Y107 VanDerWaalsContact OG-OH 3.13Å; S93-D112 VanDerWaalsContact CB-OD2 3.25Å; S93-D112 WeakPolarHBondContact CB-OD2 3.39Å; S93-D112 PolarHBondContact OG-OD1 3.13Å; S93-D112 PolarHBondContact OG-OD2 2.91Å
94	A	81.6	Confident	86.9	Confident	71 Å²	71	55 Å²	55	59%	0.587	32%	0.318	S	S	*	.	S	Bend	trans	-90.8	23.2	171.2	0	0	0	0	0	113	R240	A94-R240 PolarHBondContact O-NH1 3.21Å
95	L	83.1	Confident	87.4	Confident	34 Å²	34	49.3 Å²	49.3	18%	0.178	29%	0.293	C	S	.	.			trans	-121.8	121.6	-177.6	-58.5	176.7	0	0	0	110.9	A89 S93 F97 F106 D112	A89-L95 VanDerWaalsContact CB-O 3.23Å; A89-L95 WeakPolarHBondContact CB-O 3.38Å; S93-L95 VanDerWaalsContact C-N 3.26Å; S93-L95 PolarHBondContact O-N 2.92Å; S93-L95 WeakPolarHBondContact OG-CB 3.38Å; S93-L95 PolarHBondContact OG-N 3.38Å; L95-F97 HydrophobicContact CB-CE2 3.78Å; L95-F97 HydrophobicContact CB-CZ 3.9Å; L95-F97 HydrophobicContact CD1-CZ 4.43Å; L95-F106 HydrophobicContact CD1-CD1 4.27Å; L95-F106 HydrophobicContact CD1-CE1 3.35Å; L95-F106 HydrophobicContact CD1-CE2 4.36Å; L95-F106 HydrophobicContact CD1-CZ 3.39Å; L95-D112 HydrophobicContact CD1-CB 4.16Å; L95-D112 WeakPolarHBondContact CD1-OD1 3.49Å
96	S	88.2	Confident	88.2	Confident	80 Å²	80	46.8 Å²	46.8	56%	0.559	28%	0.276	S	S	*	.			trans	-113.9	146.9	173.1	64.2	0	0	0	0	112.5	F88	F88-S96 CarbonylContact O-C 3.6Å; F88-S96 VanDerWaalsContact O-CA 3.3Å; F88-S96 WeakPolarHBondContact O-CA 3.41Å
97	F	90.3	Very high	88.5	Confident	27 Å²	27	41.5 Å²	41.5	12%	0.118	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-129.7	145.9	-172.4	-57.3	-88.8	0	0	0	109.8	T87 F88 L95 D99 R102 L103 F106 Y107	T87-F97 CarbonylContact C-O 3.56Å; T87-F97 VanDerWaalsContact CA-O 3.31Å; T87-F97 WeakPolarHBondContact CA-O 3.34Å; T87-F97 WeakPolarHBondContact CB-O 3.02Å; F88-F97 PolarHBondContact N-O 3.01Å; F88-F97 PolarHBondContact O-N 3.36Å; L95-F97 HydrophobicContact CB-CE2 3.78Å; L95-F97 HydrophobicContact CB-CZ 3.9Å; L95-F97 HydrophobicContact CD1-CZ 4.43Å; F97-D99 PolarHBondContact O-N 3.13Å; F97-R102 HydrophobicContact CB-CB 4.41Å; F97-R102 HydrophobicContact CD1-CB 4.41Å; F97-L103 HydrophobicContact CB-CB 4.02Å; F97-L103 HydrophobicContact CD2-CB 3.76Å; F97-L103 HydrophobicContact CD2-CD1 4.04Å; F97-L103 HydrophobicContact CD2-CG 3.83Å; F97-L103 HydrophobicContact CE2-CB 4.47Å; F97-L103 HydrophobicContact CE2-CG 4.25Å; F97-L103 HydrophobicContact CG-CB 3.93Å; F97-F106 HydrophobicContact CD1-CB 4.37Å; F97-F106 HydrophobicContact CE1-CB 3.46Å; F97-F106 VanDerWaalsContact CE1-CB 3.46Å; F97-F106 HydrophobicContact CE1-CD1 4.14Å; F97-F106 HydrophobicContact CE1-CD2 4.09Å; F97-F106 AromaticContact CE1-CG 3.63Å; F97-F106 HydrophobicContact CE1-CG 3.63Å; F97-F106 HydrophobicContact CE2-CD1 4.43Å; F97-F106 HydrophobicContact CZ-CB 3.68Å; F97-F106 AromaticContact CZ-CD1 3.51Å; F97-F106 HydrophobicContact CZ-CD1 3.51Å; F97-F106 HydrophobicContact CZ-CD2 4.19Å; F97-F106 HydrophobicContact CZ-CE1 4.19Å; F97-F106 AromaticContact CZ-CG 3.51Å; F97-F106 HydrophobicContact CZ-CG 3.51Å; F97-Y107 HydrophobicContact CE2-CE2 4.26Å
98	P	87.9	Confident	88.7	Confident	74 Å²	74	40.4 Å²	40.4	48%	0.481	23%	0.233	S	C	.	.	S	Bend	trans	-75.2	-12.6	-177.1	32.5	-37.2	0	0	0	113.6
99	D	90.6	Very high	88.6	Confident	42 Å²	42	45.3 Å²	45.3	23%	0.225	26%	0.259	C	S	.	.	S	Bend	trans	-154.3	158.5	178	64.2	75.9	0	0	0	111.1	F97 C101 R102 L103	F97-D99 PolarHBondContact O-N 3.13Å; D99-C101 VanDerWaalsContact C-N 3.29Å; D99-C101 PolarHBondContact O-N 3.37Å; D99-C101 WeakPolarHBondContact OD1-CA 3.39Å; D99-C101 WeakPolarHBondContact OD1-CB 3.41Å; D99-C101 PolarHBondContact OD1-N 3.07Å; D99-R102 PolarHBondContact O-N 2.9Å; D99-R102 WeakPolarHBondContact OD1-CG 3.42Å; D99-R102 PolarHBondContact OD1-N 3.32Å; D99-R102 VanDerWaalsContact OD2-CD 3.26Å; D99-R102 WeakPolarHBondContact OD2-CD 3.48Å; D99-R102 WeakPolarHBondContact OD2-CG 3.42Å; D99-R102 IonicContact OD2-CZ 3.69Å; D99-R102 IonicContact OD2-NE 3.62Å; D99-R102 PolarHBondContact OD2-NE 3.44Å; D99-R102 IonicContact OD2-NH2 2.74Å; D99-L103 PolarHBondContact O-N 2.86Å; D99-L103 VanDerWaalsContact O-N 3.17Å
100	L	90.3	Very high	88.2	Confident	18 Å²	18	46.5 Å²	46.5	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-32.7	-179.9	-69.7	168.4	0	0	0	113	L29 K61 I81 F88 R102 L103 V104	L29-L100 HydrophobicContact CD1-CD1 4.09Å; L29-L100 HydrophobicContact CD2-CD1 4.27Å; K61-L100 HydrophobicContact CD-CD1 3.99Å; K61-L100 HydrophobicContact CD-CD2 4.36Å; I81-L100 HydrophobicContact CD1-CD2 4.08Å; I81-L100 HydrophobicContact CG2-CD2 4.14Å; F88-L100 HydrophobicContact CB-CD2 4.28Å; F88-L100 HydrophobicContact CD1-CD2 3.41Å; F88-L100 VanDerWaalsContact CD1-CD2 3.41Å; F88-L100 HydrophobicContact CD1-CG 3.82Å; F88-L100 HydrophobicContact CD2-CG 4.41Å; F88-L100 HydrophobicContact CE1-CD1 4.29Å; F88-L100 HydrophobicContact CE1-CD2 3.84Å; F88-L100 HydrophobicContact CE1-CG 3.83Å; F88-L100 HydrophobicContact CE2-CG 4.44Å; F88-L100 HydrophobicContact CG-CD2 3.84Å; F88-L100 HydrophobicContact CG-CG 4.11Å; F88-L100 HydrophobicContact CZ-CG 4.17Å; L100-R102 VanDerWaalsContact C-N 3.35Å; L100-L103 PolarHBondContact O-N 3.1Å; L100-V104 WeakPolarHBondContact O-CG2 3.24Å; L100-V104 PolarHBondContact O-N 3.08Å
101	C	90.4	Very high	87.9	Confident	18 Å²	18	53.4 Å²	53.4	12%	0.122	29%	0.293	C	S	.	.	H	α-helix	trans	-68.2	-38.1	-177.9	-61	0	0	0	0	110.6	L18 L22 W28 D99 A105	L18-C101 HydrophobicContact CD1-CB 3.91Å; L22-C101 HydrophobicContact CD2-CB 3.8Å; L22-C101 HydrophobicContact CG-CB 4.18Å; W28-C101 HydrophobicContact CZ2-CB 4.49Å; D99-C101 VanDerWaalsContact C-N 3.29Å; D99-C101 PolarHBondContact O-N 3.37Å; D99-C101 WeakPolarHBondContact OD1-CA 3.39Å; D99-C101 WeakPolarHBondContact OD1-CB 3.41Å; D99-C101 PolarHBondContact OD1-N 3.07Å; C101-A105 WeakPolarHBondContact O-CB 3.39Å; C101-A105 PolarHBondContact O-N 3.25Å
102	R	89.1	Confident	88	Confident	125 Å²	125	50.9 Å²	50.9	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-71.9	-34.8	172.9	-69.9	-177.5	-145.8	-97	-4	113.5	L18 F97 D99 L100 F106	L18-R102 HydrophobicContact CD1-CG 4.01Å; L18-R102 HydrophobicContact CD2-CG 4.15Å; F97-R102 HydrophobicContact CB-CB 4.41Å; F97-R102 HydrophobicContact CD1-CB 4.41Å; D99-R102 PolarHBondContact O-N 2.9Å; D99-R102 WeakPolarHBondContact OD1-CG 3.42Å; D99-R102 PolarHBondContact OD1-N 3.32Å; D99-R102 VanDerWaalsContact OD2-CD 3.26Å; D99-R102 WeakPolarHBondContact OD2-CD 3.48Å; D99-R102 WeakPolarHBondContact OD2-CG 3.42Å; D99-R102 IonicContact OD2-CZ 3.69Å; D99-R102 IonicContact OD2-NE 3.62Å; D99-R102 PolarHBondContact OD2-NE 3.44Å; D99-R102 IonicContact OD2-NH2 2.74Å; L100-R102 VanDerWaalsContact C-N 3.35Å; R102-F106 WeakPolarHBondContact O-CB 3.44Å; R102-F106 PolarHBondContact O-N 2.86Å
103	L	93.4	Very high	88.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-56.7	171	-177.7	152.5	0	0	0	109.2	I81 F88 L90 F97 D99 L100 A105 F106 Y107	I81-L103 HydrophobicContact CG2-CD1 4.38Å; F88-L103 HydrophobicContact CB-CD1 3.79Å; L90-L103 HydrophobicContact CD2-CD2 4.37Å; F97-L103 HydrophobicContact CB-CB 4.02Å; F97-L103 HydrophobicContact CD2-CB 3.76Å; F97-L103 HydrophobicContact CD2-CD1 4.04Å; F97-L103 HydrophobicContact CD2-CG 3.83Å; F97-L103 HydrophobicContact CE2-CB 4.47Å; F97-L103 HydrophobicContact CE2-CG 4.25Å; F97-L103 HydrophobicContact CG-CB 3.93Å; D99-L103 PolarHBondContact O-N 2.86Å; D99-L103 VanDerWaalsContact O-N 3.17Å; L100-L103 PolarHBondContact O-N 3.1Å; L103-A105 PolarHBondContact O-N 2.94Å; L103-F106 PolarHBondContact O-N 2.7Å; L103-Y107 HydrophobicContact CD2-CD2 3.71Å; L103-Y107 HydrophobicContact CD2-CE2 3.96Å; L103-Y107 HydrophobicContact CG-CD2 4.01Å; L103-Y107 HydrophobicContact CG-CE2 3.95Å; L103-Y107 WeakPolarHBondContact O-CD2 3.48Å; L103-Y107 PolarHBondContact O-N 3.44Å
104	V	92	Very high	88.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-42.5	-179.6	176	0	0	0	0	111.3	L21 W28 F50 V52 L100 F106 Y107 C108 L118	L21-V104 HydrophobicContact CD1-CB 4.2Å; L21-V104 HydrophobicContact CD1-CG1 3.78Å; L21-V104 HydrophobicContact CD2-CB 4.5Å; L21-V104 HydrophobicContact CD2-CG1 3.6Å; L21-V104 HydrophobicContact CG-CG1 4.36Å; W28-V104 HydrophobicContact CE3-CG2 4.31Å; W28-V104 HydrophobicContact CH2-CG2 4.32Å; W28-V104 HydrophobicContact CZ3-CG2 3.85Å; F50-V104 HydrophobicContact CD2-CG1 4.4Å; F50-V104 HydrophobicContact CE1-CG1 4.37Å; F50-V104 HydrophobicContact CE2-CG1 3.38Å; F50-V104 HydrophobicContact CE2-CG2 4.46Å; F50-V104 HydrophobicContact CZ-CG1 3.36Å; V52-V104 HydrophobicContact CG2-CG2 4.27Å; L100-V104 WeakPolarHBondContact O-CG2 3.24Å; L100-V104 PolarHBondContact O-N 3.08Å; V104-F106 VanDerWaalsContact C-N 3.3Å; V104-F106 PolarHBondContact O-N 2.69Å; V104-Y107 CarbonylContact O-C 3.59Å; V104-Y107 PolarHBondContact O-N 2.81Å; V104-Y107 VanDerWaalsContact O-N 3.11Å; V104-C108 PolarHBondContact O-N 3.02Å; V104-C108 PolarHBondContact O-SG 3.38Å; V104-L118 HydrophobicContact CG1-CD1 4.15Å
105	A	91.1	Very high	88.7	Confident	9 Å²	9	46 Å²	46	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-35.9	177.6	0	0	0	0	0	113	V17 L18 L21 C101 L103 I109	V17-A105 HydrophobicContact CG1-CB 4.38Å; L18-A105 HydrophobicContact CB-CB 4.08Å; L18-A105 HydrophobicContact CD1-CB 3.92Å; L21-A105 VanDerWaalsContact CD1-CA 3.42Å; L21-A105 HydrophobicContact CD1-CB 3.64Å; C101-A105 WeakPolarHBondContact O-CB 3.39Å; C101-A105 PolarHBondContact O-N 3.25Å; L103-A105 PolarHBondContact O-N 2.94Å; A105-I109 WeakPolarHBondContact O-CD1 3.42Å; A105-I109 WeakPolarHBondContact O-CG1 3.46Å
106	F	91.6	Very high	89.1	Confident	66 Å²	66	47 Å²	47	29%	0.289	24%	0.244	S	C	.	.	H	α-helix	trans	-66.5	-46.6	172	174.8	-91.5	0	0	0	111.1	L95 F97 R102 L103 V104 C108 I109 S110 D112	L95-F106 HydrophobicContact CD1-CD1 4.27Å; L95-F106 HydrophobicContact CD1-CE1 3.35Å; L95-F106 HydrophobicContact CD1-CE2 4.36Å; L95-F106 HydrophobicContact CD1-CZ 3.39Å; F97-F106 HydrophobicContact CD1-CB 4.37Å; F97-F106 HydrophobicContact CE1-CB 3.46Å; F97-F106 VanDerWaalsContact CE1-CB 3.46Å; F97-F106 HydrophobicContact CE1-CD1 4.14Å; F97-F106 HydrophobicContact CE1-CD2 4.09Å; F97-F106 AromaticContact CE1-CG 3.63Å; F97-F106 HydrophobicContact CE1-CG 3.63Å; F97-F106 HydrophobicContact CE2-CD1 4.43Å; F97-F106 HydrophobicContact CZ-CB 3.68Å; F97-F106 AromaticContact CZ-CD1 3.51Å; F97-F106 HydrophobicContact CZ-CD1 3.51Å; F97-F106 HydrophobicContact CZ-CD2 4.19Å; F97-F106 HydrophobicContact CZ-CE1 4.19Å; F97-F106 AromaticContact CZ-CG 3.51Å; F97-F106 HydrophobicContact CZ-CG 3.51Å; R102-F106 WeakPolarHBondContact O-CB 3.44Å; R102-F106 PolarHBondContact O-N 2.86Å; L103-F106 PolarHBondContact O-N 2.7Å; V104-F106 VanDerWaalsContact C-N 3.3Å; V104-F106 PolarHBondContact O-N 2.69Å; F106-C108 PolarHBondContact O-N 3.19Å; F106-I109 CarbonylContact O-C 3.53Å; F106-I109 PolarHBondContact O-N 2.58Å; F106-S110 PolarHBondContact O-N 2.74Å; F106-D112 HydrophobicContact CE1-CB 3.98Å
107	Y	90.4	Very high	89.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-17.8	178.8	-77	-71.8	0	0	0	113.8	L90 S93 F97 L103 V104 I109 S110 R111 D112 V113 L114 P117 L118	L90-Y107 HydrophobicContact CD1-CD1 4.34Å; L90-Y107 HydrophobicContact CD1-CD2 4.22Å; L90-Y107 HydrophobicContact CD1-CE1 3.75Å; L90-Y107 HydrophobicContact CD1-CE2 3.67Å; L90-Y107 VanDerWaalsContact CD1-CZ 3.42Å; L90-Y107 HydrophobicContact CG-CD2 4.47Å; L90-Y107 HydrophobicContact CG-CE2 3.69Å; S93-Y107 VanDerWaalsContact CB-OH 3.26Å; S93-Y107 WeakPolarHBondContact CB-OH 3.21Å; S93-Y107 PolarHBondContact OG-OH 2.92Å; S93-Y107 VanDerWaalsContact OG-OH 3.13Å; F97-Y107 HydrophobicContact CE2-CE2 4.26Å; L103-Y107 HydrophobicContact CD2-CD2 3.71Å; L103-Y107 HydrophobicContact CD2-CE2 3.96Å; L103-Y107 HydrophobicContact CG-CD2 4.01Å; L103-Y107 HydrophobicContact CG-CE2 3.95Å; L103-Y107 WeakPolarHBondContact O-CD2 3.48Å; L103-Y107 PolarHBondContact O-N 3.44Å; V104-Y107 CarbonylContact O-C 3.59Å; V104-Y107 PolarHBondContact O-N 2.81Å; V104-Y107 VanDerWaalsContact O-N 3.11Å; Y107-I109 VanDerWaalsContact C-N 3.28Å; Y107-S110 CarbonylContact C-O 3.52Å; Y107-S110 VanDerWaalsContact CA-O 3.32Å; Y107-S110 WeakPolarHBondContact CA-O 3.39Å; Y107-R111 WeakPolarHBondContact CD1-O 3.34Å; Y107-R111 WeakPolarHBondContact CE1-O 3.48Å; Y107-D112 HydrophobicContact CD1-CB 4.45Å; Y107-D112 HydrophobicContact CE1-CB 3.66Å; Y107-D112 WeakPolarHBondContact CE1-OD2 3.39Å; Y107-D112 PolarHBondContact OH-OD2 3.29Å; Y107-V113 HydrophobicContact CE1-CG2 4.4Å; Y107-L114 HydrophobicContact CD1-CD1 3.48Å; Y107-L114 VanDerWaalsContact CD1-CD1 3.48Å; Y107-L114 HydrophobicContact CD1-CG 3.77Å; Y107-L114 HydrophobicContact CE1-CD1 4.24Å; Y107-L114 HydrophobicContact CE1-CG 4.07Å; Y107-L114 HydrophobicContact CG-CD1 3.9Å; Y107-P117 CarbonylContact O-C 3.53Å; Y107-P117 VanDerWaalsContact O-CA 3.27Å; Y107-P117 WeakPolarHBondContact O-CA 3.37Å; Y107-L118 PolarHBondContact O-N 2.88Å
108	C	89.3	Confident	89.4	Confident	21 Å²	21	44.4 Å²	44.4	14%	0.142	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.6	166.6	-74.5	0	0	0	0	114.2	V17 V104 F106 L118	V17-C108 HydrophobicContact CG1-CB 3.59Å; V104-C108 PolarHBondContact O-N 3.02Å; V104-C108 PolarHBondContact O-SG 3.38Å; F106-C108 PolarHBondContact O-N 3.19Å; C108-L118 VanDerWaalsContact CA-O 3.3Å; C108-L118 WeakPolarHBondContact CA-O 3.37Å; C108-L118 PolarHBondContact SG-O 3.05Å
109	I	86.3	Confident	89.7	Confident	127 Å²	127	45.9 Å²	45.9	65%	0.651	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	-33.1	-176.6	-62.2	169.2	0	0	0	111.1	A105 F106 Y107	A105-I109 WeakPolarHBondContact O-CD1 3.42Å; A105-I109 WeakPolarHBondContact O-CG1 3.46Å; F106-I109 CarbonylContact O-C 3.53Å; F106-I109 PolarHBondContact O-N 2.58Å; Y107-I109 VanDerWaalsContact C-N 3.28Å
110	S	84.8	Confident	89.6	Confident	42 Å²	42	45.2 Å²	45.2	29%	0.294	22%	0.224	S	C	.	.			trans	-126.2	148	-179	-177.1	0	0	0	0	110.6	F106 Y107	F106-S110 PolarHBondContact O-N 2.74Å; Y107-S110 CarbonylContact C-O 3.52Å; Y107-S110 VanDerWaalsContact CA-O 3.32Å; Y107-S110 WeakPolarHBondContact CA-O 3.39Å
111	R	84.4	Confident	89.6	Confident	147 Å²	147	44.5 Å²	44.5	56%	0.555	22%	0.221	S	C	*	.			trans	-78.6	-43.9	176.5	91.2	-179.3	85.8	-161.6	11.3	112.3	Y107 V113 L114 P115 P117	Y107-R111 WeakPolarHBondContact CD1-O 3.34Å; Y107-R111 WeakPolarHBondContact CE1-O 3.48Å; R111-V113 PolarHBondContact O-N 3.27Å; R111-V113 VanDerWaalsContact O-N 3.13Å; R111-L114 WeakPolarHBondContact CB-O 3.17Å; R111-L114 WeakPolarHBondContact CG-O 3.48Å; R111-L114 VanDerWaalsContact O-CB 3.26Å; R111-L114 WeakPolarHBondContact O-CB 3.05Å; R111-L114 PolarHBondContact O-N 2.82Å; R111-P115 PolarHBondContact NH1-O 3.46Å; R111-P117 HydrophobicContact CB-CG 4.4Å
112	D	88.3	Confident	89.3	Confident	47 Å²	47	49.8 Å²	49.8	25%	0.251	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.7	-115.6	-168.6	172	82.9	0	0	0	110.7	S93 L95 F106 Y107 L114	S93-D112 VanDerWaalsContact CB-OD2 3.25Å; S93-D112 WeakPolarHBondContact CB-OD2 3.39Å; S93-D112 PolarHBondContact OG-OD1 3.13Å; S93-D112 PolarHBondContact OG-OD2 2.91Å; L95-D112 HydrophobicContact CD1-CB 4.16Å; L95-D112 WeakPolarHBondContact CD1-OD1 3.49Å; F106-D112 HydrophobicContact CE1-CB 3.98Å; Y107-D112 HydrophobicContact CD1-CB 4.45Å; Y107-D112 HydrophobicContact CE1-CB 3.66Å; Y107-D112 WeakPolarHBondContact CE1-OD2 3.39Å; Y107-D112 PolarHBondContact OH-OD2 3.29Å; D112-L114 VanDerWaalsContact C-N 3.29Å; D112-L114 PolarHBondContact O-N 3.32Å
113	V	87.6	Confident	89.2	Confident	32 Å²	32	46 Å²	46	19%	0.194	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	5.6	179.8	-59.8	0	0	0	0	116	K77 L90 S92 Y107 R111	K77-V113 PolarHBondContact NZ-O 3.37Å; L90-V113 HydrophobicContact CB-CG2 4.02Å; L90-V113 HydrophobicContact CD1-CG2 3.78Å; S92-V113 WeakPolarHBondContact O-CG1 3.27Å; Y107-V113 HydrophobicContact CE1-CG2 4.4Å; R111-V113 PolarHBondContact O-N 3.27Å; R111-V113 VanDerWaalsContact O-N 3.13Å
114	L	88.6	Confident	89	Confident	5 Å²	5	46 Å²	46	3%	0.026	24%	0.24	C	C	.	.	S	Bend	trans	-94.2	150.3	174.6	-54.4	-178	0	0	0	110.6	L63 L65 L90 Y107 R111 D112 F116 L118	L63-L114 HydrophobicContact CD2-CD1 4.16Å; L63-L114 HydrophobicContact CD2-CD2 4.31Å; L65-L114 HydrophobicContact CD2-CB 4.39Å; L65-L114 HydrophobicContact CD2-CD1 4.43Å; L65-L114 HydrophobicContact CD2-CD2 4.39Å; L90-L114 HydrophobicContact CD1-CD2 3.88Å; L90-L114 HydrophobicContact CD1-CG 4.27Å; Y107-L114 HydrophobicContact CD1-CD1 3.48Å; Y107-L114 VanDerWaalsContact CD1-CD1 3.48Å; Y107-L114 HydrophobicContact CD1-CG 3.77Å; Y107-L114 HydrophobicContact CE1-CD1 4.24Å; Y107-L114 HydrophobicContact CE1-CG 4.07Å; Y107-L114 HydrophobicContact CG-CD1 3.9Å; R111-L114 WeakPolarHBondContact CB-O 3.17Å; R111-L114 WeakPolarHBondContact CG-O 3.48Å; R111-L114 VanDerWaalsContact O-CB 3.26Å; R111-L114 WeakPolarHBondContact O-CB 3.05Å; R111-L114 PolarHBondContact O-N 2.82Å; D112-L114 VanDerWaalsContact C-N 3.29Å; D112-L114 PolarHBondContact O-N 3.32Å; L114-F116 WeakPolarHBondContact CB-O 3.39Å; L114-F116 PolarHBondContact O-N 2.99Å; L114-L118 HydrophobicContact CD1-CD1 4.35Å; L114-L118 HydrophobicContact CD1-CD2 3.56Å; L114-L118 HydrophobicContact CD1-CG 3.74Å
115	P	85.6	Confident	88.8	Confident	51 Å²	51	48.4 Å²	48.4	33%	0.331	26%	0.259	S	S	.	.	S	Bend	trans	-59.9	-31.7	179.4	24.2	-33.8	0	0	0	112.7	L65 V67 R111	L65-P115 HydrophobicContact CD2-CG 4.27Å; V67-P115 HydrophobicContact CG1-CG 4.03Å; V67-P115 HydrophobicContact CG2-CG 3.9Å; R111-P115 PolarHBondContact NH1-O 3.46Å
116	F	90.3	Very high	88.6	Confident	55 Å²	55	54.2 Å²	54.2	24%	0.241	28%	0.283	C	S	.	.	S	Bend	trans	-155.3	165.7	177.8	43.2	-111.1	0	0	0	109.6	V47 L65 L114	V47-F116 HydrophobicContact CG1-CE1 3.86Å; V47-F116 HydrophobicContact CG1-CE2 4.25Å; V47-F116 HydrophobicContact CG1-CZ 3.39Å; L65-F116 HydrophobicContact CD1-CE2 4.02Å; L65-F116 HydrophobicContact CD2-CE2 4.15Å; L65-F116 HydrophobicContact CG-CE2 4.4Å; L114-F116 WeakPolarHBondContact CB-O 3.39Å; L114-F116 PolarHBondContact O-N 2.99Å
117	P	92.4	Very high	88.4	Confident	49 Å²	49	51.3 Å²	51.3	32%	0.318	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-62.3	147	175.6	-20.7	33.3	0	0	0	113	Y107 R111	Y107-P117 CarbonylContact O-C 3.53Å; Y107-P117 VanDerWaalsContact O-CA 3.27Å; Y107-P117 WeakPolarHBondContact O-CA 3.37Å; R111-P117 HydrophobicContact CB-CG 4.4Å
118	L	93.8	Very high	88.1	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-64	135.9	175.2	-61.3	-178.9	0	0	0	111.4	F50 L63 L65 V104 Y107 C108 L114	F50-L118 HydrophobicContact CB-CD2 3.91Å; F50-L118 HydrophobicContact CD1-CB 3.69Å; F50-L118 HydrophobicContact CD1-CD1 4.13Å; F50-L118 HydrophobicContact CD1-CD2 4.14Å; F50-L118 HydrophobicContact CD1-CG 4.2Å; F50-L118 HydrophobicContact CD2-CD1 4.16Å; F50-L118 HydrophobicContact CE1-CB 3.91Å; F50-L118 HydrophobicContact CE1-CD1 4.33Å; F50-L118 HydrophobicContact CE2-CD1 4.39Å; F50-L118 HydrophobicContact CG-CB 4.35Å; F50-L118 HydrophobicContact CG-CD1 4.04Å; F50-L118 HydrophobicContact CG-CD2 4.03Å; F50-L118 HydrophobicContact CG-CG 4.37Å; F50-L118 HydrophobicContact CZ-CD1 4.47Å; L63-L118 HydrophobicContact CD1-CD1 4.14Å; L63-L118 HydrophobicContact CD2-CD1 4.14Å; L63-L118 HydrophobicContact CD2-CD2 4.39Å; L65-L118 HydrophobicContact CB-CD2 4.43Å; L65-L118 HydrophobicContact CD1-CD2 3.74Å; L65-L118 HydrophobicContact CD2-CD2 4.05Å; L65-L118 HydrophobicContact CG-CD2 4.27Å; V104-L118 HydrophobicContact CG1-CD1 4.15Å; Y107-L118 PolarHBondContact O-N 2.88Å; C108-L118 VanDerWaalsContact CA-O 3.3Å; C108-L118 WeakPolarHBondContact CA-O 3.37Å; C108-L118 PolarHBondContact SG-O 3.05Å; L114-L118 HydrophobicContact CD1-CD1 4.35Å; L114-L118 HydrophobicContact CD1-CD2 3.56Å; L114-L118 HydrophobicContact CD1-CG 3.74Å
119	Q	92.7	Very high	88	Confident	104 Å²	104	57.2 Å²	57.2	49%	0.486	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-101.8	132.6	174.1	-61	-176.4	26.9	0	0	110.1	V47 G48 F50	V47-Q119 PolarHBondContact O-NE2 3.39Å; G48-Q119 PolarHBondContact O-N 3.14Å; F50-Q119 WeakPolarHBondContact CD1-O 3.34Å; F50-Q119 WeakPolarHBondContact CE1-O 3.15Å
120	L	90.2	Very high	88.1	Confident	28 Å²	28	55.2 Å²	55.2	15%	0.147	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.8	138.7	169.2	-65.2	176.3	0	0	0	109.2	V17 R20 L21 F50 I124 A125	V17-L120 HydrophobicContact CG1-CD1 4.37Å; R20-L120 HydrophobicContact CB-CD1 4.24Å; L21-L120 HydrophobicContact CD2-CD2 3.52Å; L21-L120 HydrophobicContact CG-CD2 3.9Å; F50-L120 HydrophobicContact CE1-CD2 4.37Å; F50-L120 HydrophobicContact CZ-CD2 4.35Å; L120-I124 HydrophobicContact CB-CG2 4.43Å; L120-I124 HydrophobicContact CD1-CG2 4.3Å; L120-I124 HydrophobicContact CD2-CG2 4.5Å; L120-A125 HydrophobicContact CB-CB 4.37Å
121	P	89.3	Confident	88.2	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.026	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-49.1	142	170.7	-29.7	35.7	0	0	0	112.1	T49 A123 I124 A125 F143 W144	T49-P121 HydrophobicContact CG2-CG 4.22Å; P121-A123 VanDerWaalsContact C-N 3.26Å; P121-A123 PolarHBondContact O-N 3.29Å; P121-A123 VanDerWaalsContact O-N 3.09Å; P121-I124 HydrophobicContact CB-CD1 4.18Å; P121-I124 HydrophobicContact CB-CG1 4.5Å; P121-I124 HydrophobicContact CG-CD1 4.07Å; P121-I124 WeakPolarHBondContact O-CA 3.29Å; P121-I124 WeakPolarHBondContact O-CB 3.4Å; P121-I124 PolarHBondContact O-N 2.91Å; P121-A125 PolarHBondContact O-N 3.03Å; P121-F143 HydrophobicContact CB-CE1 3.78Å; P121-F143 HydrophobicContact CB-CZ 3.7Å; P121-F143 HydrophobicContact CG-CE1 4.2Å; P121-F143 HydrophobicContact CG-CZ 4.5Å; P121-W144 HydrophobicContact CB-CH2 4.5Å; P121-W144 HydrophobicContact CG-CH2 3.58Å; P121-W144 HydrophobicContact CG-CZ2 4.37Å; P121-W144 HydrophobicContact CG-CZ3 4.16Å
122	E	84.3	Confident	88.4	Confident	129 Å²	129	60.1 Å²	60.1	60%	0.603	31%	0.31	S	S	*	.	H	α-helix	trans	-58.7	-35.7	-163.3	-157.7	-168.3	-151.3	0	0	113.3	A125 K126	E122-A125 PolarHBondContact O-N 3.22Å; E122-K126 HydrophobicContact CG-CD 3.97Å; E122-K126 HydrophobicContact CG-CG 4.32Å; E122-K126 WeakPolarHBondContact O-CB 3.39Å; E122-K126 WeakPolarHBondContact O-CG 3.39Å; E122-K126 PolarHBondContact O-N 3.37Å; E122-K126 WeakPolarHBondContact OE1-CE 3.49Å; E122-K126 IonicContact OE1-NZ 3.8Å; E122-K126 PolarHBondContact OE1-NZ 2.9Å; E122-K126 IonicContact OE2-NZ 3.41Å; E122-K126 PolarHBondContact OE2-NZ 3.39Å
123	A	86.3	Confident	88.4	Confident	45 Å²	45	57.9 Å²	57.9	37%	0.372	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-41	174.5	0	0	0	0	0	113.1	P121 A125 A127 I136 F143	P121-A123 VanDerWaalsContact C-N 3.26Å; P121-A123 PolarHBondContact O-N 3.29Å; P121-A123 VanDerWaalsContact O-N 3.09Å; A123-A125 VanDerWaalsContact C-N 3.35Å; A123-A127 PolarHBondContact O-N 2.95Å; A123-A127 VanDerWaalsContact O-N 3.11Å; A123-I136 HydrophobicContact CB-CD1 4.01Å; A123-F143 HydrophobicContact CB-CE2 3.98Å; A123-F143 HydrophobicContact CB-CZ 4.2Å
124	I	89.6	Confident	88.5	Confident	1 Å²	1	60 Å²	60	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-71.2	-33.7	177.9	-60.1	170.9	0	0	0	110.4	R20 T24 V27 L120 P121 L133 I136 F143	R20-I124 HydrophobicContact CB-CG2 4.18Å; R20-I124 PolarHBondContact NH1-O 3.06Å; T24-I124 HydrophobicContact CG2-CD1 4.44Å; T24-I124 HydrophobicContact CG2-CG1 4.19Å; T24-I124 HydrophobicContact CG2-CG2 4.13Å; V27-I124 HydrophobicContact CB-CD1 4.43Å; V27-I124 HydrophobicContact CG1-CD1 4.09Å; L120-I124 HydrophobicContact CB-CG2 4.43Å; L120-I124 HydrophobicContact CD1-CG2 4.3Å; L120-I124 HydrophobicContact CD2-CG2 4.5Å; P121-I124 HydrophobicContact CB-CD1 4.18Å; P121-I124 HydrophobicContact CB-CG1 4.5Å; P121-I124 HydrophobicContact CG-CD1 4.07Å; P121-I124 WeakPolarHBondContact O-CA 3.29Å; P121-I124 WeakPolarHBondContact O-CB 3.4Å; P121-I124 PolarHBondContact O-N 2.91Å; I124-L133 HydrophobicContact CG2-CD2 4.3Å; I124-I136 HydrophobicContact CD1-CG2 4.27Å; I124-I136 HydrophobicContact CG1-CG2 3.75Å; I124-F143 HydrophobicContact CD1-CZ 4.47Å
125	A	87.8	Confident	88.5	Confident	49 Å²	49	62.5 Å²	62.5	41%	0.405	33%	0.327	S	S	.	.	H	α-helix	trans	-71.1	-43.6	174.7	0	0	0	0	0	112.6	R20 L120 P121 E122 A123	R20-A125 PolarHBondContact NH1-O 3.38Å; L120-A125 HydrophobicContact CB-CB 4.37Å; P121-A125 PolarHBondContact O-N 3.03Å; E122-A125 PolarHBondContact O-N 3.22Å; A123-A125 VanDerWaalsContact C-N 3.35Å
126	K	86.3	Confident	88.7	Confident	132 Å²	132	61 Å²	61	57%	0.574	32%	0.316	S	S	*	.	H	α-helix	trans	-78.9	-19.6	-176.4	-75.4	179.2	177.9	166.3	0	114.9	E122 T128	E122-K126 HydrophobicContact CG-CD 3.97Å; E122-K126 HydrophobicContact CG-CG 4.32Å; E122-K126 WeakPolarHBondContact O-CB 3.39Å; E122-K126 WeakPolarHBondContact O-CG 3.39Å; E122-K126 PolarHBondContact O-N 3.37Å; E122-K126 WeakPolarHBondContact OE1-CE 3.49Å; E122-K126 IonicContact OE1-NZ 3.8Å; E122-K126 PolarHBondContact OE1-NZ 2.9Å; E122-K126 IonicContact OE2-NZ 3.41Å; E122-K126 PolarHBondContact OE2-NZ 3.39Å; K126-T128 PolarHBondContact O-N 3.05Å
127	A	87.6	Confident	88.6	Confident	5 Å²	5	59.4 Å²	59.4	4%	0.041	31%	0.312	C	S	.	.			trans	-56.8	130.1	178.8	0	0	0	0	0	111.8	R20 A123 Q132 L133 I136	R20-A127 VanDerWaalsContact CZ-O 3.31Å; R20-A127 PolarHBondContact NH1-O 3.47Å; R20-A127 PolarHBondContact NH2-O 3.32Å; A123-A127 PolarHBondContact O-N 2.95Å; A123-A127 VanDerWaalsContact O-N 3.11Å; A127-Q132 HydrophobicContact CB-CB 3.88Å; A127-L133 HydrophobicContact CB-CD2 3.66Å; A127-L133 HydrophobicContact CB-CG 3.89Å; A127-I136 HydrophobicContact CB-CD1 4.39Å
128	T	85.2	Confident	88.5	Confident	92 Å²	92	65 Å²	65	56%	0.564	33%	0.333	S	S	*	.			trans	-108.4	-13.5	180	53.1	0	0	0	0	113	K126 Q132	K126-T128 PolarHBondContact O-N 3.05Å; T128-Q132 PolarHBondContact OG1-OE1 3.46Å
129	T	86.6	Confident	88.2	Confident	53 Å²	53	68.6 Å²	68.6	33%	0.325	35%	0.351	S	S	.	.	S	Bend	trans	-125.5	153.5	-175.6	64	0	0	0	0	112.4	R131 Q132 L133	T129-R131 VanDerWaalsContact C-N 3.33Å; T129-R131 PolarHBondContact O-N 2.78Å; T129-Q132 PolarHBondContact O-N 3.37Å; T129-Q132 VanDerWaalsContact OG1-CG 3.27Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.32Å; T129-Q132 PolarHBondContact OG1-OE1 3.1Å; T129-L133 PolarHBondContact O-N 3.41Å
130	H	88.1	Confident	87.9	Confident	84 Å²	84	64.2 Å²	64.2	39%	0.389	33%	0.334	S	S	.	.	H	α-helix	trans	-56.6	-46.7	177.3	-163.3	-91.5	0	0	0	111.6	F15 Q132 L133 E134	F15-H130 HydrophobicContact CZ-CB 3.95Å; H130-Q132 PolarHBondContact O-N 3.04Å; H130-L133 PolarHBondContact O-N 2.8Å; H130-E134 IonicContact CE1-OE1 3.24Å; H130-E134 PolarHBondContact CE1-OE1 2.88Å; H130-E134 VanDerWaalsContact CE1-OE1 3.23Å; H130-E134 IonicContact CE1-OE2 2.76Å; H130-E134 IonicContact CG-OE2 2.66Å; H130-E134 IonicContact ND1-OE1 3.9Å; H130-E134 PolarHBondContact ND1-OE1 3.17Å; H130-E134 IonicContact ND1-OE2 2.86Å; H130-E134 PolarHBondContact ND1-OE2 3.25Å; H130-E134 PolarHBondContact O-N 3.29Å
131	R	87.6	Confident	87.5	Confident	208 Å²	208	67.5 Å²	67.5	79%	0.785	35%	0.349	S	S	*	.	H	α-helix	trans	-57.7	-32.1	179.2	-66.4	-178.8	-178.8	164.7	0.2	113.8	T129 E134 A135	T129-R131 VanDerWaalsContact C-N 3.33Å; T129-R131 PolarHBondContact O-N 2.78Å; R131-E134 VanDerWaalsContact CA-OE2 3.32Å; R131-E134 WeakPolarHBondContact CA-OE2 3.38Å; R131-E134 PolarHBondContact N-OE2 3.18Å; R131-A135 VanDerWaalsContact O-CB 3.28Å; R131-A135 WeakPolarHBondContact O-CB 3.18Å; R131-A135 PolarHBondContact O-N 3.05Å
132	Q	88.6	Confident	87.3	Confident	85 Å²	85	72.7 Å²	72.7	40%	0.397	38%	0.376	S	S	.	.	H	α-helix	trans	-71.4	-41.3	174.4	-74.6	162.1	-28.9	0	0	111.7	A127 T128 T129 H130 A135 I136	A127-Q132 HydrophobicContact CB-CB 3.88Å; T128-Q132 PolarHBondContact OG1-OE1 3.46Å; T129-Q132 PolarHBondContact O-N 3.37Å; T129-Q132 VanDerWaalsContact OG1-CG 3.27Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.32Å; T129-Q132 PolarHBondContact OG1-OE1 3.1Å; H130-Q132 PolarHBondContact O-N 3.04Å; Q132-A135 PolarHBondContact O-N 2.96Å; Q132-I136 WeakPolarHBondContact O-CB 3.44Å; Q132-I136 WeakPolarHBondContact O-CD1 3.38Å; Q132-I136 VanDerWaalsContact O-CG1 3.24Å; Q132-I136 WeakPolarHBondContact O-CG1 3.49Å; Q132-I136 PolarHBondContact O-N 3.14Å
133	L	89.1	Confident	87.5	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-68.1	-38	176.3	-67.1	170.4	0	0	0	111.4	F15 R20 L23 T24 I124 A127 T129 H130 I136 S137	F15-L133 HydrophobicContact CB-CD1 4.49Å; F15-L133 HydrophobicContact CD1-CD1 4.08Å; F15-L133 HydrophobicContact CD2-CD1 4.34Å; F15-L133 HydrophobicContact CE1-CD1 4.43Å; F15-L133 HydrophobicContact CG-CD1 4.05Å; R20-L133 HydrophobicContact CG-CD1 4.15Å; R20-L133 HydrophobicContact CG-CD2 4.33Å; L23-L133 HydrophobicContact CB-CB 4.17Å; L23-L133 HydrophobicContact CD1-CB 4.12Å; L23-L133 HydrophobicContact CD1-CD1 3.74Å; T24-L133 HydrophobicContact CG2-CB 4.24Å; T24-L133 HydrophobicContact CG2-CD2 3.8Å; I124-L133 HydrophobicContact CG2-CD2 4.3Å; A127-L133 HydrophobicContact CB-CD2 3.66Å; A127-L133 HydrophobicContact CB-CG 3.89Å; T129-L133 PolarHBondContact O-N 3.41Å; H130-L133 PolarHBondContact O-N 2.8Å; L133-I136 PolarHBondContact O-N 3.21Å; L133-S137 WeakPolarHBondContact O-CB 3.33Å; L133-S137 PolarHBondContact O-N 2.91Å
134	E	89.8	Confident	87.4	Confident	75 Å²	75	66.5 Å²	66.5	35%	0.35	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-48.9	171.5	-71.1	169.2	125.8	0	0	111.6	H130 R131 I136 S137 H138	H130-E134 IonicContact CE1-OE1 3.24Å; H130-E134 PolarHBondContact CE1-OE1 2.88Å; H130-E134 VanDerWaalsContact CE1-OE1 3.23Å; H130-E134 IonicContact CE1-OE2 2.76Å; H130-E134 IonicContact CG-OE2 2.66Å; H130-E134 IonicContact ND1-OE1 3.9Å; H130-E134 PolarHBondContact ND1-OE1 3.17Å; H130-E134 IonicContact ND1-OE2 2.86Å; H130-E134 PolarHBondContact ND1-OE2 3.25Å; H130-E134 PolarHBondContact O-N 3.29Å; R131-E134 VanDerWaalsContact CA-OE2 3.32Å; R131-E134 WeakPolarHBondContact CA-OE2 3.38Å; R131-E134 PolarHBondContact N-OE2 3.18Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 2.81Å; E134-S137 WeakPolarHBondContact O-CB 3.38Å; E134-S137 PolarHBondContact O-N 2.64Å; E134-S137 VanDerWaalsContact O-N 3.11Å; E134-H138 PolarHBondContact O-CD2 2.89Å; E134-H138 PolarHBondContact O-N 2.74Å
135	A	88.6	Confident	86.8	Confident	58 Å²	58	70.3 Å²	70.3	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-59	-42.5	177.2	0	0	0	0	0	112.2	R131 Q132 H138 M139	R131-A135 VanDerWaalsContact O-CB 3.28Å; R131-A135 WeakPolarHBondContact O-CB 3.18Å; R131-A135 PolarHBondContact O-N 3.05Å; Q132-A135 PolarHBondContact O-N 2.96Å; A135-H138 PolarHBondContact O-N 3.34Å; A135-M139 PolarHBondContact O-N 3.05Å
136	I	88.8	Confident	85.6	Confident	19 Å²	19	70.2 Å²	70.2	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-42	174	-68.7	162.4	0	0	0	111	T24 V27 A123 I124 A127 Q132 L133 E134 H138 M139 F143	T24-I136 HydrophobicContact CG2-CG2 4.17Å; V27-I136 HydrophobicContact CG2-CG2 4.05Å; V27-I136 VanDerWaalsContact CG2-O 3.27Å; V27-I136 WeakPolarHBondContact CG2-O 3.38Å; A123-I136 HydrophobicContact CB-CD1 4.01Å; I124-I136 HydrophobicContact CD1-CG2 4.27Å; I124-I136 HydrophobicContact CG1-CG2 3.75Å; A127-I136 HydrophobicContact CB-CD1 4.39Å; Q132-I136 WeakPolarHBondContact O-CB 3.44Å; Q132-I136 WeakPolarHBondContact O-CD1 3.38Å; Q132-I136 VanDerWaalsContact O-CG1 3.24Å; Q132-I136 WeakPolarHBondContact O-CG1 3.49Å; Q132-I136 PolarHBondContact O-N 3.14Å; L133-I136 PolarHBondContact O-N 3.21Å; E134-I136 VanDerWaalsContact C-N 3.32Å; E134-I136 PolarHBondContact O-N 2.81Å; I136-H138 VanDerWaalsContact C-N 3.3Å; I136-H138 PolarHBondContact O-N 3.37Å; I136-M139 WeakPolarHBondContact O-CB 3.5Å; I136-M139 PolarHBondContact O-N 3.22Å; I136-M139 VanDerWaalsContact O-N 3.1Å; I136-F143 HydrophobicContact CG2-CD2 3.82Å; I136-F143 HydrophobicContact CG2-CE2 3.76Å
137	S	89.3	Confident	84	Confident	23 Å²	23	68.8 Å²	68.8	16%	0.161	37%	0.369	C	S	.	.	H	α-helix	trans	-59.8	-38.9	176.2	-176.7	0	0	0	0	112.6	L23 P26 L133 E134 M139 G140	L23-S137 VanDerWaalsContact O-CB 3.24Å; L23-S137 WeakPolarHBondContact O-CB 3.34Å; L23-S137 PolarHBondContact O-OG 3.11Å; L23-S137 VanDerWaalsContact O-OG 3.05Å; P26-S137 WeakPolarHBondContact CD-OG 3.44Å; P26-S137 WeakPolarHBondContact CG-OG 3.48Å; L133-S137 WeakPolarHBondContact O-CB 3.33Å; L133-S137 PolarHBondContact O-N 2.91Å; E134-S137 WeakPolarHBondContact O-CB 3.38Å; E134-S137 PolarHBondContact O-N 2.64Å; E134-S137 VanDerWaalsContact O-N 3.11Å; S137-M139 PolarHBondContact O-N 2.86Å; S137-G140 PolarHBondContact O-N 2.93Å; S137-G140 VanDerWaalsContact O-N 3.16Å
138	H	89	Confident	82.1	Confident	166 Å²	166	70.2 Å²	70.2	77%	0.769	38%	0.378	S	S	*	.	H	α-helix	trans	-67	-18.8	176.6	-74.9	-61.9	0	0	0	114	E134 A135 I136 G140	E134-H138 PolarHBondContact O-CD2 2.89Å; E134-H138 PolarHBondContact O-N 2.74Å; A135-H138 PolarHBondContact O-N 3.34Å; I136-H138 VanDerWaalsContact C-N 3.3Å; I136-H138 PolarHBondContact O-N 3.37Å; H138-G140 VanDerWaalsContact C-N 3.33Å
139	M	86.8	Confident	80.1	Confident	80 Å²	80	69.6 Å²	69.6	39%	0.394	38%	0.383	S	S	.	.	H	α-helix	trans	-72.6	-25.8	172.6	-57.6	179.8	76.2	0	0	112.5	A135 I136 S137 Q141 D142 F143	A135-M139 PolarHBondContact O-N 3.05Å; I136-M139 WeakPolarHBondContact O-CB 3.5Å; I136-M139 PolarHBondContact O-N 3.22Å; I136-M139 VanDerWaalsContact O-N 3.1Å; S137-M139 PolarHBondContact O-N 2.86Å; M139-Q141 PolarHBondContact O-N 2.92Å; M139-Q141 VanDerWaalsContact O-N 3.11Å; M139-D142 WeakPolarHBondContact O-CA 3.49Å; M139-D142 WeakPolarHBondContact O-CB 3.49Å; M139-D142 PolarHBondContact O-N 3.2Å; M139-F143 HydrophobicContact CB-CB 3.98Å; M139-F143 PolarHBondContact O-N 3.39Å; M139-F143 HydrophobicContact SD-CD2 4.1Å
140	G	86.4	Confident	78.1	Confident	13 Å²	13	71.7 Å²	71.7	13%	0.134	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	-116.8	177.8	0	0	0	0	0	113.4	P26 V27 Q30 S137 H138 F143	P26-G140 CarbonylContact O-C 3.6Å; P26-G140 WeakPolarHBondContact O-CA 3.31Å; V27-G140 WeakPolarHBondContact CA-O 3.3Å; Q30-G140 PolarHBondContact NE2-O 2.74Å; S137-G140 PolarHBondContact O-N 2.93Å; S137-G140 VanDerWaalsContact O-N 3.16Å; H138-G140 VanDerWaalsContact C-N 3.33Å; G140-F143 WeakPolarHBondContact O-CB 3.26Å
141	Q	83	Confident	75.8	Confident	96 Å²	96	71.2 Å²	71.2	45%	0.449	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.8	176.2	-171.4	175.4	-17.2	0	0	113.1	L33 M139 F143 W144	L33-Q141 HydrophobicContact CD1-CG 4.13Å; M139-Q141 PolarHBondContact O-N 2.92Å; M139-Q141 VanDerWaalsContact O-N 3.11Å; Q141-F143 PolarHBondContact O-N 3.43Å; Q141-F143 VanDerWaalsContact O-N 3.16Å; Q141-W144 PolarHBondContact O-N 2.96Å; Q141-W144 VanDerWaalsContact O-N 3.08Å
142	D	84.6	Confident	73.5	Confident	113 Å²	113	68 Å²	68	60%	0.604	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-68.7	-12.6	-178.5	-67.6	-49.1	0	0	0	113.7	M139 W144 S145	M139-D142 WeakPolarHBondContact O-CA 3.49Å; M139-D142 WeakPolarHBondContact O-CB 3.49Å; M139-D142 PolarHBondContact O-N 3.2Å; D142-W144 PolarHBondContact O-N 2.82Å; D142-S145 WeakPolarHBondContact O-CB 3.24Å; D142-S145 PolarHBondContact O-N 2.6Å; D142-S145 PolarHBondContact OD1-OG 2.9Å
143	F	88.3	Confident	71.1	Confident	30 Å²	30	72.4 Å²	72.4	13%	0.132	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-49.3	-42.2	164.9	-179.4	-93.1	0	0	0	112.1	V27 P121 A123 I124 I136 M139 G140 Q141	V27-F143 HydrophobicContact CG1-CB 3.78Å; V27-F143 HydrophobicContact CG1-CD1 3.31Å; V27-F143 HydrophobicContact CG1-CD2 4.07Å; V27-F143 HydrophobicContact CG1-CE1 3.87Å; V27-F143 HydrophobicContact CG1-CG 3.43Å; V27-F143 VanDerWaalsContact CG1-CG 3.43Å; V27-F143 HydrophobicContact CG1-CZ 4.44Å; V27-F143 HydrophobicContact CG2-CB 4.2Å; V27-F143 HydrophobicContact CG2-CD2 4.48Å; V27-F143 HydrophobicContact CG2-CG 4.31Å; P121-F143 HydrophobicContact CB-CE1 3.78Å; P121-F143 HydrophobicContact CB-CZ 3.7Å; P121-F143 HydrophobicContact CG-CE1 4.2Å; P121-F143 HydrophobicContact CG-CZ 4.5Å; A123-F143 HydrophobicContact CB-CE2 3.98Å; A123-F143 HydrophobicContact CB-CZ 4.2Å; I124-F143 HydrophobicContact CD1-CZ 4.47Å; I136-F143 HydrophobicContact CG2-CD2 3.82Å; I136-F143 HydrophobicContact CG2-CE2 3.76Å; M139-F143 HydrophobicContact CB-CB 3.98Å; M139-F143 PolarHBondContact O-N 3.39Å; M139-F143 HydrophobicContact SD-CD2 4.1Å; G140-F143 WeakPolarHBondContact O-CB 3.26Å; Q141-F143 PolarHBondContact O-N 3.43Å; Q141-F143 VanDerWaalsContact O-N 3.16Å
144	W	85.3	Confident	68.4	Low	15 Å²	15	79.2 Å²	79.2	6%	0.057	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-84.9	-9.6	-178.4	-52.2	105.4	0	0	0	113.5	V27 V41 E45 T49 P121 Q141 D142	V27-W144 HydrophobicContact CG1-CZ2 4.12Å; V27-W144 PolarHBondContact O-NE1 2.91Å; V41-W144 HydrophobicContact CG1-CB 3.82Å; V41-W144 HydrophobicContact CG1-CD2 3.51Å; V41-W144 HydrophobicContact CG1-CE3 3.47Å; V41-W144 VanDerWaalsContact CG1-CE3 3.47Å; V41-W144 HydrophobicContact CG1-CG 3.72Å; V41-W144 HydrophobicContact CG1-CZ3 4.18Å; V41-W144 HydrophobicContact CG2-CB 3.87Å; V41-W144 HydrophobicContact CG2-CG 4.41Å; E45-W144 HydrophobicContact CG-CE3 4.13Å; E45-W144 HydrophobicContact CG-CZ3 3.81Å; T49-W144 HydrophobicContact CG2-CH2 3.83Å; T49-W144 HydrophobicContact CG2-CZ3 3.86Å; P121-W144 HydrophobicContact CB-CH2 4.5Å; P121-W144 HydrophobicContact CG-CH2 3.58Å; P121-W144 HydrophobicContact CG-CZ2 4.37Å; P121-W144 HydrophobicContact CG-CZ3 4.16Å; Q141-W144 PolarHBondContact O-N 2.96Å; Q141-W144 VanDerWaalsContact O-N 3.08Å; D142-W144 PolarHBondContact O-N 2.82Å
145	S	75.4	Confident	65.3	Low	80 Å²	80	79.1 Å²	79.1	56%	0.559	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-79.5	-20.3	176.5	-59.5	0	0	0	0	112.3	D142	D142-S145 WeakPolarHBondContact O-CB 3.24Å; D142-S145 PolarHBondContact O-N 2.6Å; D142-S145 PolarHBondContact OD1-OG 2.9Å
146	A	63	Low	62.7	Low	48 Å²	48	82 Å²	82	40%	0.397	48%	0.482	S	S	.	.	S	Bend	trans	-64	144.4	178.3	0	0	0	0	0	112.2	S148	A146-S148 PolarHBondContact O-N 3.16Å
147	P	53.9	Low	59.7	Low	102 Å²	102	89.6 Å²	89.6	66%	0.662	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-71.9	116.6	171	28.5	-32.1	0	0	0	110.5
148	S	47.7	Very low	56.6	Low	34 Å²	34	92.5 Å²	92.5	24%	0.238	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-61	142.5	169.7	179.3	0	0	0	0	110.1	A146 V150 D151	A146-S148 PolarHBondContact O-N 3.16Å; S148-V150 PolarHBondContact O-N 3.42Å; S148-D151 PolarHBondContact O-N 2.94Å
149	A	42.2	Very low	53.5	Low	80 Å²	80	89.9 Å²	89.9	66%	0.661	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-58.9	-16.3	-177.5	0	0	0	0	0	113.9	D151	A149-D151 VanDerWaalsContact C-N 3.32Å
150	V	44.4	Very low	50.5	Low	97 Å²	97	93.5 Å²	93.5	59%	0.588	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-67.7	-28.2	175.9	-171.4	0	0	0	0	112.6	S148 I152	S148-V150 PolarHBondContact O-N 3.42Å; V150-I152 PolarHBondContact O-N 3.1Å
151	D	39.2	Very low	47.6	Very low	74 Å²	74	96.7 Å²	96.7	40%	0.396	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-73.1	-9	-178.7	-75	-31.3	0	0	0	113.2	R44 S148 A149	R44-D151 IonicContact CZ-OD2 3.7Å; R44-D151 IonicContact NE-OD2 3.5Å; R44-D151 PolarHBondContact NE-OD2 2.99Å; R44-D151 IonicContact NH2-OD2 2.8Å; R44-D151 PolarHBondContact NH2-OD2 3.46Å; S148-D151 PolarHBondContact O-N 2.94Å; A149-D151 VanDerWaalsContact C-N 3.32Å
152	I	40.1	Very low	44.8	Very low	140 Å²	140	97.3 Å²	97.3	72%	0.718	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-87.7	-18.1	-175.8	-62.2	178.2	0	0	0	113.3	V150	V150-I152 PolarHBondContact O-N 3.1Å
153	Q	37.6	Very low	41.8	Very low	177 Å²	177	97.5 Å²	97.5	83%	0.827	62%	0.621	S	S	*	*	S	Bend	trans	-99.5	16.3	-172.3	-76.5	-167	-5.8	0	0	116.3
154	N	32.6	Very low	38.8	Very low	144 Å²	144	102 Å²	102	77%	0.77	66%	0.656	S	S	*	*			trans	-124.1	65.9	-178.9	-73.7	-79.3	0	0	0	113.6
155	G	25.9	Very low	35.9	Very low	73 Å²	73	105.4 Å²	105.4	75%	0.753	70%	0.696	S	S	*	*			trans	-94.8	142	161.4	0	0	0	0	0	111.2
156	P	32.3	Very low	33.4	Very low	117 Å²	117	106.3 Å²	106.3	76%	0.76	71%	0.708	S	S	*	*			trans	-100.8	167.3	-168	40.1	-38.3	0	0	0	115.8
157	L	26.7	Very low	31.6	Very low	180 Å²	180	112.4 Å²	112.4	94%	0.942	73%	0.734	S	S	*	*			trans	76.4	127.1	178.3	-74.1	89.8	0	0	0	118.3
158	G	24.3	Very low	30.2	Very low	83 Å²	83	112 Å²	112	86%	0.856	74%	0.739	S	S	*	*			trans	165.7	100.3	170.9	0	0	0	0	0	111.4
159	S	23.5	Very low	29	Very low	112 Å²	112	120 Å²	120	78%	0.783	77%	0.773	S	S	*	*			trans	-100.9	151.1	-170.5	-178	0	0	0	0	113.4
160	I	25.1	Very low	28.1	Very low	156 Å²	156	125.6 Å²	125.6	80%	0.8	79%	0.788	S	S	*	*				165.9	140.1	129.3	-86.7	156.9	0	0	0	112.8
161	A	23.6	Very low	27	Very low	79 Å²	79	125.9 Å²	125.9	65%	0.653	80%	0.801	S	S	*	*			trans	53.8	131.7	163	0	0	0	0	0	119.6
162	S	24	Very low	26.3	Very low	110 Å²	110	125.7 Å²	125.7	77%	0.769	82%	0.816	S	S	*	*			cis	74.4	142.8	41.7	87.3	0	0	0	0	113.9
163	T	22.7	Very low	25.9	Very low	117 Å²	117	126.6 Å²	126.6	72%	0.718	83%	0.828	S	S	*	*			cis	-145.5	155.6	18.8	47.3	0	0	0	0	115.2
164	S	24.9	Very low	25.3	Very low	123 Å²	123	126.4 Å²	126.4	86%	0.86	83%	0.828	S	S	*	*			trans	42.5	132.2	137.7	-52.6	0	0	0	0	123.3
165	G	24.3	Very low	25	Very low	87 Å²	87	125.2 Å²	125.2	90%	0.897	82%	0.821	S	S	*	*			trans	173.8	83.3	161.5	0	0	0	0	0	113.9
166	A	23.4	Very low	24.8	Very low	100 Å²	100	133.2 Å²	133.2	83%	0.826	83%	0.828	S	S	*	*			trans	-105.5	138.3	-179.9	0	0	0	0	0	112.3
167	N	24.5	Very low	24.5	Very low	175 Å²	175	133.2 Å²	133.2	94%	0.936	83%	0.83	S	S	*	*			trans	-156.7	146.7	155.8	-114.8	-23.3	0	0	0	109.4
168	A	24.5	Very low	24.5	Very low	94 Å²	94	129.4 Å²	129.4	78%	0.777	82%	0.818	S	S	*	*			trans	-132.1	147.4	-173.3	0	0	0	0	0	111.6
169	Q	23.5	Very low	24.5	Very low	203 Å²	203	133 Å²	133	95%	0.949	82%	0.817	S	S	*	*			trans	-151.4	148.9	162.2	-110.7	166.9	26.3	0	0	110.6
170	M	22.4	Very low	24.7	Very low	196 Å²	196	137 Å²	137	97%	0.966	82%	0.821	S	S	*	*			trans	-82	148	-176.3	-66	176.7	169.6	0	0	112.2
171	A	22.6	Very low	25	Very low	104 Å²	104	138.2 Å²	138.2	86%	0.86	83%	0.825	S	S	*	*			trans	-153.1	134.5	156	0	0	0	0	0	112.3
172	G	23.4	Very low	25.2	Very low	70 Å²	70	146.4 Å²	146.4	72%	0.722	84%	0.839	S	S	*	*			trans	62.3	95.1	146.3	0	0	0	0	0	119.6	Q174	G172-Q174 PolarHBondContact O-N 3.46Å
173	T	32.4	Very low	25.3	Very low	159 Å²	159	144.3 Å²	144.3	98%	0.975	84%	0.835	S	S	*	*			trans	-70.9	91.6	154.5	-46.6	0	0	0	0	109.1
174	Q	25	Very low	25.6	Very low	173 Å²	173	148.9 Å²	148.9	81%	0.808	85%	0.845	S	S	*	*			trans	-138.4	122	179.7	-162.5	167	8	0	0	113.5	G172	G172-Q174 PolarHBondContact O-N 3.46Å
175	D	25.4	Very low	25.8	Very low	118 Å²	118	152 Å²	152	63%	0.631	85%	0.846	S	S	*	*			trans	29	112	157.5	-152.3	-18	0	0	0	119.7	C177	D175-C177 VanDerWaalsContact C-N 3.34Å; D175-C177 PolarHBondContact O-N 2.96Å; D175-C177 PolarHBondContact OD1-N 3.49Å; D175-C177 PolarHBondContact OD1-SG 3.09Å
176	R	23	Very low	26.2	Very low	241 Å²	241	151.5 Å²	151.5	91%	0.909	84%	0.841	S	S	*	*	S	Bend	trans	-88.3	18.1	-176.6	-69.6	-173.5	64.6	-177.3	-1.6	115
177	C	26.1	Very low	26.4	Very low	118 Å²	118	154.5 Å²	154.5	80%	0.797	84%	0.835	S	S	*	*			trans	-88.2	4.2	-176.7	-63.3	0	0	0	0	116	D175	D175-C177 VanDerWaalsContact C-N 3.34Å; D175-C177 PolarHBondContact O-N 2.96Å; D175-C177 PolarHBondContact OD1-N 3.49Å; D175-C177 PolarHBondContact OD1-SG 3.09Å
178	S	25.5	Very low	26.9	Very low	99 Å²	99	148.3 Å²	148.3	69%	0.692	80%	0.804	S	S	*	*			trans	-104.7	6.5	-166.8	55.7	0	0	0	0	116.5
179	L	24.2	Very low	27.3	Very low	158 Å²	158	148.7 Å²	148.7	83%	0.827	80%	0.799	S	S	*	*			trans	-97.9	16	-165.8	-108.7	171.8	0	0	0	117.1
180	F	27.8	Very low	28.2	Very low	196 Å²	196	140.9 Å²	140.9	86%	0.86	76%	0.762	S	S	*	*	S	Bend	trans	-118	157.8	160.3	-81.5	-85.5	0	0	0	110
181	M	31	Very low	29.1	Very low	182 Å²	182	135.8 Å²	135.8	90%	0.897	74%	0.738	S	S	*	*	S	Bend	trans	75.6	27.6	179.4	-46.3	-53.4	-73.6	0	0	117.9
182	R	28.4	Very low	30	Very low	252 Å²	252	130.8 Å²	130.8	95%	0.951	70%	0.697	S	S	*	*			trans	-113.5	46.7	157.8	-147.6	174.9	-163.5	-177.8	5.9	113.9
183	G	26.3	Very low	30.9	Very low	66 Å²	66	129.2 Å²	129.2	68%	0.68	67%	0.674	S	S	*	*			trans	-73.7	151.1	165	0	0	0	0	0	111.9	Q185	G183-Q185 PolarHBondContact O-N 2.72Å
184	K	28.4	Very low	31	Very low	212 Å²	212	123.1 Å²	123.1	92%	0.922	64%	0.635	S	S	*	*	S	Bend	trans	-69	125	-177.1	-66.3	175.6	178.9	176.7	0	111.4
185	Q	28.8	Very low	31.9	Very low	190 Å²	190	119.6 Å²	119.6	89%	0.888	62%	0.618	S	S	*	*	S	Bend	trans	52.4	108.2	-179.9	-66.1	-168.5	-8.5	0	0	114.5	G183 K187	G183-Q185 PolarHBondContact O-N 2.72Å; Q185-K187 PolarHBondContact O-N 2.67Å
186	G	33	Very low	32.5	Very low	76 Å²	76	119.1 Å²	119.1	78%	0.784	61%	0.614	S	S	*	*			trans	-67.5	131.5	-171.5	0	0	0	0	0	113.5
187	K	28	Very low	33	Very low	162 Å²	162	110.5 Å²	110.5	70%	0.704	58%	0.584	S	S	*	*			trans	-101.7	129.1	154.8	-64.1	-173	175.4	-169	0	107.4	Q185 C189	Q185-K187 PolarHBondContact O-N 2.67Å; K187-C189 VanDerWaalsContact C-N 3.28Å; K187-C189 PolarHBondContact O-N 2.9Å
188	V	35.7	Very low	33.4	Very low	46 Å²	46	112 Å²	112	28%	0.279	58%	0.584	S	S	.	*			trans	-84.1	77.8	-177.5	-174.2	0	0	0	0	109.3	F190 D588 G651	V188-F190 VanDerWaalsContact C-N 3.26Å; V188-F190 PolarHBondContact O-N 3.19Å; V188-D588 PolarHBondContact N-OD1 3.46Å; V188-G651 WeakPolarHBondContact CG2-O 3.33Å
189	C	32.6	Very low	33.6	Very low	101 Å²	101	114.4 Å²	114.4	68%	0.682	58%	0.584	S	S	*	*			trans	-68.5	79.5	178	-66.9	0	0	0	0	111.5	K187 I191	K187-C189 VanDerWaalsContact C-N 3.28Å; K187-C189 PolarHBondContact O-N 2.9Å; C189-I191 PolarHBondContact O-N 3.22Å
190	F	42.7	Very low	34.1	Very low	39 Å²	39	111.4 Å²	111.4	17%	0.171	57%	0.572	C	S	.	*			trans	-68.7	100.8	172.4	-176.8	-97.8	0	0	0	110.3	V188 N192 Y628 T631 L661	V188-F190 VanDerWaalsContact C-N 3.26Å; V188-F190 PolarHBondContact O-N 3.19Å; F190-N192 HydrophobicContact CE1-CB 4.09Å; F190-N192 HydrophobicContact CZ-CB 4.24Å; F190-Y628 HydrophobicContact CD1-CD2 4.41Å; F190-Y628 AromaticContact CD1-CE2 3.75Å; F190-Y628 HydrophobicContact CD1-CE2 3.75Å; F190-Y628 AromaticContact CD1-CZ 3.91Å; F190-Y628 HydrophobicContact CE1-CE2 4.46Å; F190-Y628 WeakPolarHBondContact O-CE2 3.23Å; F190-T631 HydrophobicContact CE1-CG2 4.14Å; F190-T631 HydrophobicContact CE2-CG2 4.16Å; F190-T631 HydrophobicContact CZ-CG2 3.39Å; F190-L661 HydrophobicContact CE2-CD1 4.25Å; F190-L661 HydrophobicContact CE2-CD2 4.37Å
191	I	41.7	Very low	34.3	Very low	89 Å²	89	105.2 Å²	105.2	46%	0.456	55%	0.552	S	S	.	*			trans	-101.4	119.7	165.4	-60.3	173.7	0	0	0	106.1	C189 P193 F195 L196	C189-I191 PolarHBondContact O-N 3.22Å; I191-P193 VanDerWaalsContact O-CD 3.27Å; I191-P193 WeakPolarHBondContact O-CD 3.3Å; I191-P193 VanDerWaalsContact O-N 3.1Å; I191-F195 HydrophobicContact CG2-CB 4Å; I191-F195 HydrophobicContact CG2-CD2 4.15Å; I191-L196 HydrophobicContact CG2-CD2 4.01Å; I191-L196 HydrophobicContact CG2-CG 4.05Å
192	N	41.5	Very low	34.2	Very low	0 Å²	0	104.3 Å²	104.3	0%	0	54%	0.543	C	S	.	.			trans	-56.3	118.1	170	168.3	-17.4	0	0	0	108	F190 L194 F195 L622 G627	F190-N192 HydrophobicContact CE1-CB 4.09Å; F190-N192 HydrophobicContact CZ-CB 4.24Å; N192-L194 PolarHBondContact O-N 3.02Å; N192-L194 WeakPolarHBondContact OD1-CB 3.4Å; N192-L194 WeakPolarHBondContact OD1-CG 3.38Å; N192-L194 PolarHBondContact OD1-N 3.34Å; N192-F195 HydrophobicContact CB-CD2 3.79Å; N192-F195 HydrophobicContact CB-CE2 3.72Å; N192-F195 WeakPolarHBondContact O-CB 3.48Å; N192-F195 WeakPolarHBondContact O-CD2 3.36Å; N192-F195 PolarHBondContact O-N 3.12Å; N192-L622 PolarHBondContact ND2-O 3.35Å; N192-L622 VanDerWaalsContact ND2-O 3.17Å; N192-G627 PolarHBondContact ND2-O 3.44Å
193	P	40.9	Very low	34.2	Very low	37 Å²	37	98.8 Å²	98.8	24%	0.24	53%	0.533	C	S	.	.	G	3₁₀ helix	trans	-61.5	-15.6	-170	20.7	-34.5	0	0	0	115.4	I191 F195 L196 S665	I191-P193 VanDerWaalsContact O-CD 3.27Å; I191-P193 WeakPolarHBondContact O-CD 3.3Å; I191-P193 VanDerWaalsContact O-N 3.1Å; P193-F195 PolarHBondContact O-N 3.01Å; P193-L196 WeakPolarHBondContact O-CB 3.46Å; P193-L196 PolarHBondContact O-N 2.87Å; P193-S665 WeakPolarHBondContact CB-OG 3.26Å; P193-S665 WeakPolarHBondContact CG-OG 3.36Å
194	L	35.1	Very low	34.7	Very low	31 Å²	31	101.7 Å²	101.7	16%	0.162	53%	0.527	C	S	.	.	G	3₁₀ helix	trans	-62.3	-20.9	169.2	-61.7	172.5	0	0	0	112.5	N192 L622 W664	N192-L194 PolarHBondContact O-N 3.02Å; N192-L194 WeakPolarHBondContact OD1-CB 3.4Å; N192-L194 WeakPolarHBondContact OD1-CG 3.38Å; N192-L194 PolarHBondContact OD1-N 3.34Å; L194-L622 HydrophobicContact CD1-CB 3.55Å; L194-L622 HydrophobicContact CD1-CD1 3.74Å; L194-L622 HydrophobicContact CD1-CG 4.3Å; L194-W664 HydrophobicContact CD1-CH2 4.14Å
195	F	44.9	Very low	35	Very low	99 Å²	99	97.8 Å²	97.8	43%	0.434	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-77.5	-15.8	171.1	-60.1	-53	0	0	0	114.4	I191 N192 P193 Q197 G624	I191-F195 HydrophobicContact CG2-CB 4Å; I191-F195 HydrophobicContact CG2-CD2 4.15Å; N192-F195 HydrophobicContact CB-CD2 3.79Å; N192-F195 HydrophobicContact CB-CE2 3.72Å; N192-F195 WeakPolarHBondContact O-CB 3.48Å; N192-F195 WeakPolarHBondContact O-CD2 3.36Å; N192-F195 PolarHBondContact O-N 3.12Å; P193-F195 PolarHBondContact O-N 3.01Å; F195-Q197 VanDerWaalsContact C-N 3.31Å; F195-G624 VanDerWaalsContact CZ-N 3.28Å
196	L	37.2	Very low	35.1	Very low	108 Å²	108	96.6 Å²	96.6	57%	0.565	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-92.1	9.6	-177.4	-60.4	176.1	0	0	0	112.8	I191 P193 L198	I191-L196 HydrophobicContact CG2-CD2 4.01Å; I191-L196 HydrophobicContact CG2-CG 4.05Å; P193-L196 WeakPolarHBondContact O-CB 3.46Å; P193-L196 PolarHBondContact O-N 2.87Å; L196-L198 PolarHBondContact O-N 3.39Å
197	Q	34.2	Very low	35	Very low	60 Å²	60	96.6 Å²	96.6	28%	0.28	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	82.6	-155.3	-167.6	142.9	101.3	0	0	114.7	F195 T669	F195-Q197 VanDerWaalsContact C-N 3.31Å; Q197-T669 PolarHBondContact NE2-OG1 3.36Å; Q197-T669 PolarHBondContact OE1-OG1 2.86Å
198	L	33.6	Very low	35.3	Very low	150 Å²	150	97.1 Å²	97.1	79%	0.785	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.7	0.1	144.3	-139.1	73.8	0	0	0	117.5	L196	L196-L198 PolarHBondContact O-N 3.39Å
199	E	30.7	Very low	35.1	Very low	148 Å²	148	100.1 Å²	100.1	69%	0.692	49%	0.486	S	S	*	.	S	Bend	trans	-120.3	-45.5	-177	-86.6	176	170.7	0	0	116.3	C201	E199-C201 VanDerWaalsContact C-N 3.33Å; E199-C201 PolarHBondContact O-N 2.96Å
200	V	33.4	Very low	35.2	Very low	95 Å²	95	101.6 Å²	101.6	58%	0.576	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-67.3	-25.1	-166	-174.4	0	0	0	0	114.6	K202 F204	V200-K202 VanDerWaalsContact C-N 3.29Å; V200-K202 PolarHBondContact O-N 3.48Å; V200-F204 HydrophobicContact CG1-CD2 4.39Å; V200-F204 HydrophobicContact CG1-CE2 4.01Å
201	C	32.2	Very low	34.8	Very low	66 Å²	66	106 Å²	106	45%	0.446	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-78.4	0.3	-170.7	-60.7	0	0	0	0	115.8	E199	E199-C201 VanDerWaalsContact C-N 3.33Å; E199-C201 PolarHBondContact O-N 2.96Å
202	K	28.9	Very low	34.3	Very low	164 Å²	164	110.4 Å²	110.4	71%	0.713	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-77.8	-37.6	178.3	-75.8	179.7	177.6	172.4	0	113.1	V200 Y205	V200-K202 VanDerWaalsContact C-N 3.29Å; V200-K202 PolarHBondContact O-N 3.48Å; K202-Y205 VanDerWaalsContact O-CB 3.3Å; K202-Y205 WeakPolarHBondContact O-CB 3.41Å
203	D	29.2	Very low	33.7	Very low	135 Å²	135	116.7 Å²	116.7	72%	0.722	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-79.7	-31.2	-171.7	-56.5	-31.9	0	0	0	112.3	Y205	D203-Y205 PolarHBondContact O-N 2.9Å
204	F	35.5	Very low	33.2	Very low	127 Å²	127	120.1 Å²	120.1	56%	0.557	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-71.8	-8.2	176.2	-72.4	-83.8	0	0	0	114.6	V200 Y206	V200-F204 HydrophobicContact CG1-CD2 4.39Å; V200-F204 HydrophobicContact CG1-CE2 4.01Å; F204-Y206 PolarHBondContact O-N 3.31Å; F204-Y206 VanDerWaalsContact O-N 3.16Å
205	Y	35.3	Very low	33.1	Very low	131 Å²	131	123.6 Å²	123.6	51%	0.514	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-60.6	-24.4	-176.8	176.2	-115.8	0	0	0	114.1	K202 D203	K202-Y205 VanDerWaalsContact O-CB 3.3Å; K202-Y205 WeakPolarHBondContact O-CB 3.41Å; D203-Y205 PolarHBondContact O-N 2.9Å
206	Y	31.6	Very low	32.2	Very low	164 Å²	164	123.5 Å²	123.5	64%	0.643	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-40.2	-175.5	-69.6	-80.2	0	0	0	114.7	F204 K209 L210	F204-Y206 PolarHBondContact O-N 3.31Å; F204-Y206 VanDerWaalsContact O-N 3.16Å; Y206-K209 PolarHBondContact O-N 3Å; Y206-L210 PolarHBondContact O-N 3.33Å
207	D	31	Very low	31.7	Very low	77 Å²	77	127.9 Å²	127.9	41%	0.412	63%	0.63	S	S	.	*	H	α-helix	trans	-70.4	-44.7	-173	-179.2	59.3	0	0	0	113.1	K209 L210 K211	D207-K209 VanDerWaalsContact C-N 3.28Å; D207-K209 PolarHBondContact O-N 3.3Å; D207-L210 PolarHBondContact O-N 2.76Å; D207-K211 PolarHBondContact O-N 3.41Å; D207-K211 IonicContact OD1-NZ 2.6Å; D207-K211 PolarHBondContact OD1-NZ 3.4Å; D207-K211 IonicContact OD2-NZ 3.55Å; D207-K211 PolarHBondContact OD2-NZ 3.49Å
208	Y	33.6	Very low	31.4	Very low	173 Å²	173	133.7 Å²	133.7	68%	0.678	66%	0.657	S	S	*	*	H	α-helix	trans	-66.2	-31.2	176.3	-93.2	-90	0	0	0	112.8	K211 F212	Y208-K211 PolarHBondContact O-N 2.8Å; Y208-F212 WeakPolarHBondContact O-CB 3.28Å; Y208-F212 PolarHBondContact O-N 3.42Å
209	K	31.5	Very low	31	Very low	109 Å²	109	131.3 Å²	131.3	47%	0.474	65%	0.653	S	S	.	*	H	α-helix	trans	-67.3	-38.8	177.3	-165.8	169.6	-173.1	172.7	0	111.6	Y206 D207 M213	Y206-K209 PolarHBondContact O-N 3Å; D207-K209 VanDerWaalsContact C-N 3.28Å; D207-K209 PolarHBondContact O-N 3.3Å; K209-M213 HydrophobicContact CG-CG 4.16Å; K209-M213 VanDerWaalsContact O-CB 3.22Å; K209-M213 WeakPolarHBondContact O-CB 3.28Å; K209-M213 WeakPolarHBondContact O-CG 3.46Å; K209-M213 PolarHBondContact O-N 3.23Å
210	L	35.3	Very low	30.7	Very low	131 Å²	131	131.8 Å²	131.8	69%	0.686	66%	0.66	S	S	*	*	H	α-helix	trans	-63.6	-44	174.7	-90.1	154.2	0	0	0	112.5	Y206 D207	Y206-L210 PolarHBondContact O-N 3.33Å; D207-L210 PolarHBondContact O-N 2.76Å
211	K	34.2	Very low	30.3	Very low	133 Å²	133	136 Å²	136	58%	0.578	68%	0.678	S	S	*	*	H	α-helix	trans	-69	-39.5	-179.9	-73.4	161.2	-177.5	154.5	0	113	D207 Y208	D207-K211 PolarHBondContact O-N 3.41Å; D207-K211 IonicContact OD1-NZ 2.6Å; D207-K211 PolarHBondContact OD1-NZ 3.4Å; D207-K211 IonicContact OD2-NZ 3.55Å; D207-K211 PolarHBondContact OD2-NZ 3.49Å; Y208-K211 PolarHBondContact O-N 2.8Å
212	F	30.1	Very low	29.9	Very low	181 Å²	181	137.5 Å²	137.5	79%	0.794	69%	0.689	S	S	*	*	H	α-helix	trans	-78.5	-33.2	-179.1	-155.1	-96.5	0	0	0	113.4	Y208 S214	Y208-F212 WeakPolarHBondContact O-CB 3.28Å; Y208-F212 PolarHBondContact O-N 3.42Å; F212-S214 PolarHBondContact O-N 3Å
213	M	29.7	Very low	29.7	Very low	131 Å²	131	138.5 Å²	138.5	65%	0.645	69%	0.694	S	S	*	*	H	α-helix	trans	-67	-20.5	175.8	-72.8	-73.4	-57.8	0	0	113.4	K209 S215	K209-M213 HydrophobicContact CG-CG 4.16Å; K209-M213 VanDerWaalsContact O-CB 3.22Å; K209-M213 WeakPolarHBondContact O-CB 3.28Å; K209-M213 WeakPolarHBondContact O-CG 3.46Å; K209-M213 PolarHBondContact O-N 3.23Å; M213-S215 PolarHBondContact O-N 2.8Å
214	S	30.7	Very low	29.4	Very low	109 Å²	109	139 Å²	139	76%	0.762	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-0	-176.6	-166.3	0	0	0	0	114.8	F212	F212-S214 PolarHBondContact O-N 3Å
215	S	32.3	Very low	28.8	Very low	105 Å²	105	140.7 Å²	140.7	73%	0.734	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.9	5.5	-174.5	-168.7	0	0	0	0	114.4	M213	M213-S215 PolarHBondContact O-N 2.8Å
216	C	26.8	Very low	28.3	Very low	97 Å²	97	143.1 Å²	143.1	66%	0.655	72%	0.721	S	S	*	*	S	Bend	trans	-146.9	130.8	-179.1	-85.1	0	0	0	0	112.2
217	F	26	Very low	28	Very low	199 Å²	199	140.9 Å²	140.9	87%	0.873	73%	0.727	S	S	*	*			trans	63.2	96.8	172.1	-90.4	-98.9	0	0	0	118.1
218	E	26.9	Very low	27.7	Very low	182 Å²	182	146.3 Å²	146.3	85%	0.85	75%	0.75	S	S	*	*			trans	-64.2	167.5	134.4	-65.9	-171.4	121.2	0	0	110.8
219	S	25.9	Very low	27.2	Very low	101 Å²	101	147 Å²	147	71%	0.706	76%	0.759	S	S	*	*			trans	92.1	129	172	-50.3	0	0	0	0	118.2
220	N	25.1	Very low	26.7	Very low	158 Å²	158	147.3 Å²	147.3	85%	0.845	77%	0.77	S	S	*	*			trans	69.9	65	159.5	-60.3	-42	0	0	0	119.1	S222	N220-S222 PolarHBondContact O-N 2.6Å
221	L	24.7	Very low	26.1	Very low	183 Å²	183	148.7 Å²	148.7	96%	0.958	78%	0.778	S	S	*	*			trans	-67.2	110.1	152.1	176.9	76.4	0	0	0	110.8
222	S	24.1	Very low	25.7	Very low	97 Å²	97	150.8 Å²	150.8	68%	0.678	79%	0.79	S	S	*	*			trans	-155.3	128.1	157.7	72.5	0	0	0	0	116.3	N220	N220-S222 PolarHBondContact O-N 2.6Å
223	K	23.9	Very low	25.5	Very low	186 Å²	186	148.4 Å²	148.4	81%	0.809	80%	0.796	S	S	*	*			trans	70.5	131.1	141.4	-77.9	-179.9	177.9	177	0	122.5
224	L	23.6	Very low	25.2	Very low	146 Å²	146	146 Å²	146	76%	0.764	80%	0.797	S	S	*	*			trans	65.6	154.7	161.2	-78.8	82.1	0	0	0	117.7
225	Q	23.4	Very low	25.1	Very low	162 Å²	162	145.9 Å²	145.9	76%	0.757	80%	0.796	S	S	*	*			cis	-163.9	149.7	-32.2	-175.8	159.4	-16.6	0	0	108.1	P227	Q225-P227 WeakPolarHBondContact O-CD 3.34Å
226	Q	24.8	Very low	24.8	Very low	181 Å²	181	146.9 Å²	146.9	85%	0.846	79%	0.793	S	S	*	*			trans	-74.6	140.9	172.4	-72.1	-178.7	-11.2	0	0	112.2
227	P	24.9	Very low	24.9	Very low	117 Å²	117	149 Å²	149	76%	0.76	79%	0.791	S	S	*	*			trans	-114.5	158.8	141.9	11.1	9.7	0	0	0	111.4	Q225	Q225-P227 WeakPolarHBondContact O-CD 3.34Å
228	Q	23.3	Very low	25.1	Very low	191 Å²	191	147.4 Å²	147.4	89%	0.893	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-85.6	140.3	-179	-62.3	169.1	-5.1	0	0	110.8
229	H	23.1	Very low	25.2	Very low	187 Å²	187	146.9 Å²	146.9	87%	0.866	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-93.3	122.3	172	-98.2	-85.4	0	0	0	111.5
230	T	22.2	Very low	25.5	Very low	117 Å²	117	151.1 Å²	151.1	72%	0.718	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.1	143.6	165.7	44.7	0	0	0	0	110.6	H232	T230-H232 PolarHBondContact O-N 3.07Å
231	N	22.6	Very low	25.8	Very low	160 Å²	160	148.7 Å²	148.7	86%	0.856	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-82.4	117.3	-177.6	-71.5	-53.1	0	0	0	111.6
232	H	25.7	Very low	26.2	Very low	177 Å²	177	148.9 Å²	148.9	82%	0.819	75%	0.752	S	S	*	*			trans	-116.5	114.4	158.6	-77.5	-74.9	0	0	0	109.7	T230	T230-H232 PolarHBondContact O-N 3.07Å
233	S	24.9	Very low	26.8	Very low	131 Å²	131	148.4 Å²	148.4	92%	0.916	74%	0.735	S	S	*	*			trans	-82.4	126.2	-179.7	-172.6	0	0	0	0	110.7
234	A	24.3	Very low	27.3	Very low	81 Å²	81	144.6 Å²	144.6	67%	0.669	73%	0.732	S	S	*	*			trans	-124.3	100.5	176.5	0	0	0	0	0	110.1	N236	A234-N236 PolarHBondContact O-N 3.11Å; A234-N236 PolarHBondContact O-ND2 3.33Å
235	S	28.5	Very low	27.9	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	72%	0.715	S	S	*	*			trans	-64	131.3	-178.3	-174.8	0	0	0	0	111.8
236	N	25.5	Very low	28.3	Very low	127 Å²	127	144.4 Å²	144.4	68%	0.679	72%	0.719	S	S	*	*			trans	-130.8	91.9	176.9	-87.9	-82.4	0	0	0	109.8	A234 R238	A234-N236 PolarHBondContact O-N 3.11Å; A234-N236 PolarHBondContact O-ND2 3.33Å; N236-R238 PolarHBondContact O-N 3.28Å
237	K	29.2	Very low	28.5	Very low	142 Å²	142	138.5 Å²	138.5	62%	0.617	69%	0.693	S	S	*	*			trans	-62	111.9	178.1	-71.2	-173.9	176.3	-173.1	0	110.5	D85	D85-K237 IonicContact OD1-NZ 3.21Å; D85-K237 WeakPolarHBondContact OD2-CE 3.48Å; D85-K237 IonicContact OD2-NZ 3.23Å; D85-K237 PolarHBondContact OD2-NZ 3.01Å
238	R	30.7	Very low	28.6	Very low	165 Å²	165	143.4 Å²	143.4	62%	0.623	70%	0.696	S	S	*	*			trans	-94.6	111.4	178.8	-68.8	-172.2	-177.3	-118.5	-0.9	111.5	N236 R240	N236-R238 PolarHBondContact O-N 3.28Å; R238-R240 PolarHBondContact O-N 3.28Å
239	H	28.7	Very low	28.8	Very low	170 Å²	170	140.4 Å²	140.4	79%	0.787	69%	0.686	S	S	*	*			trans	-68.6	126.4	173.3	-69.9	76.6	0	0	0	110.4
240	R	32.1	Very low	28.8	Very low	191 Å²	191	136.1 Å²	136.1	72%	0.721	68%	0.676	S	S	*	*			trans	-109.6	91.6	-175.1	-152.7	174.1	-165.6	145.9	-3.1	110.3	A94 R238 K242	A94-R240 PolarHBondContact O-NH1 3.21Å; R238-R240 PolarHBondContact O-N 3.28Å; R240-K242 PolarHBondContact O-N 2.93Å
241	F	31.1	Very low	29.2	Very low	107 Å²	107	138.1 Å²	138.1	47%	0.469	68%	0.678	S	S	.	*			trans	-61.5	127.9	-174.6	-79.4	-67.9	0	0	0	113.6	R243 N476	F241-R243 HydrophobicContact CB-CG 4.47Å; F241-R243 PolarHBondContact O-N 3.13Å; F241-R243 VanDerWaalsContact O-N 3.11Å; F241-N476 HydrophobicContact CE1-CB 4.45Å
242	K	33.7	Very low	29.5	Very low	186 Å²	186	135.6 Å²	135.6	81%	0.809	67%	0.672	S	S	*	*			trans	-81.4	74.9	170.4	-69.5	178.3	179.6	170.6	0	111.3	R240 S244	R240-K242 PolarHBondContact O-N 2.93Å; K242-S244 PolarHBondContact O-N 3.4Å
243	R	36.2	Very low	29.6	Very low	87 Å²	87	132.5 Å²	132.5	33%	0.328	67%	0.671	S	S	.	*			trans	-79.7	61.7	172.7	-74.3	-170.8	176.4	153.6	7	112.8	F241 M245 D479 W621	F241-R243 HydrophobicContact CB-CG 4.47Å; F241-R243 PolarHBondContact O-N 3.13Å; F241-R243 VanDerWaalsContact O-N 3.11Å; R243-M245 PolarHBondContact O-N 2.77Å; R243-D479 VanDerWaalsContact NH2-CB 3.25Å; R243-W621 VanDerWaalsContact NH1-CZ2 3.33Å
244	S	34.2	Very low	29.8	Very low	106 Å²	106	135 Å²	135	74%	0.741	67%	0.671	S	S	*	*			trans	-81.1	89.9	167	56.3	0	0	0	0	110	K242 R246	K242-S244 PolarHBondContact O-N 3.4Å; S244-R246 PolarHBondContact O-N 2.92Å
245	M	37.1	Very low	30	Very low	84 Å²	84	138.4 Å²	138.4	41%	0.414	68%	0.677	S	S	.	*			trans	-71.2	92.9	-176.2	-168.4	-169.3	-58.2	0	0	112.1	R243 L247 L564 W621	R243-M245 PolarHBondContact O-N 2.77Å; M245-L247 PolarHBondContact O-N 3.37Å; M245-L247 HydrophobicContact SD-CD2 4.25Å; M245-L564 HydrophobicContact CE-CD2 3.83Å; M245-L564 HydrophobicContact SD-CD2 3.41Å; M245-L564 WeakPolarHBondContact SD-CD2 3.39Å; M245-W621 HydrophobicContact CE-CH2 4.41Å; M245-W621 HydrophobicContact CE-CZ3 3.71Å
246	R	32.1	Very low	29.8	Very low	220 Å²	220	141.7 Å²	141.7	83%	0.83	69%	0.686	S	S	*	*			trans	-79	84.3	176.8	-165.7	178.3	-172.8	101.3	1.5	111.2	S244 R248	S244-R246 PolarHBondContact O-N 2.92Å; R246-R248 PolarHBondContact O-N 2.97Å; R246-R248 VanDerWaalsContact O-N 3.11Å
247	L	28.4	Very low	29.8	Very low	57 Å²	57	141 Å²	141	30%	0.298	69%	0.691	S	S	.	*			trans	-53.1	113.6	169.4	-71.4	169.4	0	0	0	110.3	M245 L567	M245-L247 PolarHBondContact O-N 3.37Å; M245-L247 HydrophobicContact SD-CD2 4.25Å; L247-L567 HydrophobicContact CD1-CB 4.44Å; L247-L567 HydrophobicContact CD1-CD1 4.44Å
248	R	27.4	Very low	29.6	Very low	220 Å²	220	141.6 Å²	141.6	83%	0.83	70%	0.7	S	S	*	*			trans	-86.1	107.6	164.9	-77.3	-171.7	171.1	101.3	-6.6	108.2	R246 S250	R246-R248 PolarHBondContact O-N 2.97Å; R246-R248 VanDerWaalsContact O-N 3.11Å; R248-S250 PolarHBondContact O-N 3.39Å
249	L	26.4	Very low	29.5	Very low	129 Å²	129	142 Å²	142	68%	0.675	71%	0.709	S	S	*	*			trans	-73	119.4	168.9	-63.8	172.7	0	0	0	108.5
250	S	24.5	Very low	29.4	Very low	96 Å²	96	137.3 Å²	137.3	67%	0.671	71%	0.707	S	S	*	*			trans	-101.3	107.3	160	-58.1	0	0	0	0	106.7	R248 S252	R248-S250 PolarHBondContact O-N 3.39Å; S250-S252 PolarHBondContact O-N 2.86Å
251	E	29	Very low	29.1	Very low	160 Å²	160	135.8 Å²	135.8	75%	0.748	72%	0.718	S	S	*	*			trans	-78.4	1.8	174.1	-73.6	-174.6	138.7	0	0	112	K575	E251-K575 IonicContact OE1-NZ 3.68Å; E251-K575 PolarHBondContact OE1-NZ 3.25Å; E251-K575 IonicContact OE2-NZ 3.63Å
252	S	29.9	Very low	28.9	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	73%	0.729	S	S	*	*			trans	-116.8	87.5	-176.3	46.9	0	0	0	0	113.5	S250	S250-S252 PolarHBondContact O-N 2.86Å
253	S	27.3	Very low	28.4	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	73%	0.727	S	S	*	*			trans	-143.3	47.2	164.9	74.9	0	0	0	0	113.1
254	M	29.9	Very low	27.9	Very low	185 Å²	185	136 Å²	136	91%	0.911	76%	0.755	S	S	*	*	S	Bend	trans	-131.4	91.2	161.6	-75.5	-162.3	-104.5	0	0	110.1
255	N	28.3	Very low	27.6	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	75%	0.753	S	S	*	*			trans	53	129.2	150.2	-65.2	-21.6	0	0	0	123
256	L	24	Very low	27.3	Very low	174 Å²	174	137.5 Å²	137.5	91%	0.911	77%	0.77	S	S	*	*			trans	73.1	158.3	149	-62.9	168.7	0	0	0	118.5
257	S	25.9	Very low	27.1	Very low	114 Å²	114	133 Å²	133	80%	0.797	77%	0.77	S	S	*	*			trans	-130.6	139	-165.4	-47.1	0	0	0	0	110.9
258	L	25.5	Very low	27.3	Very low	153 Å²	153	136.3 Å²	136.3	80%	0.801	79%	0.794	S	S	*	*				-161.3	174.4	115.4	-150.4	52.6	0	0	0	111.5
259	E	28.2	Very low	27.2	Very low	175 Å²	175	131.7 Å²	131.7	82%	0.818	80%	0.796	S	S	*	*			trans	-51.7	165.1	-173.8	-62	157.7	148.8	0	0	116.7
260	G	26.2	Very low	27.3	Very low	71 Å²	71	133 Å²	133	73%	0.732	80%	0.803	S	S	*	*			cis	142.8	124.7	-7	0	0	0	0	0	114.9
261	V	25.9	Very low	27.4	Very low	159 Å²	159	137.1 Å²	137.1	96%	0.964	81%	0.811	S	S	*	*			trans	-151.1	142.6	165.9	-178.2	0	0	0	0	106.9
262	G	26.4	Very low	27.3	Very low	67 Å²	67	138.2 Å²	138.2	69%	0.691	82%	0.816	S	S	*	*			cis	-171.8	149.6	-7.2	0	0	0	0	0	108.6
263	S	24.6	Very low	27.7	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	82%	0.82	S	S	*	*			trans	-107.3	136	-173.6	-175.9	0	0	0	0	112.2
264	F	24.7	Very low	27.5	Very low	208 Å²	208	137.6 Å²	137.6	91%	0.912	82%	0.822	S	S	*	*			trans	-105.7	132.3	165	-78.5	-83.1	0	0	0	110.2
265	S	28.2	Very low	27.3	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	82%	0.818	S	S	*	*			trans	-117.5	149.8	176	-63.4	0	0	0	0	110.3
266	P	29.7	Very low	27.3	Very low	120 Å²	120	130.4 Å²	130.4	78%	0.779	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.4	157.4	172.1	32	-34.8	0	0	0	112.2
267	P	29.7	Very low	27.6	Very low	126 Å²	126	130.8 Å²	130.8	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-84.1	164.7	-174.5	34.4	-36.8	0	0	0	114.3
268	P	31.4	Very low	27.7	Very low	125 Å²	125	129 Å²	129	81%	0.812	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-93.1	159.5	-177.8	37.2	-35.9	0	0	0	114.5
269	S	25.8	Very low	27.8	Very low	123 Å²	123	128.5 Å²	128.5	86%	0.86	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-81.5	159.9	168.1	-45.2	0	0	0	0	112.4
270	L	28.5	Very low	27.8	Very low	158 Å²	158	127 Å²	127	83%	0.827	80%	0.801	S	S	*	*			trans	-142.5	158.4	177.8	-129.4	157.1	0	0	0	111.5
271	E	25.6	Very low	27.9	Very low	181 Å²	181	132.1 Å²	132.1	85%	0.846	80%	0.803	S	S	*	*			trans	85.8	136.4	169.2	-51.5	-157.6	140.4	0	0	120
272	Q	28.1	Very low	27.9	Very low	184 Å²	184	129 Å²	129	86%	0.86	79%	0.794	S	S	*	*			trans	-118.9	-172.4	171	-73.5	-169.1	-13.9	0	0	106.3
273	P	38	Very low	27.9	Very low	124 Å²	124	131.4 Å²	131.4	81%	0.805	80%	0.801	S	S	*	*			cis	-139	-177.1	3.4	42.7	-24.5	0	0	0	116.1
274	G	23.4	Very low	28.7	Very low	80 Å²	80	132.5 Å²	132.5	83%	0.825	81%	0.805	S	S	*	*			trans	156.5	129	151.8	0	0	0	0	0	117.5
275	G	24.6	Very low	28.9	Very low	81 Å²	81	129.6 Å²	129.6	84%	0.835	80%	0.799	S	S	*	*			trans	115.2	114.2	148.7	0	0	0	0	0	120
276	S	29.5	Very low	29.7	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	80%	0.798	S	S	*	*			trans	-18.3	164.7	147.1	-68.6	0	0	0	0	120.3
277	E	28.9	Very low	29.6	Very low	182 Å²	182	131.6 Å²	131.6	85%	0.85	80%	0.796	S	S	*	*			cis	-168	164.1	-7.9	-106.9	166.1	111.6	0	0	108.7
278	G	28.6	Very low	29.4	Very low	76 Å²	76	134.9 Å²	134.9	78%	0.784	79%	0.792	S	S	*	*			trans	169.2	111.8	171	0	0	0	0	0	118.5
279	L	27.9	Very low	29.1	Very low	143 Å²	143	139.7 Å²	139.7	75%	0.749	79%	0.794	S	S	*	*			trans	-63.2	142.5	-172.8	-85.4	62.9	0	0	0	118.9
280	Q	28.6	Very low	29.2	Very low	145 Å²	145	140.7 Å²	140.7	68%	0.678	79%	0.794	S	S	*	*				52.8	156.5	124.9	-53.2	-177.1	34.6	0	0	121
281	K	27.8	Very low	29.1	Very low	178 Å²	178	142.2 Å²	142.2	77%	0.774	80%	0.797	S	S	*	*			cis	-163.6	150.5	15.7	-143.8	166.5	-173.1	161.3	0	114.3
282	A	25.2	Very low	29.1	Very low	94 Å²	94	138.8 Å²	138.8	78%	0.777	80%	0.799	S	S	*	*			trans	63.6	157.4	148.1	0	0	0	0	0	123
283	S	26.6	Very low	29	Very low	117 Å²	117	133.7 Å²	133.7	82%	0.818	80%	0.796	S	S	*	*			trans	-132.9	176.5	177.8	-41.1	0	0	0	0	109.4
284	P	41.3	Very low	28.5	Very low	133 Å²	133	133 Å²	133	86%	0.864	80%	0.801	S	S	*	*				-144.4	-175.9	69.4	35.9	-14	0	0	0	116.5
285	N	29.7	Very low	28.5	Very low	146 Å²	146	132.8 Å²	132.8	78%	0.781	80%	0.799	S	S	*	*			trans	-93.5	174.2	-171.5	-138.5	-18.4	0	0	0	111.7
286	P	44.3	Very low	28.7	Very low	106 Å²	106	135.5 Å²	135.5	69%	0.688	80%	0.799	S	S	*	*				-152.3	163.9	59.5	41.9	-20.7	0	0	0	120.3
287	Q	27.5	Very low	28.4	Very low	157 Å²	157	137.6 Å²	137.6	73%	0.734	80%	0.801	S	S	*	*			trans	77	140.9	164.6	-37.9	-163.4	9.3	0	0	116.9
288	R	26.4	Very low	28.3	Very low	196 Å²	196	139.6 Å²	139.6	74%	0.74	80%	0.801	S	S	*	*			cis	-166.3	125.3	22.1	-158.6	-179.2	-154.3	179.5	7.2	114.5
289	R	25.6	Very low	28.1	Very low	226 Å²	226	147 Å²	147	85%	0.853	81%	0.805	S	S	*	*			trans	59.4	151.3	165.6	-61.9	174.6	178.4	168.6	-1.8	116.4
290	V	26.6	Very low	28	Very low	143 Å²	143	146.7 Å²	146.7	87%	0.867	81%	0.81	S	S	*	*			cis	-149.1	170.7	42	166.2	0	0	0	0	111.1
291	H	26.5	Very low	27.9	Very low	190 Å²	190	145.6 Å²	145.6	88%	0.88	82%	0.815	S	S	*	*			trans	-92	152.1	-177.6	-67.2	-98.5	0	0	0	116.4
292	A	26.2	Very low	27.7	Very low	109 Å²	109	141.8 Å²	141.8	90%	0.901	82%	0.817	S	S	*	*			trans	-156	159	140.3	0	0	0	0	0	109.4
293	G	26.4	Very low	27.6	Very low	77 Å²	77	144.1 Å²	144.1	79%	0.794	82%	0.821	S	S	*	*			trans	-163.8	167.5	-175.5	0	0	0	0	0	116.9
294	A	26.9	Very low	27.5	Very low	110 Å²	110	143.7 Å²	143.7	91%	0.909	82%	0.818	S	S	*	*			trans	-48.7	169.7	-177.8	0	0	0	0	0	117.3
295	G	24.8	Very low	27	Very low	75 Å²	75	143.5 Å²	143.5	77%	0.773	82%	0.817	S	S	*	*			cis	160.2	155.9	-4	0	0	0	0	0	114.1
296	V	26.8	Very low	26.7	Very low	138 Å²	138	140.2 Å²	140.2	84%	0.836	82%	0.817	S	S	*	*			trans	-40.7	145.6	-178.9	172.5	0	0	0	0	117.2
297	L	23.7	Very low	25.8	Very low	148 Å²	148	141.2 Å²	141.2	78%	0.775	83%	0.827	S	S	*	*			trans	-174.2	154.8	131	-106.3	174	0	0	0	118
298	R	26.3	Very low	25.8	Very low	224 Å²	224	138.3 Å²	138.3	85%	0.845	83%	0.83	S	S	*	*			trans	87.5	143.4	161.4	-64.6	-83.9	161.8	91.5	-3.6	120.7
299	R	25.8	Very low	25.9	Very low	231 Å²	231	138.2 Å²	138.2	87%	0.872	84%	0.838	S	S	*	*			trans	-143.2	164.8	178.7	-101.7	-173.3	175.4	177.1	-2.2	108.4
300	T	24.6	Very low	26	Very low	138 Å²	138	136.6 Å²	136.6	85%	0.847	84%	0.84	S	S	*	*			trans	124.9	153.2	159.4	54.3	0	0	0	0	113.6
301	P	27.7	Very low	25.9	Very low	122 Å²	122	137.8 Å²	137.8	79%	0.792	84%	0.841	S	S	*	*			cis	-123.2	-172.8	-36.6	37.9	-23.2	0	0	0	111.5
302	A	22.5	Very low	25.9	Very low	98 Å²	98	135.9 Å²	135.9	81%	0.81	84%	0.838	S	S	*	*			trans	-105.1	165.3	176.3	0	0	0	0	0	112.7
303	V	24.1	Very low	25.8	Very low	142 Å²	142	138.7 Å²	138.7	86%	0.861	83%	0.834	S	S	*	*			trans	-135.8	133.8	171.7	-178.1	0	0	0	0	108.5
304	S	24.7	Very low	25.7	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	84%	0.837	S	S	*	*			trans	-81.9	154.5	179.8	-52.9	0	0	0	0	112.6
305	P	30	Very low	25.6	Very low	129 Å²	129	142.4 Å²	142.4	84%	0.838	83%	0.83	S	S	*	*				-116.9	174.3	104.2	-3.6	23.9	0	0	0	111.2
306	G	22.5	Very low	25.5	Very low	76 Å²	76	147 Å²	147	78%	0.784	84%	0.835	S	S	*	*			cis	130	113.5	6.4	0	0	0	0	0	109.3
307	S	26.3	Very low	25.4	Very low	128 Å²	128	150.3 Å²	150.3	90%	0.895	83%	0.834	S	S	*	*			trans	-86.8	131.1	-169.3	52.3	0	0	0	0	113.4
308	A	26.8	Very low	25.5	Very low	96 Å²	96	148.8 Å²	148.8	79%	0.793	83%	0.83	S	S	*	*			trans	-149.2	133.6	155.3	0	0	0	0	0	108.5
309	E	28.8	Very low	25.5	Very low	194 Å²	194	143.5 Å²	143.5	91%	0.907	83%	0.825	S	S	*	*			trans	-99.7	133.7	164.9	-62.8	175.2	131.1	0	0	106.8
310	E	27.2	Very low	25.3	Very low	191 Å²	191	141 Å²	141	89%	0.893	82%	0.823	S	S	*	*			trans	-151.2	122	169.1	-115.4	160.6	-151.8	0	0	108.6
311	D	26	Very low	25.2	Very low	168 Å²	168	141.2 Å²	141.2	90%	0.898	82%	0.824	S	S	*	*			trans	-68.4	143.5	167.6	-86.5	-54.7	0	0	0	109.5
312	D	25.1	Very low	24.9	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	82%	0.822	S	S	*	*			trans	-146.2	144.7	143.3	-153.8	-6.1	0	0	0	111.4
313	M	25.4	Very low	25.8	Very low	167 Å²	167	140.8 Å²	140.8	82%	0.823	82%	0.816	S	S	*	*			trans	-129	111.5	-169.5	170.6	162.8	49.8	0	0	110.3
314	M	23.4	Very low	25.7	Very low	173 Å²	173	142 Å²	142	85%	0.852	81%	0.812	S	S	*	*			trans	-115.8	114.6	172.7	-85.2	-69.8	163.5	0	0	111.9
315	A	24.6	Very low	25.6	Very low	92 Å²	92	142.8 Å²	142.8	76%	0.76	81%	0.812	S	S	*	*			trans	-80.6	157.3	170.5	0	0	0	0	0	111.1
316	I	24.1	Very low	25.2	Very low	171 Å²	171	144.5 Å²	144.5	88%	0.877	81%	0.808	S	S	*	*			trans	-120.4	140.7	162.4	-65.7	-177.1	0	0	0	108.5
317	Y	23.9	Very low	25.3	Very low	209 Å²	209	148.1 Å²	148.1	82%	0.82	81%	0.809	S	S	*	*			trans	-89.1	150.3	-156.8	-165.5	-95.7	0	0	0	113.3
318	V	25.9	Very low	25.1	Very low	115 Å²	115	150 Å²	150	70%	0.697	80%	0.804	S	S	*	*			trans	-110.7	129.6	173.7	176.8	0	0	0	0	109.5
319	P	25.5	Very low	24.8	Very low	114 Å²	114	150.3 Å²	150.3	74%	0.74	80%	0.8	S	S	*	*			trans	-95.8	115.7	164.5	4.8	15.4	0	0	0	110.9
320	E	21.6	Very low	24.5	Very low	177 Å²	177	148 Å²	148	83%	0.827	79%	0.787	S	S	*	*			trans	-86.7	148.1	161.5	-71.6	-171.5	127.4	0	0	111.1
321	V	22.2	Very low	24.3	Very low	144 Å²	144	147.6 Å²	147.6	87%	0.873	78%	0.779	S	S	*	*			trans	-143.9	140.5	150.2	-173.5	0	0	0	0	108.7
322	S	21.7	Very low	24.1	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	78%	0.775	S	S	*	*			trans	-165.8	172.8	178.7	-76.6	0	0	0	0	108.8
323	P	41.4	Very low	24.1	Very low	104 Å²	104	143.9 Å²	143.9	68%	0.675	77%	0.773	S	S	*	*			cis	-97.6	-142.6	-6.9	28	-8	0	0	0	109.7
324	E	22.2	Very low	24.1	Very low	167 Å²	167	142.5 Å²	142.5	78%	0.78	77%	0.774	S	S	*	*			cis	-157.4	-176.3	3.4	-150	129.9	-106.1	0	0	106.6
325	V	24.1	Very low	24	Very low	125 Å²	125	140.8 Å²	140.8	76%	0.758	77%	0.768	S	S	*	*			cis	-145.8	176.8	18.9	-168.7	0	0	0	0	109.5
326	E	21.6	Very low	24	Very low	165 Å²	165	141.3 Å²	141.3	77%	0.771	77%	0.766	S	S	*	*			trans	-53.2	160.6	164.7	-53.5	177.7	121.9	0	0	113.2
327	L	23	Very low	24	Very low	153 Å²	153	137.6 Å²	137.6	80%	0.801	76%	0.755	S	S	*	*				-163.7	-171.2	50.7	-137.8	127.2	0	0	0	113.2
328	Q	21.7	Very low	24.1	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	75%	0.754	S	S	*	*			trans	-97.6	158.1	-170	-59.3	173.8	-31.6	0	0	115.7
329	S	22.4	Very low	24.1	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	75%	0.752	S	S	*	*			trans	74.9	167.9	151.5	85.9	0	0	0	0	117.3
330	F	22.1	Very low	24.1	Very low	145 Å²	145	137.2 Å²	137.2	64%	0.636	76%	0.755	S	S	*	*			cis	-166.1	158.6	4.2	-130	-36	0	0	0	110.1
331	Y	23	Very low	24.2	Very low	183 Å²	183	135 Å²	135	72%	0.718	75%	0.748	S	S	*	*			trans	65.1	165.8	161.8	-44.2	-48.7	0	0	0	117.7
332	T	22	Very low	24.4	Very low	132 Å²	132	134.9 Å²	134.9	81%	0.81	74%	0.743	S	S	*	*			cis	-155.9	164	-22.4	15	0	0	0	0	112.2
333	S	23.6	Very low	24.5	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	75%	0.75	S	S	*	*			trans	-54.1	145.4	174.7	-34.7	0	0	0	0	119.3
334	T	25.7	Very low	23.8	Very low	137 Å²	137	140.3 Å²	140.3	84%	0.84	76%	0.757	S	S	*	*				-162.7	133.3	128.2	25.9	0	0	0	0	106.5
335	D	22.6	Very low	24.1	Very low	138 Å²	138	138.2 Å²	138.2	74%	0.738	76%	0.758	S	S	*	*			cis	93.7	121.7	32.4	-164.3	4.1	0	0	0	114
336	S	24.6	Very low	24.1	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	76%	0.759	S	S	*	*			trans	64.2	158.6	165.3	-69.4	0	0	0	0	119.1
337	S	22.5	Very low	24.1	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	76%	0.761	S	S	*	*			cis	-168.9	160	-31.3	66	0	0	0	0	110.8
338	L	26.5	Very low	24.2	Very low	153 Å²	153	142.8 Å²	142.8	80%	0.801	76%	0.761	S	S	*	*			trans	68.3	120.6	154	-64.3	167.9	0	0	0	122.2
339	V	25.7	Very low	24.4	Very low	107 Å²	107	142.9 Å²	142.9	65%	0.648	76%	0.762	S	S	*	*				83.1	121	124.6	173.7	0	0	0	0	122
340	Q	25.8	Very low	24.4	Very low	171 Å²	171	146.3 Å²	146.3	80%	0.799	77%	0.767	S	S	*	*			trans	63	154.8	156.1	-76.4	160.6	-30.5	0	0	118.1
341	D	24.9	Very low	24.6	Very low	129 Å²	129	144 Å²	144	69%	0.69	77%	0.774	S	S	*	*			cis	-139.9	-167.7	9.2	-142.9	-47	0	0	0	112.6
342	N	24.4	Very low	24.6	Very low	142 Å²	142	138.4 Å²	138.4	76%	0.759	77%	0.773	S	S	*	*			trans	-66	143.9	177.7	-66	-91.8	0	0	0	113.6
343	E	25.4	Very low	24.8	Very low	192 Å²	192	140 Å²	140	90%	0.897	77%	0.774	S	S	*	*				-170.5	167.4	116.5	-108.9	-173.7	161.3	0	0	113
344	T	26.1	Very low	24.7	Very low	133 Å²	133	142.5 Å²	142.5	82%	0.816	78%	0.779	S	S	*	*			trans	-114.5	138.4	179.5	57.1	0	0	0	0	112.6
345	P	28.8	Very low	24.9	Very low	124 Å²	124	140.3 Å²	140.3	81%	0.805	77%	0.769	S	S	*	*			trans	-107.9	151.4	152.7	33.5	-25.6	0	0	0	112.4
346	K	23	Very low	25.3	Very low	181 Å²	181	141.6 Å²	141.6	79%	0.787	77%	0.773	S	S	*	*			trans	-108	161.7	168.8	-69.4	177.6	177.4	174.2	0	109.6
347	F	22.6	Very low	25.6	Very low	184 Å²	184	143 Å²	143	81%	0.807	77%	0.772	S	S	*	*			trans	65.9	153.7	176.1	-64.6	-82.5	0	0	0	112.8
348	Q	24.1	Very low	26.2	Very low	173 Å²	173	145.6 Å²	145.6	81%	0.808	78%	0.779	S	S	*	*			cis	-114.2	162.1	19.1	-84.8	143.5	-77.5	0	0	115.7
349	Q	25.9	Very low	26.4	Very low	169 Å²	169	146 Å²	146	79%	0.79	78%	0.777	S	S	*	*			trans	-111	118.8	166.8	167	-177.5	-14.9	0	0	106.4
350	E	23.2	Very low	26.7	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	78%	0.78	S	S	*	*			trans	-119.9	128.2	167.9	-66.3	-160.9	159.5	0	0	109.7
351	A	25.4	Very low	26.8	Very low	95 Å²	95	147.3 Å²	147.3	79%	0.785	78%	0.78	S	S	*	*			trans	-145.9	134	175	0	0	0	0	0	107.6
352	G	24.3	Very low	27.1	Very low	67 Å²	67	145.8 Å²	145.8	69%	0.691	78%	0.78	S	S	*	*			trans	115.3	160.3	-171.9	0	0	0	0	0	112
353	I	25.7	Very low	27.2	Very low	164 Å²	164	146.5 Å²	146.5	84%	0.841	78%	0.784	S	S	*	*			cis	-157.4	160.9	-14.4	28.8	171.5	0	0	0	106.6
354	D	22.4	Very low	27.4	Very low	163 Å²	163	142.3 Å²	142.3	87%	0.872	78%	0.775	S	S	*	*			trans	-147.7	144.2	138	-136.5	-16.3	0	0	0	110
355	S	28.1	Very low	27.7	Very low	91 Å²	91	143.9 Å²	143.9	64%	0.636	77%	0.774	S	S	*	*			trans	-161.2	150.2	-170.5	-175.5	0	0	0	0	110.1
356	M	30.8	Very low	28.2	Very low	165 Å²	165	143.2 Å²	143.2	81%	0.813	77%	0.769	S	S	*	*			trans	-136.2	116.5	165.8	-77.1	178.2	163.8	0	0	108.9
357	D	32.4	Very low	28.4	Very low	132 Å²	132	142.7 Å²	142.7	71%	0.706	77%	0.769	S	S	*	*				51	135.5	110.3	-42.2	-20.5	0	0	0	117.9
358	D	34.1	Very low	28.6	Very low	147 Å²	147	139.9 Å²	139.9	79%	0.786	77%	0.773	S	S	*	*			cis	-148.2	-167.2	2.6	-137.1	-9.6	0	0	0	108.3
359	E	31.2	Very low	28.8	Very low	163 Å²	163	140.5 Å²	140.5	76%	0.762	78%	0.778	S	S	*	*			cis	-152.1	-160.9	16.5	-149.5	-161.1	113.3	0	0	110.6
360	H	31.5	Very low	28.9	Very low	154 Å²	154	136.7 Å²	136.7	71%	0.713	78%	0.775	S	S	*	*			trans	-64.4	165.2	172.7	-87.9	-92.8	0	0	0	113.5
361	D	27.7	Very low	29.1	Very low	150 Å²	150	136.8 Å²	136.8	80%	0.802	78%	0.775	S	S	*	*			cis	-157	177.6	43.3	-153.5	-3.3	0	0	0	114.5
362	S	32.1	Very low	29.2	Very low	98 Å²	98	138.9 Å²	138.9	69%	0.685	77%	0.772	S	S	*	*			trans	-105.5	147.5	-174.9	-52.8	0	0	0	0	114
363	D	26.7	Very low	29.3	Very low	157 Å²	157	143.9 Å²	143.9	84%	0.84	78%	0.777	S	S	*	*				-165.7	168.7	118.1	-134.9	-29	0	0	0	114.7
364	S	29	Very low	29.2	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	78%	0.777	S	S	*	*			trans	-62.7	148.7	-163.3	-52.1	0	0	0	0	120.2
365	E	32	Very low	29.3	Very low	167 Å²	167	141.8 Å²	141.8	78%	0.78	77%	0.773	S	S	*	*			trans	-51.3	161.7	146.2	-83.9	-79.8	149.2	0	0	111.7
366	P	40.1	Very low	29.1	Very low	109 Å²	109	144 Å²	144	71%	0.708	78%	0.783	S	S	*	*			cis	-155.6	171.3	49.7	43.2	-21.2	0	0	0	121.1
367	E	27.9	Very low	28.9	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.794	79%	0.785	S	S	*	*			trans	49.9	125.7	143	-73.5	-171.3	152.6	0	0	122
368	S	26.5	Very low	28.5	Very low	125 Å²	125	148.7 Å²	148.7	87%	0.874	80%	0.795	S	S	*	*				178.2	167.8	103.5	46.5	0	0	0	0	113.6
369	M	28	Very low	28.3	Very low	187 Å²	187	151.2 Å²	151.2	92%	0.921	79%	0.794	S	S	*	*			trans	-93.7	145	-177.1	-62.2	174.2	-85.7	0	0	112.8
370	A	27.9	Very low	28.2	Very low	88 Å²	88	148.8 Å²	148.8	73%	0.727	79%	0.792	S	S	*	*				168.8	126.7	118.7	0	0	0	0	0	116.4
371	Q	28	Very low	28.3	Very low	177 Å²	177	146.8 Å²	146.8	83%	0.827	79%	0.793	S	S	*	*				62.2	140.8	129.4	-66.3	-172	-5.6	0	0	125.1
372	I	26.2	Very low	28.5	Very low	140 Å²	140	145 Å²	145	72%	0.718	78%	0.783	S	S	*	*			trans	81.4	91	147	-65.9	157.5	0	0	0	119.8
373	Q	26.1	Very low	28.3	Very low	171 Å²	171	147 Å²	147	80%	0.799	79%	0.791	S	S	*	*				53	139.2	118.7	-87.2	-176.6	3	0	0	124.7
374	T	24.2	Very low	28.5	Very low	136 Å²	136	150.3 Å²	150.3	83%	0.834	79%	0.792	S	S	*	*			trans	97.4	138.8	148.5	58	0	0	0	0	122.6
375	N	24.7	Very low	28.5	Very low	148 Å²	148	150.9 Å²	150.9	79%	0.791	80%	0.796	S	S	*	*			trans	-61.6	143.9	-173.8	-58.8	-40.7	0	0	0	115.3
376	T	24.3	Very low	28.5	Very low	137 Å²	137	154.8 Å²	154.8	84%	0.84	80%	0.803	S	S	*	*				-175.2	170.8	97.8	23.9	0	0	0	0	113.3
377	F	26.2	Very low	27.8	Very low	197 Å²	197	153.3 Å²	153.3	86%	0.864	81%	0.808	S	S	*	*			trans	-62	142.8	-174.6	-64.2	-97.7	0	0	0	115
378	H	23.8	Very low	28	Very low	198 Å²	198	157.7 Å²	157.7	92%	0.917	82%	0.817	S	S	*	*			trans	-148.5	157.9	138.9	-119.5	-88.4	0	0	0	111.9
379	R	30.4	Very low	28.2	Very low	200 Å²	200	155.7 Å²	155.7	76%	0.755	82%	0.816	S	S	*	*			trans	-134.4	134.6	-168.9	-179.3	-158.2	-165.8	-178	10.8	111.6
380	P	29.4	Very low	28.6	Very low	112 Å²	112	150.4 Å²	150.4	73%	0.727	81%	0.81	S	S	*	*			trans	-137.4	178.6	145.3	40.1	-26.4	0	0	0	112
381	P	33.3	Very low	29.3	Very low	112 Å²	112	154.7 Å²	154.7	73%	0.727	82%	0.817	S	S	*	*				-122.3	173.9	-57.5	37	-25.1	0	0	0	111.6
382	L	31	Very low	29.9	Very low	113 Å²	113	155.5 Å²	155.5	59%	0.592	82%	0.82	S	S	*	*			trans	-84.5	133.6	168.4	-83.3	79.5	0	0	0	110.8
383	V	29.6	Very low	31	Very low	141 Å²	141	160.7 Å²	160.7	86%	0.855	83%	0.831	S	S	*	*			trans	-117.1	117.1	149.6	179.1	0	0	0	0	108.1
384	R	30.1	Very low	31.6	Very low	226 Å²	226	160.1 Å²	160.1	85%	0.853	83%	0.83	S	S	*	*			trans	-94.2	108.8	172	-86.5	178.6	165.2	163.9	-4.6	109.3
385	S	29.6	Very low	32.5	Very low	115 Å²	115	156.9 Å²	156.9	80%	0.804	81%	0.813	S	S	*	*			trans	-95.9	144.5	153.7	-171.1	0	0	0	0	109.9
386	R	30.4	Very low	33.2	Very low	249 Å²	249	155.9 Å²	155.9	94%	0.94	80%	0.803	S	S	*	*			trans	-108.8	117.6	177.4	-79.1	172.2	159.8	172.3	-6.7	108.7
387	G	26.9	Very low	33.9	Very low	78 Å²	78	152.4 Å²	152.4	80%	0.804	79%	0.789	S	S	*	*			trans	-156.1	112	173.4	0	0	0	0	0	111.1
388	R	31.6	Very low	34.6	Very low	262 Å²	262	149.5 Å²	149.5	99%	0.989	78%	0.776	S	S	*	*			trans	-69.9	137.2	-175.9	-70.5	171	164.5	-131.3	0.3	111.4
389	G	30.2	Very low	35.6	Very low	82 Å²	82	143.7 Å²	143.7	85%	0.845	75%	0.754	S	S	*	*			trans	179	7.8	170.2	0	0	0	0	0	116.9
390	G	36.6	Very low	36.2	Very low	77 Å²	77	135 Å²	135	79%	0.794	72%	0.724	S	S	*	*			trans	-101.1	105.5	-170.6	0	0	0	0	0	114.4
391	M	43.2	Very low	37.2	Very low	178 Å²	178	137.7 Å²	137.7	88%	0.877	72%	0.724	S	S	*	*			trans	-172.6	70.2	150.5	-109.8	-179.1	77.1	0	0	111.9
392	H	41.1	Very low	38.2	Very low	193 Å²	193	141.1 Å²	141.1	89%	0.894	73%	0.728	S	S	*	*	S	Bend	trans	-164.3	37.1	158.3	-101.9	-54.7	0	0	0	114.8
393	R	47.8	Very low	39.9	Very low	250 Å²	250	136.3 Å²	136.3	94%	0.943	71%	0.705	S	S	*	*			trans	-129.2	65.6	162.2	-69.6	-167.5	-173.7	-174.1	3.7	110.3	S395	R393-S395 PolarHBondContact O-N 3.47Å
394	M	38.9	Very low	41.9	Very low	158 Å²	158	131.8 Å²	131.8	78%	0.778	68%	0.678	S	S	*	*			trans	-70.8	116.3	166	-66.8	-173.7	74.7	0	0	107.6
395	S	43.6	Very low	44	Very low	68 Å²	68	123.4 Å²	123.4	48%	0.476	65%	0.651	S	S	.	*			trans	-57.5	142.7	179	164.9	0	0	0	0	110.8	R393 A397 F398	R393-S395 PolarHBondContact O-N 3.47Å; S395-A397 PolarHBondContact O-N 3.37Å; S395-A397 PolarHBondContact OG-N 2.99Å; S395-F398 WeakPolarHBondContact O-CB 3.49Å; S395-F398 PolarHBondContact O-N 3.06Å
396	E	39.2	Very low	46.5	Very low	127 Å²	127	123.3 Å²	123.3	59%	0.593	64%	0.636	S	S	*	*	H	α-helix	trans	-56.6	-25.6	-179.3	-159.8	178.5	172.5	0	0	112.9	F398 V399 R410	E396-F398 VanDerWaalsContact C-N 3.33Å; E396-F398 PolarHBondContact O-N 2.86Å; E396-V399 PolarHBondContact O-N 3.47Å; E396-R410 IonicContact OE1-CZ 3.68Å; E396-R410 IonicContact OE1-NH1 3.57Å; E396-R410 IonicContact OE1-NH2 2.6Å; E396-R410 PolarHBondContact OE1-NH2 3.31Å
397	A	40.3	Very low	49	Very low	65 Å²	65	115.7 Å²	115.7	54%	0.537	61%	0.607	S	S	.	*	H	α-helix	trans	-62	-34.5	172.7	0	0	0	0	0	113.4	S395 V399 C400	S395-A397 PolarHBondContact O-N 3.37Å; S395-A397 PolarHBondContact OG-N 2.99Å; A397-V399 VanDerWaalsContact C-N 3.32Å; A397-V399 PolarHBondContact O-N 3.2Å; A397-C400 PolarHBondContact O-N 2.67Å
398	F	40.6	Very low	51.9	Low	135 Å²	135	112 Å²	112	59%	0.592	57%	0.568	S	S	*	*	H	α-helix	trans	-69.3	-29.9	177.6	-82.2	-93.2	0	0	0	112.3	S395 E396 C400 F401	S395-F398 WeakPolarHBondContact O-CB 3.49Å; S395-F398 PolarHBondContact O-N 3.06Å; E396-F398 VanDerWaalsContact C-N 3.33Å; E396-F398 PolarHBondContact O-N 2.86Å; F398-C400 VanDerWaalsContact C-N 3.34Å; F398-F401 WeakPolarHBondContact O-CB 3.29Å; F398-F401 PolarHBondContact O-N 3.26Å
399	V	45.1	Very low	54.6	Low	76 Å²	76	100.6 Å²	100.6	46%	0.461	53%	0.528	S	S	.	.	H	α-helix	trans	-67.9	-36.5	177.2	-176.8	0	0	0	0	110.8	E396 A397 F401 F402 A403	E396-V399 PolarHBondContact O-N 3.47Å; A397-V399 VanDerWaalsContact C-N 3.32Å; A397-V399 PolarHBondContact O-N 3.2Å; V399-F401 PolarHBondContact O-N 2.9Å; V399-F402 PolarHBondContact O-N 3.32Å; V399-F402 VanDerWaalsContact O-N 3.16Å; V399-A403 WeakPolarHBondContact O-CB 3.46Å; V399-A403 PolarHBondContact O-N 2.92Å; V399-A403 VanDerWaalsContact O-N 3.11Å
400	C	42.8	Very low	57.4	Low	19 Å²	19	101 Å²	101	13%	0.128	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.4	174.6	-87.1	0	0	0	0	114.7	A397 F398 R407	A397-C400 PolarHBondContact O-N 2.67Å; F398-C400 VanDerWaalsContact C-N 3.34Å; C400-R407 HydrophobicContact CB-CB 4.21Å; C400-R407 HydrophobicContact CB-CG 4.48Å
401	F	49.4	Very low	60	Low	167 Å²	167	99 Å²	99	73%	0.732	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.4	173.8	-138.4	-83	0	0	0	112.8	F398 V399	F398-F401 WeakPolarHBondContact O-CB 3.29Å; F398-F401 PolarHBondContact O-N 3.26Å; V399-F401 PolarHBondContact O-N 2.9Å
402	F	53.9	Low	62.3	Low	185 Å²	185	90.6 Å²	90.6	81%	0.811	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-1.4	178.5	-66	-83.3	0	0	0	113.5	V399	V399-F402 PolarHBondContact O-N 3.32Å; V399-F402 VanDerWaalsContact O-N 3.16Å
403	A	66.9	Low	64.8	Low	12 Å²	12	82.7 Å²	82.7	10%	0.099	40%	0.397	C	S	.	.			trans	-124.9	79.5	178.3	0	0	0	0	0	110.6	V399 D405 K406 R407	V399-A403 WeakPolarHBondContact O-CB 3.46Å; V399-A403 PolarHBondContact O-N 2.92Å; V399-A403 VanDerWaalsContact O-N 3.11Å; A403-D405 VanDerWaalsContact C-N 3.29Å; A403-D405 PolarHBondContact O-N 2.78Å; A403-K406 HydrophobicContact CB-CB 4.01Å; A403-K406 HydrophobicContact CB-CD 3.85Å; A403-K406 HydrophobicContact CB-CG 4.03Å; A403-K406 PolarHBondContact O-N 3.11Å; A403-R407 PolarHBondContact O-N 3Å
404	P	70.9	Confident	66.9	Low	45 Å²	45	75.7 Å²	75.7	29%	0.292	38%	0.375	S	S	.	.	H	α-helix	trans	-62.1	-34.9	-174.8	22.6	-32.8	0	0	0	113.3	R407 L408 L472 V473	P404-R407 PolarHBondContact O-N 2.97Å; P404-L408 PolarHBondContact O-N 3.35Å; P404-L472 WeakPolarHBondContact CB-O 3.18Å; P404-V473 HydrophobicContact CB-CG2 4.41Å
405	D	74.5	Confident	69.3	Low	51 Å²	51	69.4 Å²	69.4	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-46.1	175	66.6	-36.8	0	0	0	112	A403 T409	A403-D405 VanDerWaalsContact C-N 3.29Å; A403-D405 PolarHBondContact O-N 2.78Å; D405-T409 WeakPolarHBondContact O-CB 3.33Å; D405-T409 PolarHBondContact O-N 3.31Å; D405-T409 PolarHBondContact O-OG1 2.92Å
406	K	82.8	Confident	71.7	Confident	112 Å²	112	66.3 Å²	66.3	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-68.8	-34.8	177.3	-62.5	-177.2	-172.2	178	0	111.9	A403 R410	A403-K406 HydrophobicContact CB-CB 4.01Å; A403-K406 HydrophobicContact CB-CD 3.85Å; A403-K406 HydrophobicContact CB-CG 4.03Å; A403-K406 PolarHBondContact O-N 3.11Å; K406-R410 WeakPolarHBondContact O-CG 3.36Å; K406-R410 PolarHBondContact O-N 2.72Å; K406-R410 VanDerWaalsContact O-N 3.15Å
407	R	82.2	Confident	74.2	Confident	89 Å²	89	67.3 Å²	67.3	34%	0.336	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-48.5	175.4	-173.9	177.9	174.4	-161	-3.6	111.6	C400 A403 P404 T409 R410 L411 L472	C400-R407 HydrophobicContact CB-CB 4.21Å; C400-R407 HydrophobicContact CB-CG 4.48Å; A403-R407 PolarHBondContact O-N 3Å; P404-R407 PolarHBondContact O-N 2.97Å; R407-T409 VanDerWaalsContact C-N 3.3Å; R407-T409 PolarHBondContact O-N 2.78Å; R407-R410 PolarHBondContact O-N 3.22Å; R407-L411 HydrophobicContact CG-CD1 4.22Å; R407-L411 WeakPolarHBondContact O-CG 3.32Å; R407-L411 PolarHBondContact O-N 3.49Å; R407-L472 HydrophobicContact CG-CD2 4.13Å
408	L	87.8	Confident	76.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-56.3	-46.5	173.5	175	62.1	0	0	0	111	P404 R410 L411 V412 L465 I469 L472 V473 A481 L482	P404-L408 PolarHBondContact O-N 3.35Å; L408-R410 VanDerWaalsContact C-N 3.29Å; L408-R410 PolarHBondContact O-N 3.18Å; L408-L411 PolarHBondContact O-N 3.05Å; L408-V412 HydrophobicContact CD1-CG2 3.79Å; L408-V412 HydrophobicContact CG-CG2 4.31Å; L408-V412 WeakPolarHBondContact O-CG2 3.47Å; L408-V412 PolarHBondContact O-N 3.17Å; L408-L465 HydrophobicContact CD1-CD2 3.36Å; L408-I469 HydrophobicContact CD1-CG1 4.37Å; L408-L472 HydrophobicContact CD1-CD1 4.11Å; L408-V473 HydrophobicContact CB-CG2 4.02Å; L408-V473 HydrophobicContact CD2-CG2 3.77Å; L408-V473 HydrophobicContact CG-CG2 4.48Å; L408-A481 HydrophobicContact CD2-CB 3.73Å; L408-L482 HydrophobicContact CD2-CD2 4.12Å; L408-L482 HydrophobicContact CD2-CG 4.31Å
409	T	89.6	Confident	78.8	Confident	24 Å²	24	66.6 Å²	66.6	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-56.2	-41.1	179.8	-59.2	0	0	0	0	112.6	D405 R407 E413 S488	D405-T409 WeakPolarHBondContact O-CB 3.33Å; D405-T409 PolarHBondContact O-N 3.31Å; D405-T409 PolarHBondContact O-OG1 2.92Å; R407-T409 VanDerWaalsContact C-N 3.3Å; R407-T409 PolarHBondContact O-N 2.78Å; T409-E413 WeakPolarHBondContact O-CB 3.49Å; T409-E413 WeakPolarHBondContact O-CG 3.27Å; T409-E413 PolarHBondContact O-N 2.98Å; T409-S488 VanDerWaalsContact CG2-CB 3.49Å; T409-S488 WeakPolarHBondContact CG2-OG 3.23Å
410	R	89.2	Confident	80.6	Confident	89 Å²	89	72.5 Å²	72.5	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-67.8	-49.8	177.6	-73.4	173.4	-173.2	-160.1	-9.6	112.7	E396 K406 R407 L408 V412 E413 E414	E396-R410 IonicContact OE1-CZ 3.68Å; E396-R410 IonicContact OE1-NH1 3.57Å; E396-R410 IonicContact OE1-NH2 2.6Å; E396-R410 PolarHBondContact OE1-NH2 3.31Å; K406-R410 WeakPolarHBondContact O-CG 3.36Å; K406-R410 PolarHBondContact O-N 2.72Å; K406-R410 VanDerWaalsContact O-N 3.15Å; R407-R410 PolarHBondContact O-N 3.22Å; L408-R410 VanDerWaalsContact C-N 3.29Å; L408-R410 PolarHBondContact O-N 3.18Å; R410-V412 VanDerWaalsContact C-N 3.26Å; R410-V412 PolarHBondContact O-N 3.4Å; R410-E413 CarbonylContact O-C 3.57Å; R410-E413 WeakPolarHBondContact O-CA 3.36Å; R410-E413 WeakPolarHBondContact O-CB 3.5Å; R410-E413 PolarHBondContact O-N 3.45Å; R410-E414 WeakPolarHBondContact O-CG 3.45Å; R410-E414 PolarHBondContact O-N 3.17Å
411	L	89.5	Confident	82.7	Confident	37 Å²	37	72 Å²	72	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-36.5	-179.5	-64.9	168.3	0	0	0	111.6	R407 L408 E414 L415 L465 L472	R407-L411 HydrophobicContact CG-CD1 4.22Å; R407-L411 WeakPolarHBondContact O-CG 3.32Å; R407-L411 PolarHBondContact O-N 3.49Å; L408-L411 PolarHBondContact O-N 3.05Å; L411-E414 PolarHBondContact O-N 3.11Å; L411-L415 WeakPolarHBondContact O-CB 3.39Å; L411-L415 PolarHBondContact O-N 3.12Å; L411-L465 HydrophobicContact CB-CD1 3.67Å; L411-L465 HydrophobicContact CB-CG 4.4Å; L411-L472 HydrophobicContact CD1-CD1 3.74Å; L411-L472 HydrophobicContact CD1-CD2 4.22Å
412	V	92	Very high	84.4	Confident	0 Å²	0	65 Å²	65	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-72.5	-35.2	174.4	175.2	0	0	0	0	112.2	L408 R410 A416 F423 L459 L465 A485 M486	L408-V412 HydrophobicContact CD1-CG2 3.79Å; L408-V412 HydrophobicContact CG-CG2 4.31Å; L408-V412 WeakPolarHBondContact O-CG2 3.47Å; L408-V412 PolarHBondContact O-N 3.17Å; R410-V412 VanDerWaalsContact C-N 3.26Å; R410-V412 PolarHBondContact O-N 3.4Å; V412-A416 WeakPolarHBondContact O-CB 3.48Å; V412-A416 PolarHBondContact O-N 2.79Å; V412-F423 HydrophobicContact CG1-CE1 3.84Å; V412-F423 HydrophobicContact CG1-CZ 3.83Å; V412-L459 HydrophobicContact CG1-CD2 4.01Å; V412-L459 HydrophobicContact CG2-CD1 4.5Å; V412-L459 HydrophobicContact CG2-CD2 3.67Å; V412-L465 HydrophobicContact CG2-CD1 3.83Å; V412-A485 HydrophobicContact CB-CB 3.99Å; V412-A485 HydrophobicContact CG1-CB 3.92Å; V412-A485 HydrophobicContact CG2-CB 4.17Å; V412-M486 HydrophobicContact CG1-CE 3.66Å
413	E	93.1	Very high	86.2	Confident	27 Å²	27	56.1 Å²	56.1	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-33.4	170.9	-86.1	-174.3	-139	0	0	113.4	T409 R410 R417 S488 C489 R492	T409-E413 WeakPolarHBondContact O-CB 3.49Å; T409-E413 WeakPolarHBondContact O-CG 3.27Å; T409-E413 PolarHBondContact O-N 2.98Å; R410-E413 CarbonylContact O-C 3.57Å; R410-E413 WeakPolarHBondContact O-CA 3.36Å; R410-E413 WeakPolarHBondContact O-CB 3.5Å; R410-E413 PolarHBondContact O-N 3.45Å; E413-R417 WeakPolarHBondContact O-CD 3.43Å; E413-R417 VanDerWaalsContact O-CG 3.28Å; E413-R417 WeakPolarHBondContact O-CG 3.46Å; E413-R417 PolarHBondContact O-N 3.13Å; E413-R417 PolarHBondContact O-NE 3.33Å; E413-R417 PolarHBondContact O-NH1 3.26Å; E413-R417 IonicContact OE2-CZ 3.61Å; E413-R417 IonicContact OE2-NH1 2.61Å; E413-R417 IonicContact OE2-NH2 3.88Å; E413-R417 PolarHBondContact OE2-NH2 3Å; E413-S488 WeakPolarHBondContact OE1-CB 3.42Å; E413-S488 PolarHBondContact OE1-OG 3.31Å; E413-C489 HydrophobicContact CG-CB 4.15Å; E413-R492 IonicContact OE1-CZ 2.81Å; E413-R492 IonicContact OE1-NH1 2.68Å; E413-R492 PolarHBondContact OE1-NH1 3.45Å; E413-R492 IonicContact OE1-NH2 3.21Å; E413-R492 IonicContact OE2-NH1 3.51Å
414	E	91.8	Very high	87.3	Confident	104 Å²	104	55.6 Å²	55.6	49%	0.486	24%	0.244	S	C	.	.	H	α-helix	trans	-70.4	-48.7	175.2	-74.1	156.1	-158	0	0	110.3	R410 L411 A416 R417 D418	R410-E414 WeakPolarHBondContact O-CG 3.45Å; R410-E414 PolarHBondContact O-N 3.17Å; L411-E414 PolarHBondContact O-N 3.11Å; E414-A416 VanDerWaalsContact C-N 3.32Å; E414-A416 PolarHBondContact O-N 3.37Å; E414-R417 WeakPolarHBondContact O-CB 3.47Å; E414-R417 PolarHBondContact O-N 2.84Å; E414-D418 PolarHBondContact O-N 2.53Å
415	L	91	Very high	88.2	Confident	25 Å²	25	53.9 Å²	53.9	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-39.7	173.6	-167.5	70.4	0	0	0	112	L411 R417 D418 S421 F423 G424 L459 E464	L411-L415 WeakPolarHBondContact O-CB 3.39Å; L411-L415 PolarHBondContact O-N 3.12Å; L415-R417 PolarHBondContact O-N 3.45Å; L415-R417 VanDerWaalsContact O-N 3.12Å; L415-D418 PolarHBondContact O-N 3.12Å; L415-D418 VanDerWaalsContact O-N 3.11Å; L415-S421 VanDerWaalsContact CD1-CB 3.5Å; L415-S421 PolarHBondContact O-OG 3.23Å; L415-F423 HydrophobicContact CB-CD1 4.22Å; L415-F423 HydrophobicContact CD2-CB 4.02Å; L415-F423 HydrophobicContact CD2-CD1 3.76Å; L415-F423 HydrophobicContact CD2-CG 4.17Å; L415-F423 HydrophobicContact CG-CB 4.41Å; L415-F423 HydrophobicContact CG-CD1 3.89Å; L415-G424 VanDerWaalsContact O-CA 3.27Å; L415-G424 WeakPolarHBondContact O-CA 3.48Å; L415-L459 HydrophobicContact CD2-CD1 3.69Å; L415-E464 HydrophobicContact CD1-CB 3.97Å; L415-E464 HydrophobicContact CD2-CB 3.87Å
416	A	92.9	Very high	89	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.033	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.2	175.2	0	0	0	0	0	114.3	V412 E414 F423 V427 Q428 C489	V412-A416 WeakPolarHBondContact O-CB 3.48Å; V412-A416 PolarHBondContact O-N 2.79Å; E414-A416 VanDerWaalsContact C-N 3.32Å; E414-A416 PolarHBondContact O-N 3.37Å; A416-F423 HydrophobicContact CB-CE1 3.87Å; A416-V427 HydrophobicContact CB-CG1 4.2Å; A416-Q428 PolarHBondContact O-NE2 3.34Å; A416-C489 HydrophobicContact CB-CB 3.62Å
417	R	91.9	Very high	89.4	Confident	147 Å²	147	48.4 Å²	48.4	56%	0.555	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-22.7	176.5	-68.3	163.2	-172.1	129.4	10.8	112.4	E413 E414 L415 R419	E413-R417 WeakPolarHBondContact O-CD 3.43Å; E413-R417 VanDerWaalsContact O-CG 3.28Å; E413-R417 WeakPolarHBondContact O-CG 3.46Å; E413-R417 PolarHBondContact O-N 3.13Å; E413-R417 PolarHBondContact O-NE 3.33Å; E413-R417 PolarHBondContact O-NH1 3.26Å; E413-R417 IonicContact OE2-CZ 3.61Å; E413-R417 IonicContact OE2-NH1 2.61Å; E413-R417 IonicContact OE2-NH2 3.88Å; E413-R417 PolarHBondContact OE2-NH2 3Å; E414-R417 WeakPolarHBondContact O-CB 3.47Å; E414-R417 PolarHBondContact O-N 2.84Å; L415-R417 PolarHBondContact O-N 3.45Å; L415-R417 VanDerWaalsContact O-N 3.12Å; R417-R419 PolarHBondContact O-N 3.37Å
418	D	90.3	Very high	89.9	Confident	69 Å²	69	46.9 Å²	46.9	37%	0.369	21%	0.207	S	C	.	.			trans	-83.5	102.2	179.1	-177.6	18.1	0	0	0	112	E414 L415 R420 S421 G424	E414-D418 PolarHBondContact O-N 2.53Å; L415-D418 PolarHBondContact O-N 3.12Å; L415-D418 VanDerWaalsContact O-N 3.11Å; D418-R420 PolarHBondContact O-N 2.91Å; D418-R420 VanDerWaalsContact O-N 3.11Å; D418-R420 VanDerWaalsContact OD1-CB 3.27Å; D418-R420 WeakPolarHBondContact OD1-CB 3.37Å; D418-R420 WeakPolarHBondContact OD1-CG 3.44Å; D418-R420 PolarHBondContact OD1-N 2.95Å; D418-S421 PolarHBondContact O-N 3.07Å; D418-S421 VanDerWaalsContact O-N 3.13Å; D418-S421 PolarHBondContact O-OG 3.45Å; D418-G424 WeakPolarHBondContact O-CA 3.22Å
419	R	87.8	Confident	90	Very high	117 Å²	117	50.4 Å²	50.4	44%	0.442	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.7	172.7	-87.6	-167.8	164.6	-81.5	5.7	114.6	R417 Q428 D429 Q432	R417-R419 PolarHBondContact O-N 3.37Å; R419-Q428 HydrophobicContact CG-CB 3.92Å; R419-Q428 HydrophobicContact CG-CG 3.91Å; R419-D429 IonicContact CZ-OD1 2.69Å; R419-D429 IonicContact NH1-OD1 2.63Å; R419-D429 PolarHBondContact NH1-OD1 2.92Å; R419-D429 IonicContact NH1-OD2 2.65Å; R419-D429 IonicContact NH2-OD1 3.49Å; R419-D429 PolarHBondContact NH2-OD1 3.15Å; R419-Q432 VanDerWaalsContact NH2-OE1 3.13Å
420	R	82.6	Confident	90	Very high	199 Å²	199	50.3 Å²	50.3	75%	0.751	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-23.3	175.3	-57.1	177.3	176.2	-162.9	-1.9	112.9	D418 Q702	D418-R420 PolarHBondContact O-N 2.91Å; D418-R420 VanDerWaalsContact O-N 3.11Å; D418-R420 VanDerWaalsContact OD1-CB 3.27Å; D418-R420 WeakPolarHBondContact OD1-CB 3.37Å; D418-R420 WeakPolarHBondContact OD1-CG 3.44Å; D418-R420 PolarHBondContact OD1-N 2.95Å; R420-Q702 PolarHBondContact O-NE2 3.45Å; R420-Q702 VanDerWaalsContact O-NE2 3.12Å
421	S	86.9	Confident	90	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	22%	0.215	C	C	.	.	S	Bend	trans	-77.6	148.1	172.4	73	0	0	0	0	111.2	L415 D418 F423 G424 G425 E464	L415-S421 VanDerWaalsContact CD1-CB 3.5Å; L415-S421 PolarHBondContact O-OG 3.23Å; D418-S421 PolarHBondContact O-N 3.07Å; D418-S421 VanDerWaalsContact O-N 3.13Å; D418-S421 PolarHBondContact O-OG 3.45Å; S421-F423 VanDerWaalsContact C-N 3.34Å; S421-G424 PolarHBondContact O-N 3Å; S421-G424 VanDerWaalsContact OG-CA 3.29Å; S421-G424 WeakPolarHBondContact OG-CA 3.44Å; S421-G424 PolarHBondContact OG-N 3.12Å; S421-G425 PolarHBondContact O-N 3.36Å; S421-E464 WeakPolarHBondContact CA-OE1 3.37Å; S421-E464 WeakPolarHBondContact CB-OE1 3.41Å
422	V	85.6	Confident	89.7	Confident	20 Å²	20	51.9 Å²	51.9	12%	0.121	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-45	177.9	177.6	0	0	0	0	110.3	M426 E464 T703 Q705	V422-M426 WeakPolarHBondContact O-CB 3.46Å; V422-M426 PolarHBondContact O-N 3.25Å; V422-E464 PolarHBondContact N-OE1 3.31Å; V422-T703 HydrophobicContact CG2-CG2 4.06Å; V422-T703 WeakPolarHBondContact CG2-O 3.38Å; V422-Q705 HydrophobicContact CG1-CG 3.56Å; V422-Q705 HydrophobicContact CG2-CG 4.33Å
423	F	90.3	Very high	89.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-47	176.9	174.5	-101.6	0	0	0	112.3	V412 L415 A416 S421 M426 V427 A455 L459 E464 M486	V412-F423 HydrophobicContact CG1-CE1 3.84Å; V412-F423 HydrophobicContact CG1-CZ 3.83Å; L415-F423 HydrophobicContact CB-CD1 4.22Å; L415-F423 HydrophobicContact CD2-CB 4.02Å; L415-F423 HydrophobicContact CD2-CD1 3.76Å; L415-F423 HydrophobicContact CD2-CG 4.17Å; L415-F423 HydrophobicContact CG-CB 4.41Å; L415-F423 HydrophobicContact CG-CD1 3.89Å; A416-F423 HydrophobicContact CB-CE1 3.87Å; S421-F423 VanDerWaalsContact C-N 3.34Å; F423-M426 HydrophobicContact CD2-CE 3.73Å; F423-M426 HydrophobicContact CE2-CE 4.19Å; F423-V427 HydrophobicContact CD2-CG2 4.43Å; F423-V427 HydrophobicContact CE1-CG2 4.23Å; F423-V427 HydrophobicContact CE2-CG2 4.02Å; F423-V427 HydrophobicContact CZ-CG2 3.91Å; F423-V427 WeakPolarHBondContact O-CG2 3.27Å; F423-V427 PolarHBondContact O-N 2.92Å; F423-A455 HydrophobicContact CE2-CB 4.1Å; F423-A455 WeakPolarHBondContact CE2-O 3.48Å; F423-L459 HydrophobicContact CD1-CD1 4.38Å; F423-L459 HydrophobicContact CD2-CB 3.81Å; F423-L459 HydrophobicContact CD2-CD1 4.35Å; F423-L459 HydrophobicContact CE2-CB 3.96Å; F423-L459 HydrophobicContact CG-CB 4.48Å; F423-L459 HydrophobicContact CG-CD1 4.23Å; F423-E464 PolarHBondContact N-OE2 3.02Å; F423-M486 HydrophobicContact CE2-CE 3.82Å; F423-M486 HydrophobicContact CE2-SD 4.03Å; F423-M486 HydrophobicContact CZ-CE 3.6Å; F423-M486 HydrophobicContact CZ-SD 4.2Å
424	G	90.7	Very high	88	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-41	-177.4	0	0	0	0	0	113.7	L415 D418 S421 V427 Q428	L415-G424 VanDerWaalsContact O-CA 3.27Å; L415-G424 WeakPolarHBondContact O-CA 3.48Å; D418-G424 WeakPolarHBondContact O-CA 3.22Å; S421-G424 PolarHBondContact O-N 3Å; S421-G424 VanDerWaalsContact OG-CA 3.29Å; S421-G424 WeakPolarHBondContact OG-CA 3.44Å; S421-G424 PolarHBondContact OG-N 3.12Å; G424-V427 PolarHBondContact O-N 3.4Å; G424-Q428 WeakPolarHBondContact O-CB 3.49Å; G424-Q428 VanDerWaalsContact O-CG 3.26Å; G424-Q428 WeakPolarHBondContact O-CG 3.21Å; G424-Q428 PolarHBondContact O-N 3.26Å
425	G	89.4	Confident	86.5	Confident	10 Å²	10	62 Å²	62	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-55.4	-54.1	173	0	0	0	0	0	111.9	S421 V427 Q428 D429	S421-G425 PolarHBondContact O-N 3.36Å; G425-V427 PolarHBondContact O-N 3.02Å; G425-Q428 PolarHBondContact O-N 3.38Å; G425-D429 PolarHBondContact O-N 3.29Å
426	M	90.7	Very high	84.9	Confident	47 Å²	47	67.5 Å²	67.5	23%	0.232	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-41.5	176.9	171.1	-160.8	69	0	0	113.1	V422 F423 F430 F451 A455 C458	V422-M426 WeakPolarHBondContact O-CB 3.46Å; V422-M426 PolarHBondContact O-N 3.25Å; F423-M426 HydrophobicContact CD2-CE 3.73Å; F423-M426 HydrophobicContact CE2-CE 4.19Å; M426-F430 WeakPolarHBondContact O-CB 3.01Å; M426-F430 PolarHBondContact O-N 2.73Å; M426-F430 VanDerWaalsContact O-N 3.13Å; M426-F451 HydrophobicContact CE-CZ 4.4Å; M426-F451 HydrophobicContact CG-CE2 3.82Å; M426-F451 HydrophobicContact CG-CZ 4Å; M426-F451 HydrophobicContact SD-CE2 4.35Å; M426-A455 HydrophobicContact CE-CB 3.73Å; M426-C458 HydrophobicContact CE-CB 3.82Å; M426-C458 HydrophobicContact SD-CB 3.87Å
427	V	92.6	Very high	83.2	Confident	0 Å²	0	74 Å²	74	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68.8	-43.9	176.3	171.5	0	0	0	0	111.8	A416 F423 G424 G425 F430 L431 F451 I490	A416-V427 HydrophobicContact CB-CG1 4.2Å; F423-V427 HydrophobicContact CD2-CG2 4.43Å; F423-V427 HydrophobicContact CE1-CG2 4.23Å; F423-V427 HydrophobicContact CE2-CG2 4.02Å; F423-V427 HydrophobicContact CZ-CG2 3.91Å; F423-V427 WeakPolarHBondContact O-CG2 3.27Å; F423-V427 PolarHBondContact O-N 2.92Å; G424-V427 PolarHBondContact O-N 3.4Å; G425-V427 PolarHBondContact O-N 3.02Å; V427-F430 PolarHBondContact O-N 2.87Å; V427-L431 HydrophobicContact CG1-CD1 3.85Å; V427-L431 HydrophobicContact CG1-CG 4.22Å; V427-L431 WeakPolarHBondContact O-CB 3.23Å; V427-L431 VanDerWaalsContact O-CG 3.24Å; V427-L431 WeakPolarHBondContact O-CG 3.25Å; V427-L431 PolarHBondContact O-N 3.1Å; V427-F451 HydrophobicContact CG2-CE1 4.43Å; V427-F451 HydrophobicContact CG2-CZ 4.32Å; V427-I490 HydrophobicContact CG1-CG1 3.99Å; V427-I490 HydrophobicContact CG2-CD1 4.27Å; V427-I490 HydrophobicContact CG2-CG1 4.29Å
428	Q	91.8	Very high	82.1	Confident	57 Å²	57	69.7 Å²	69.7	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-40.2	179.5	-69.8	-63	-40.9	0	0	112.2	A416 R419 G424 G425 L431 Q432	A416-Q428 PolarHBondContact O-NE2 3.34Å; R419-Q428 HydrophobicContact CG-CB 3.92Å; R419-Q428 HydrophobicContact CG-CG 3.91Å; G424-Q428 WeakPolarHBondContact O-CB 3.49Å; G424-Q428 VanDerWaalsContact O-CG 3.26Å; G424-Q428 WeakPolarHBondContact O-CG 3.21Å; G424-Q428 PolarHBondContact O-N 3.26Å; G425-Q428 PolarHBondContact O-N 3.38Å; Q428-L431 PolarHBondContact O-N 3.34Å; Q428-Q432 WeakPolarHBondContact O-CB 3.37Å; Q428-Q432 PolarHBondContact O-N 3.02Å; Q428-Q432 VanDerWaalsContact O-N 3.08Å
429	D	90.8	Very high	81.1	Confident	75 Å²	75	70.9 Å²	70.9	40%	0.401	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-46.4	175	-69.1	-30.5	0	0	0	111.1	R419 G425 L431 Q432 E433	R419-D429 IonicContact CZ-OD1 2.69Å; R419-D429 IonicContact NH1-OD1 2.63Å; R419-D429 PolarHBondContact NH1-OD1 2.92Å; R419-D429 IonicContact NH1-OD2 2.65Å; R419-D429 IonicContact NH2-OD1 3.49Å; R419-D429 PolarHBondContact NH2-OD1 3.15Å; G425-D429 PolarHBondContact O-N 3.29Å; D429-L431 PolarHBondContact O-N 3.21Å; D429-Q432 CarbonylContact O-C 3.39Å; D429-Q432 WeakPolarHBondContact O-CB 3.22Å; D429-Q432 PolarHBondContact O-N 3.02Å; D429-Q432 VanDerWaalsContact O-N 3.1Å; D429-E433 WeakPolarHBondContact O-CB 3.34Å; D429-E433 WeakPolarHBondContact O-CG 3.42Å; D429-E433 PolarHBondContact O-N 3.45Å
430	F	89.8	Confident	81	Confident	21 Å²	21	68 Å²	68	9%	0.092	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-44.2	175.5	-178.5	-97.5	0	0	0	112.9	M426 V427 Q432 E433 Q434 L448 F451 I490 L494	M426-F430 WeakPolarHBondContact O-CB 3.01Å; M426-F430 PolarHBondContact O-N 2.73Å; M426-F430 VanDerWaalsContact O-N 3.13Å; V427-F430 PolarHBondContact O-N 2.87Å; F430-Q432 PolarHBondContact O-N 3.01Å; F430-E433 PolarHBondContact O-N 2.86Å; F430-Q434 HydrophobicContact CD1-CG 3.77Å; F430-Q434 HydrophobicContact CD2-CG 3.96Å; F430-Q434 HydrophobicContact CE1-CG 3.42Å; F430-Q434 VanDerWaalsContact CE1-CG 3.42Å; F430-Q434 VanDerWaalsContact CE2-CD 3.45Å; F430-Q434 HydrophobicContact CE2-CG 3.61Å; F430-Q434 HydrophobicContact CG-CG 4.04Å; F430-Q434 HydrophobicContact CZ-CG 3.33Å; F430-Q434 WeakPolarHBondContact O-CB 3.09Å; F430-Q434 VanDerWaalsContact O-CG 3.28Å; F430-Q434 WeakPolarHBondContact O-CG 3.33Å; F430-Q434 PolarHBondContact O-N 3.31Å; F430-L448 HydrophobicContact CE1-CD1 3.61Å; F430-L448 HydrophobicContact CZ-CD1 3.7Å; F430-F451 HydrophobicContact CB-CD1 4.28Å; F430-F451 HydrophobicContact CB-CD2 4.2Å; F430-F451 HydrophobicContact CB-CE1 3.72Å; F430-F451 HydrophobicContact CB-CE2 3.63Å; F430-F451 HydrophobicContact CB-CG 4.49Å; F430-F451 HydrophobicContact CB-CZ 3.37Å; F430-F451 AromaticContact CD1-CD1 3.32Å; F430-F451 HydrophobicContact CD1-CD1 3.32Å; F430-F451 HydrophobicContact CD1-CD2 4.41Å; F430-F451 AromaticContact CD1-CE1 3.36Å; F430-F451 HydrophobicContact CD1-CE1 3.36Å; F430-F451 HydrophobicContact CD1-CE2 4.45Å; F430-F451 AromaticContact CD1-CG 3.88Å; F430-F451 HydrophobicContact CD1-CG 3.88Å; F430-F451 AromaticContact CD1-CZ 3.97Å; F430-F451 HydrophobicContact CD1-CZ 3.97Å; F430-F451 HydrophobicContact CD2-CB 4.02Å; F430-F451 AromaticContact CD2-CD1 3.8Å; F430-F451 HydrophobicContact CD2-CD1 3.8Å; F430-F451 AromaticContact CD2-CD2 3.42Å; F430-F451 HydrophobicContact CD2-CD2 3.42Å; F430-F451 VanDerWaalsContact CD2-CD2 3.42Å; F430-F451 HydrophobicContact CD2-CE1 4.12Å; F430-F451 AromaticContact CD2-CE2 3.78Å; F430-F451 HydrophobicContact CD2-CE2 3.78Å; F430-F451 AromaticContact CD2-CG 3.43Å; F430-F451 HydrophobicContact CD2-CG 3.43Å; F430-F451 VanDerWaalsContact CD2-CG 3.43Å; F430-F451 HydrophobicContact CD2-CZ 4.12Å; F430-F451 HydrophobicContact CE1-CB 4.19Å; F430-F451 AromaticContact CE1-CD1 3.37Å; F430-F451 HydrophobicContact CE1-CD1 3.37Å; F430-F451 AromaticContact CE1-CE1 3.92Å; F430-F451 HydrophobicContact CE1-CE1 3.92Å; F430-F451 AromaticContact CE1-CG 3.83Å; F430-F451 HydrophobicContact CE1-CG 3.83Å; F430-F451 HydrophobicContact CE2-CB 3.43Å; F430-F451 VanDerWaalsContact CE2-CB 3.43Å; F430-F451 AromaticContact CE2-CD1 3.85Å; F430-F451 HydrophobicContact CE2-CD1 3.85Å; F430-F451 AromaticContact CE2-CD2 3.79Å; F430-F451 HydrophobicContact CE2-CD2 3.79Å; F430-F451 AromaticContact CE2-CG 3.37Å; F430-F451 HydrophobicContact CE2-CG 3.37Å; F430-F451 AromaticContact CG-CD1 3.53Å; F430-F451 HydrophobicContact CG-CD1 3.53Å; F430-F451 AromaticContact CG-CD2 3.77Å; F430-F451 HydrophobicContact CG-CD2 3.77Å; F430-F451 AromaticContact CG-CE1 3.47Å; F430-F451 HydrophobicContact CG-CE1 3.47Å; F430-F451 VanDerWaalsContact CG-CE1 3.47Å; F430-F451 AromaticContact CG-CE2 3.71Å; F430-F451 HydrophobicContact CG-CE2 3.71Å; F430-F451 AromaticContact CG-CG 3.68Å; F430-F451 HydrophobicContact CG-CG 3.68Å; F430-F451 AromaticContact CG-CZ 3.57Å; F430-F451 HydrophobicContact CG-CZ 3.57Å; F430-F451 HydrophobicContact CZ-CB 3.53Å; F430-F451 AromaticContact CZ-CD1 3.64Å; F430-F451 HydrophobicContact CZ-CD1 3.64Å; F430-F451 HydrophobicContact CZ-CD2 4.41Å; F430-F451 HydrophobicContact CZ-CE1 4.5Å; F430-F451 AromaticContact CZ-CG 3.58Å; F430-F451 HydrophobicContact CZ-CG 3.58Å; F430-I490 HydrophobicContact CD1-CG2 4.29Å; F430-I490 HydrophobicContact CE1-CG2 3.99Å; F430-L494 HydrophobicContact CE1-CD1 4.01Å
431	L	87.6	Confident	81.3	Confident	31 Å²	31	59 Å²	59	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-27.4	176.1	-72	175.6	0	0	0	112.9	V427 Q428 D429 P493 L494	V427-L431 HydrophobicContact CG1-CD1 3.85Å; V427-L431 HydrophobicContact CG1-CG 4.22Å; V427-L431 WeakPolarHBondContact O-CB 3.23Å; V427-L431 VanDerWaalsContact O-CG 3.24Å; V427-L431 WeakPolarHBondContact O-CG 3.25Å; V427-L431 PolarHBondContact O-N 3.1Å; Q428-L431 PolarHBondContact O-N 3.34Å; D429-L431 PolarHBondContact O-N 3.21Å; L431-P493 HydrophobicContact CD2-CB 4.3Å; L431-L494 HydrophobicContact CD2-CD1 3.97Å; L431-L494 HydrophobicContact CD2-CD2 3.77Å; L431-L494 HydrophobicContact CD2-CG 3.54Å
432	Q	84.4	Confident	81.4	Confident	128 Å²	128	59.9 Å²	59.9	60%	0.598	30%	0.301	S	S	*	.	H	α-helix	trans	-84.2	-36.5	175.5	-169.5	168.1	-11.9	0	0	112.1	R419 Q428 D429 F430	R419-Q432 VanDerWaalsContact NH2-OE1 3.13Å; Q428-Q432 WeakPolarHBondContact O-CB 3.37Å; Q428-Q432 PolarHBondContact O-N 3.02Å; Q428-Q432 VanDerWaalsContact O-N 3.08Å; D429-Q432 CarbonylContact O-C 3.39Å; D429-Q432 WeakPolarHBondContact O-CB 3.22Å; D429-Q432 PolarHBondContact O-N 3.02Å; D429-Q432 VanDerWaalsContact O-N 3.1Å; F430-Q432 PolarHBondContact O-N 3.01Å
433	E	80.6	Confident	81.6	Confident	102 Å²	102	63.4 Å²	63.4	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-81.5	-26.9	-177.8	-71.1	-142.4	119.7	0	0	115.2	D429 F430 R435 K436	D429-E433 WeakPolarHBondContact O-CB 3.34Å; D429-E433 WeakPolarHBondContact O-CG 3.42Å; D429-E433 PolarHBondContact O-N 3.45Å; F430-E433 PolarHBondContact O-N 2.86Å; E433-R435 PolarHBondContact O-N 3.15Å; E433-K436 WeakPolarHBondContact O-CB 3.4Å; E433-K436 WeakPolarHBondContact O-CG 3.31Å; E433-K436 PolarHBondContact O-N 3.17Å; E433-K436 IonicContact OE1-NZ 3.54Å; E433-K436 PolarHBondContact OE1-NZ 3.15Å
434	Q	68.4	Low	81.6	Confident	46 Å²	46	63.9 Å²	63.9	22%	0.215	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	8.4	177.9	-75.2	-64.5	-71.1	0	0	114.8	F430 L494	F430-Q434 HydrophobicContact CD1-CG 3.77Å; F430-Q434 HydrophobicContact CD2-CG 3.96Å; F430-Q434 HydrophobicContact CE1-CG 3.42Å; F430-Q434 VanDerWaalsContact CE1-CG 3.42Å; F430-Q434 VanDerWaalsContact CE2-CD 3.45Å; F430-Q434 HydrophobicContact CE2-CG 3.61Å; F430-Q434 HydrophobicContact CG-CG 4.04Å; F430-Q434 HydrophobicContact CZ-CG 3.33Å; F430-Q434 WeakPolarHBondContact O-CB 3.09Å; F430-Q434 VanDerWaalsContact O-CG 3.28Å; F430-Q434 WeakPolarHBondContact O-CG 3.33Å; F430-Q434 PolarHBondContact O-N 3.31Å; Q434-L494 HydrophobicContact CB-CD2 4.3Å
435	R	60.5	Low	81.6	Confident	197 Å²	197	63.9 Å²	63.9	74%	0.743	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.8	166.7	-59.8	179.1	178.2	-170.4	-1.5	113.1	E433	E433-R435 PolarHBondContact O-N 3.15Å
436	K	57.5	Low	81.5	Confident	139 Å²	139	65.5 Å²	65.5	60%	0.604	32%	0.323	S	S	*	.	S	Bend	trans	-81.1	156.4	-179.5	-68.1	174.3	179.2	-177.7	0	112.2	E433 L438	E433-K436 WeakPolarHBondContact O-CB 3.4Å; E433-K436 WeakPolarHBondContact O-CG 3.31Å; E433-K436 PolarHBondContact O-N 3.17Å; E433-K436 IonicContact OE1-NZ 3.54Å; E433-K436 PolarHBondContact OE1-NZ 3.15Å; K436-L438 PolarHBondContact O-N 3.47Å
437	V	56	Low	81.4	Confident	140 Å²	140	65.3 Å²	65.3	85%	0.848	33%	0.327	S	S	*	.			trans	-73.1	117.5	-166.7	-175.4	0	0	0	0	112.3
438	L	68.9	Low	81.4	Confident	58 Å²	58	65.3 Å²	65.3	30%	0.304	33%	0.327	S	S	.	.			trans	-109.5	153.2	164.8	-61.9	-179.7	0	0	0	109.8	K436 L444 F505	K436-L438 PolarHBondContact O-N 3.47Å; L438-L444 HydrophobicContact CD1-CB 3.94Å; L438-L444 HydrophobicContact CD1-CD1 3.88Å; L438-F505 WeakPolarHBondContact O-CZ 3.49Å
439	V	70.8	Confident	81.3	Confident	93 Å²	93	62.7 Å²	62.7	56%	0.564	31%	0.314	S	S	*	.	S	Bend	trans	-90.5	-34.4	-165.5	-172.8	0	0	0	0	112.8	F505 R508	V439-F505 VanDerWaalsContact O-CE1 3.27Å; V439-F505 WeakPolarHBondContact O-CE1 3.23Å; V439-R508 PolarHBondContact O-NH2 3.37Å
440	T	85.6	Confident	81.2	Confident	56 Å²	56	62.5 Å²	62.5	34%	0.344	31%	0.313	S	S	.	.	S	Bend	trans	-134.1	160	-178.7	71.2	0	0	0	0	113.1	Q443 L444	T440-Q443 PolarHBondContact O-N 2.79Å; T440-Q443 WeakPolarHBondContact OG1-CG 3.24Å; T440-Q443 PolarHBondContact OG1-N 3.05Å; T440-L444 PolarHBondContact O-N 3.01Å
441	S	89.1	Confident	81.2	Confident	10 Å²	10	62.2 Å²	62.2	7%	0.07	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-48.2	175.8	56.6	0	0	0	0	112.3	Q443 L444 L445 H506 E611	S441-Q443 PolarHBondContact O-N 3.43Å; S441-L444 WeakPolarHBondContact O-CB 3.46Å; S441-L444 PolarHBondContact O-N 2.93Å; S441-L445 WeakPolarHBondContact O-CG 3.43Å; S441-L445 PolarHBondContact O-N 2.98Å; S441-H506 PolarHBondContact OG-CE1 3.22Å; S441-H506 VanDerWaalsContact OG-CE1 3.28Å; S441-E611 WeakPolarHBondContact CB-OE1 3.41Å; S441-E611 PolarHBondContact OG-OE1 3.31Å
442	V	89.1	Confident	81.4	Confident	28 Å²	28	60.8 Å²	60.8	17%	0.17	30%	0.304	C	S	.	.	H	α-helix	trans	-55.9	-49.9	176.7	173.9	0	0	0	0	110.7	L444 L445 Q446 E611	V442-L444 VanDerWaalsContact C-N 3.3Å; V442-L444 PolarHBondContact O-N 3.2Å; V442-L445 PolarHBondContact O-N 2.85Å; V442-L445 VanDerWaalsContact O-N 3.17Å; V442-Q446 VanDerWaalsContact CG1-CD 3.46Å; V442-Q446 HydrophobicContact CG1-CG 4Å; V442-Q446 WeakPolarHBondContact O-CB 3.49Å; V442-Q446 WeakPolarHBondContact O-CG 3.19Å; V442-Q446 PolarHBondContact O-N 3.17Å; V442-E611 PolarHBondContact N-OE1 2.68Å
443	Q	88.1	Confident	81.6	Confident	94 Å²	94	55.4 Å²	55.4	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-37.3	-179.7	-74.1	173.6	-4.1	0	0	113	T440 S441 S447	T440-Q443 PolarHBondContact O-N 2.79Å; T440-Q443 WeakPolarHBondContact OG1-CG 3.24Å; T440-Q443 PolarHBondContact OG1-N 3.05Å; S441-Q443 PolarHBondContact O-N 3.43Å; Q443-S447 VanDerWaalsContact O-CB 3.25Å; Q443-S447 WeakPolarHBondContact O-CB 3.41Å; Q443-S447 PolarHBondContact O-N 3.45Å
444	L	90.2	Very high	81.9	Confident	10 Å²	10	55.1 Å²	55.1	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-49.9	173.2	168.3	63.3	0	0	0	111.6	L438 T440 S441 V442 S447 L448 L498 A501 L502 F505	L438-L444 HydrophobicContact CD1-CB 3.94Å; L438-L444 HydrophobicContact CD1-CD1 3.88Å; T440-L444 PolarHBondContact O-N 3.01Å; S441-L444 WeakPolarHBondContact O-CB 3.46Å; S441-L444 PolarHBondContact O-N 2.93Å; V442-L444 VanDerWaalsContact C-N 3.3Å; V442-L444 PolarHBondContact O-N 3.2Å; L444-S447 PolarHBondContact O-N 3.43Å; L444-L448 VanDerWaalsContact O-CB 3.27Å; L444-L448 WeakPolarHBondContact O-CB 3.43Å; L444-L448 PolarHBondContact O-N 3.22Å; L444-L498 HydrophobicContact CD1-CD2 3.95Å; L444-L498 HydrophobicContact CD2-CD2 3.98Å; L444-L498 HydrophobicContact CG-CD2 4.14Å; L444-A501 HydrophobicContact CD2-CB 3.89Å; L444-L502 HydrophobicContact CD2-CD2 4.23Å; L444-F505 HydrophobicContact CD2-CE2 4.09Å
445	L	91.9	Very high	82.9	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68	-37.4	-178.8	-63.5	169.9	0	0	0	112.3	S441 V442 L448 R449 L502 E611 Y612 E615 L616	S441-L445 WeakPolarHBondContact O-CG 3.43Å; S441-L445 PolarHBondContact O-N 2.98Å; V442-L445 PolarHBondContact O-N 2.85Å; V442-L445 VanDerWaalsContact O-N 3.17Å; L445-L448 PolarHBondContact O-N 2.98Å; L445-R449 PolarHBondContact O-N 3.36Å; L445-L502 HydrophobicContact CD1-CD2 4.04Å; L445-L502 HydrophobicContact CD2-CD1 4.21Å; L445-L502 HydrophobicContact CD2-CD2 4.35Å; L445-L502 HydrophobicContact CG-CD2 4.1Å; L445-E611 HydrophobicContact CD1-CG 3.84Å; L445-Y612 HydrophobicContact CD2-CD2 3.86Å; L445-Y612 HydrophobicContact CD2-CE2 4.44Å; L445-E615 HydrophobicContact CB-CB 3.64Å; L445-E615 HydrophobicContact CB-CG 4.2Å; L445-E615 HydrophobicContact CD1-CB 4.19Å; L445-E615 HydrophobicContact CD1-CG 4.19Å; L445-L616 HydrophobicContact CB-CD2 4.29Å; L445-L616 HydrophobicContact CD2-CD1 3.85Å; L445-L616 HydrophobicContact CD2-CD2 4.15Å; L445-L616 HydrophobicContact CD2-CG 3.92Å; L445-L616 VanDerWaalsContact O-CD2 3.23Å; L445-L616 WeakPolarHBondContact O-CD2 3.41Å
446	Q	88.2	Confident	84.2	Confident	43 Å²	43	44.4 Å²	44.4	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-42.3	176.6	-68.1	-174.9	-29.1	0	0	112.2	V442 L448 R449 L450 E671	V442-Q446 VanDerWaalsContact CG1-CD 3.46Å; V442-Q446 HydrophobicContact CG1-CG 4Å; V442-Q446 WeakPolarHBondContact O-CB 3.49Å; V442-Q446 WeakPolarHBondContact O-CG 3.19Å; V442-Q446 PolarHBondContact O-N 3.17Å; Q446-L448 VanDerWaalsContact C-N 3.32Å; Q446-L448 PolarHBondContact O-N 3.27Å; Q446-R449 PolarHBondContact O-N 2.67Å; Q446-L450 PolarHBondContact O-N 3.46Å; Q446-E671 WeakPolarHBondContact CB-OE1 3.37Å; Q446-E671 WeakPolarHBondContact CG-OE1 3.27Å; Q446-E671 PolarHBondContact NE2-OE1 2.76Å
447	S	87.7	Confident	85.5	Confident	44 Å²	44	40 Å²	40	31%	0.308	22%	0.224	S	C	.	.	H	α-helix	trans	-59.5	-43.5	171.9	-177.5	0	0	0	0	111.4	Q443 L444 L450 F451	Q443-S447 VanDerWaalsContact O-CB 3.25Å; Q443-S447 WeakPolarHBondContact O-CB 3.41Å; Q443-S447 PolarHBondContact O-N 3.45Å; L444-S447 PolarHBondContact O-N 3.43Å; S447-L450 WeakPolarHBondContact O-CB 3.43Å; S447-L450 PolarHBondContact O-N 3.31Å; S447-F451 PolarHBondContact O-N 3.25Å
448	L	91.8	Very high	86.9	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-39.9	178.5	-174.9	56.8	0	0	0	112.6	F430 L444 L445 Q446 F451 L452 I490 L491 L494 L498 L616	F430-L448 HydrophobicContact CE1-CD1 3.61Å; F430-L448 HydrophobicContact CZ-CD1 3.7Å; L444-L448 VanDerWaalsContact O-CB 3.27Å; L444-L448 WeakPolarHBondContact O-CB 3.43Å; L444-L448 PolarHBondContact O-N 3.22Å; L445-L448 PolarHBondContact O-N 2.98Å; Q446-L448 VanDerWaalsContact C-N 3.32Å; Q446-L448 PolarHBondContact O-N 3.27Å; L448-F451 PolarHBondContact O-N 3.49Å; L448-L452 HydrophobicContact CG-CD1 4.39Å; L448-L452 WeakPolarHBondContact O-CB 3.33Å; L448-L452 WeakPolarHBondContact O-CD1 3.47Å; L448-L452 WeakPolarHBondContact O-CG 3.44Å; L448-L452 PolarHBondContact O-N 3Å; L448-I490 HydrophobicContact CD1-CG2 4.01Å; L448-L491 HydrophobicContact CD1-CD2 4.01Å; L448-L491 HydrophobicContact CD2-CD2 3.54Å; L448-L491 HydrophobicContact CG-CD2 3.84Å; L448-L494 HydrophobicContact CD1-CD1 3.98Å; L448-L498 HydrophobicContact CD2-CD1 3.62Å; L448-L498 HydrophobicContact CD2-CD2 3.91Å; L448-L498 HydrophobicContact CD2-CG 4.44Å; L448-L616 HydrophobicContact CB-CD2 3.92Å; L448-L616 HydrophobicContact CD2-CD1 4.29Å; L448-L616 HydrophobicContact CD2-CD2 3.96Å; L448-L616 HydrophobicContact CG-CD2 3.85Å
449	R	91.3	Very high	87.8	Confident	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-38.8	172.3	-178.6	63.6	-123.9	-175.7	-1.4	112.2	L445 Q446 S453 E483 L616	L445-R449 PolarHBondContact O-N 3.36Å; Q446-R449 PolarHBondContact O-N 2.67Å; R449-S453 PolarHBondContact NE-OG 3.15Å; R449-S453 PolarHBondContact NH2-OG 2.84Å; R449-S453 VanDerWaalsContact NH2-OG 3.1Å; R449-S453 PolarHBondContact O-N 3.42Å; R449-S453 VanDerWaalsContact O-N 3.11Å; R449-S453 PolarHBondContact O-OG 2.96Å; R449-E483 IonicContact CZ-OE1 3.48Å; R449-E483 IonicContact CZ-OE2 3.69Å; R449-E483 IonicContact NH1-OE1 2.71Å; R449-E483 IonicContact NH1-OE2 3.2Å; R449-E483 PolarHBondContact NH1-OE2 3.22Å; R449-E483 IonicContact NH2-OE1 2.72Å; R449-E483 PolarHBondContact NH2-OE1 2.99Å; R449-E483 IonicContact NH2-OE2 3.83Å; R449-E483 PolarHBondContact NH2-OE2 3.02Å; R449-L616 HydrophobicContact CB-CD2 4.29Å; R449-L616 WeakPolarHBondContact CD-O 3.45Å; R449-L616 PolarHBondContact NH1-O 3.19Å
450	L	87.1	Confident	88.5	Confident	72 Å²	72	29.9 Å²	29.9	38%	0.377	16%	0.162	S	C	.	.	H	α-helix	trans	-62.9	-46.6	175	179.3	61.9	0	0	0	111	Q446 S447 S453 Q454	Q446-L450 PolarHBondContact O-N 3.46Å; S447-L450 WeakPolarHBondContact O-CB 3.43Å; S447-L450 PolarHBondContact O-N 3.31Å; L450-S453 PolarHBondContact O-N 2.93Å; L450-Q454 WeakPolarHBondContact O-CG 3.24Å; L450-Q454 PolarHBondContact O-N 2.86Å
451	F	90.4	Very high	88.2	Confident	15 Å²	15	32 Å²	32	7%	0.066	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-42.7	177.5	-176.7	-100.3	0	0	0	112.7	M426 V427 F430 S447 L448 S453 Q454 A455 I490	M426-F451 HydrophobicContact CE-CZ 4.4Å; M426-F451 HydrophobicContact CG-CE2 3.82Å; M426-F451 HydrophobicContact CG-CZ 4Å; M426-F451 HydrophobicContact SD-CE2 4.35Å; V427-F451 HydrophobicContact CG2-CE1 4.43Å; V427-F451 HydrophobicContact CG2-CZ 4.32Å; F430-F451 HydrophobicContact CB-CD1 4.28Å; F430-F451 HydrophobicContact CB-CD2 4.2Å; F430-F451 HydrophobicContact CB-CE1 3.72Å; F430-F451 HydrophobicContact CB-CE2 3.63Å; F430-F451 HydrophobicContact CB-CG 4.49Å; F430-F451 HydrophobicContact CB-CZ 3.37Å; F430-F451 AromaticContact CD1-CD1 3.32Å; F430-F451 HydrophobicContact CD1-CD1 3.32Å; F430-F451 HydrophobicContact CD1-CD2 4.41Å; F430-F451 AromaticContact CD1-CE1 3.36Å; F430-F451 HydrophobicContact CD1-CE1 3.36Å; F430-F451 HydrophobicContact CD1-CE2 4.45Å; F430-F451 AromaticContact CD1-CG 3.88Å; F430-F451 HydrophobicContact CD1-CG 3.88Å; F430-F451 AromaticContact CD1-CZ 3.97Å; F430-F451 HydrophobicContact CD1-CZ 3.97Å; F430-F451 HydrophobicContact CD2-CB 4.02Å; F430-F451 AromaticContact CD2-CD1 3.8Å; F430-F451 HydrophobicContact CD2-CD1 3.8Å; F430-F451 AromaticContact CD2-CD2 3.42Å; F430-F451 HydrophobicContact CD2-CD2 3.42Å; F430-F451 VanDerWaalsContact CD2-CD2 3.42Å; F430-F451 HydrophobicContact CD2-CE1 4.12Å; F430-F451 AromaticContact CD2-CE2 3.78Å; F430-F451 HydrophobicContact CD2-CE2 3.78Å; F430-F451 AromaticContact CD2-CG 3.43Å; F430-F451 HydrophobicContact CD2-CG 3.43Å; F430-F451 VanDerWaalsContact CD2-CG 3.43Å; F430-F451 HydrophobicContact CD2-CZ 4.12Å; F430-F451 HydrophobicContact CE1-CB 4.19Å; F430-F451 AromaticContact CE1-CD1 3.37Å; F430-F451 HydrophobicContact CE1-CD1 3.37Å; F430-F451 AromaticContact CE1-CE1 3.92Å; F430-F451 HydrophobicContact CE1-CE1 3.92Å; F430-F451 AromaticContact CE1-CG 3.83Å; F430-F451 HydrophobicContact CE1-CG 3.83Å; F430-F451 HydrophobicContact CE2-CB 3.43Å; F430-F451 VanDerWaalsContact CE2-CB 3.43Å; F430-F451 AromaticContact CE2-CD1 3.85Å; F430-F451 HydrophobicContact CE2-CD1 3.85Å; F430-F451 AromaticContact CE2-CD2 3.79Å; F430-F451 HydrophobicContact CE2-CD2 3.79Å; F430-F451 AromaticContact CE2-CG 3.37Å; F430-F451 HydrophobicContact CE2-CG 3.37Å; F430-F451 AromaticContact CG-CD1 3.53Å; F430-F451 HydrophobicContact CG-CD1 3.53Å; F430-F451 AromaticContact CG-CD2 3.77Å; F430-F451 HydrophobicContact CG-CD2 3.77Å; F430-F451 AromaticContact CG-CE1 3.47Å; F430-F451 HydrophobicContact CG-CE1 3.47Å; F430-F451 VanDerWaalsContact CG-CE1 3.47Å; F430-F451 AromaticContact CG-CE2 3.71Å; F430-F451 HydrophobicContact CG-CE2 3.71Å; F430-F451 AromaticContact CG-CG 3.68Å; F430-F451 HydrophobicContact CG-CG 3.68Å; F430-F451 AromaticContact CG-CZ 3.57Å; F430-F451 HydrophobicContact CG-CZ 3.57Å; F430-F451 HydrophobicContact CZ-CB 3.53Å; F430-F451 AromaticContact CZ-CD1 3.64Å; F430-F451 HydrophobicContact CZ-CD1 3.64Å; F430-F451 HydrophobicContact CZ-CD2 4.41Å; F430-F451 HydrophobicContact CZ-CE1 4.5Å; F430-F451 AromaticContact CZ-CG 3.58Å; F430-F451 HydrophobicContact CZ-CG 3.58Å; S447-F451 PolarHBondContact O-N 3.25Å; L448-F451 PolarHBondContact O-N 3.49Å; F451-S453 VanDerWaalsContact C-N 3.28Å; F451-S453 PolarHBondContact O-N 3Å; F451-Q454 PolarHBondContact O-N 2.61Å; F451-Q454 VanDerWaalsContact O-N 3.13Å; F451-A455 HydrophobicContact CE1-CB 4.18Å; F451-A455 HydrophobicContact CZ-CB 4.35Å; F451-A455 WeakPolarHBondContact O-CB 3.17Å; F451-A455 PolarHBondContact O-N 3.42Å; F451-I490 HydrophobicContact CD1-CD1 4.06Å; F451-I490 HydrophobicContact CD1-CG2 4.3Å; F451-I490 HydrophobicContact CE1-CD1 3.68Å; F451-I490 HydrophobicContact CE1-CG1 4.09Å; F451-I490 HydrophobicContact CE1-CG2 4.42Å
452	L	91.6	Very high	87.7	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-56.2	-42.5	174.3	-73.3	164	0	0	0	111.8	L448 K456 M486 F487 I490 L491 L616	L448-L452 HydrophobicContact CG-CD1 4.39Å; L448-L452 WeakPolarHBondContact O-CB 3.33Å; L448-L452 WeakPolarHBondContact O-CD1 3.47Å; L448-L452 WeakPolarHBondContact O-CG 3.44Å; L448-L452 PolarHBondContact O-N 3Å; L452-K456 WeakPolarHBondContact O-CB 3.49Å; L452-K456 PolarHBondContact O-N 2.91Å; L452-K456 VanDerWaalsContact O-N 3.1Å; L452-M486 HydrophobicContact CD2-CB 3.78Å; L452-F487 HydrophobicContact CD1-CD1 4.33Å; L452-F487 HydrophobicContact CD1-CE1 4.17Å; L452-F487 HydrophobicContact CD2-CD1 4.19Å; L452-I490 HydrophobicContact CD2-CB 4.03Å; L452-I490 HydrophobicContact CD2-CD1 3.91Å; L452-I490 HydrophobicContact CD2-CG2 4.11Å; L452-L491 HydrophobicContact CD1-CD1 4.23Å; L452-L491 HydrophobicContact CD1-CD2 4.15Å; L452-L491 HydrophobicContact CD1-CG 4.29Å; L452-L491 HydrophobicContact CD2-CG 4.34Å; L452-L616 HydrophobicContact CD1-CD2 4.39Å
453	S	88.1	Confident	87.1	Confident	14 Å²	14	39.5 Å²	39.5	10%	0.098	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-40.3	175	-67.5	0	0	0	0	112.5	R449 L450 F451 C457 Q675	R449-S453 PolarHBondContact NE-OG 3.15Å; R449-S453 PolarHBondContact NH2-OG 2.84Å; R449-S453 VanDerWaalsContact NH2-OG 3.1Å; R449-S453 PolarHBondContact O-N 3.42Å; R449-S453 VanDerWaalsContact O-N 3.11Å; R449-S453 PolarHBondContact O-OG 2.96Å; L450-S453 PolarHBondContact O-N 2.93Å; F451-S453 VanDerWaalsContact C-N 3.28Å; F451-S453 PolarHBondContact O-N 3Å; S453-C457 PolarHBondContact O-N 2.9Å; S453-C457 PolarHBondContact O-SG 2.99Å; S453-C457 VanDerWaalsContact O-SG 3.4Å; S453-Q675 PolarHBondContact OG-OE1 3.14Å
454	Q	86.7	Confident	86.7	Confident	97 Å²	97	36.2 Å²	36.2	45%	0.453	18%	0.181	S	C	.	.	H	α-helix	trans	-65	-44	175.9	-73.4	169.6	-22.8	0	0	112.1	L450 F451 K456 C457 C458	L450-Q454 WeakPolarHBondContact O-CG 3.24Å; L450-Q454 PolarHBondContact O-N 2.86Å; F451-Q454 PolarHBondContact O-N 2.61Å; F451-Q454 VanDerWaalsContact O-N 3.13Å; Q454-K456 VanDerWaalsContact C-N 3.34Å; Q454-K456 PolarHBondContact O-N 3.38Å; Q454-C457 PolarHBondContact O-N 3.19Å; Q454-C458 WeakPolarHBondContact O-CB 3.48Å; Q454-C458 PolarHBondContact O-N 3.01Å
455	A	89.9	Confident	86.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-38.7	178.9	0	0	0	0	0	112	F423 M426 F451 C458 L459 M486 I490	F423-A455 HydrophobicContact CE2-CB 4.1Å; F423-A455 WeakPolarHBondContact CE2-O 3.48Å; M426-A455 HydrophobicContact CE-CB 3.73Å; F451-A455 HydrophobicContact CE1-CB 4.18Å; F451-A455 HydrophobicContact CZ-CB 4.35Å; F451-A455 WeakPolarHBondContact O-CB 3.17Å; F451-A455 PolarHBondContact O-N 3.42Å; A455-C458 PolarHBondContact O-N 2.97Å; A455-L459 WeakPolarHBondContact O-CB 3.34Å; A455-L459 PolarHBondContact O-N 3.37Å; A455-M486 HydrophobicContact CB-SD 3.79Å; A455-I490 HydrophobicContact CB-CD1 3.9Å
456	K	88.8	Confident	85.4	Confident	17 Å²	17	42 Å²	42	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-42.8	172.6	-177.5	-179.3	172.5	-174.1	0	112.3	L452 Q454 L460 D479 L482 E483 M486	L452-K456 WeakPolarHBondContact O-CB 3.49Å; L452-K456 PolarHBondContact O-N 2.91Å; L452-K456 VanDerWaalsContact O-N 3.1Å; Q454-K456 VanDerWaalsContact C-N 3.34Å; Q454-K456 PolarHBondContact O-N 3.38Å; K456-L460 HydrophobicContact CG-CD1 4.46Å; K456-L460 WeakPolarHBondContact O-CD1 3.41Å; K456-L460 WeakPolarHBondContact O-CG 3.25Å; K456-L460 PolarHBondContact O-N 3.39Å; K456-D479 WeakPolarHBondContact CE-OD1 3.18Å; K456-D479 IonicContact NZ-OD1 3.23Å; K456-D479 PolarHBondContact NZ-OD1 3.31Å; K456-L482 HydrophobicContact CG-CB 4.48Å; K456-E483 IonicContact NZ-OE1 3.35Å; K456-M486 HydrophobicContact CB-CG 4.16Å; K456-M486 HydrophobicContact CB-SD 4.32Å
457	C	85.2	Confident	84.9	Confident	47 Å²	47	42 Å²	42	32%	0.318	21%	0.211	S	C	.	.	H	α-helix	trans	-65.1	-50.2	174.5	-64.9	0	0	0	0	111.4	S453 Q454 L459 L460 D461	S453-C457 PolarHBondContact O-N 2.9Å; S453-C457 PolarHBondContact O-SG 2.99Å; S453-C457 VanDerWaalsContact O-SG 3.4Å; Q454-C457 PolarHBondContact O-N 3.19Å; C457-L459 VanDerWaalsContact C-N 3.28Å; C457-L459 PolarHBondContact O-N 2.69Å; C457-L460 WeakPolarHBondContact O-CA 3.49Å; C457-L460 WeakPolarHBondContact O-CB 3.21Å; C457-L460 PolarHBondContact O-N 2.63Å; C457-D461 PolarHBondContact O-N 3.48Å
458	C	85.4	Confident	84.4	Confident	15 Å²	15	43.1 Å²	43.1	10%	0.101	22%	0.217	C	C	.	.	H	α-helix	trans	-53.5	-42.6	179.6	179	0	0	0	0	112.7	M426 Q454 A455 L460 D461 S462	M426-C458 HydrophobicContact CE-CB 3.82Å; M426-C458 HydrophobicContact SD-CB 3.87Å; Q454-C458 WeakPolarHBondContact O-CB 3.48Å; Q454-C458 PolarHBondContact O-N 3.01Å; A455-C458 PolarHBondContact O-N 2.97Å; C458-L460 PolarHBondContact O-N 3.11Å; C458-D461 PolarHBondContact O-N 3.18Å; C458-S462 VanDerWaalsContact O-CB 3.25Å; C458-S462 WeakPolarHBondContact O-CB 3.42Å; C458-S462 PolarHBondContact O-N 2.97Å; C458-S462 PolarHBondContact O-OG 2.93Å
459	L	87.4	Confident	83.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-35.1	176	-179.2	63.5	0	0	0	113.7	V412 L415 F423 A455 C457 L482 M486	V412-L459 HydrophobicContact CG1-CD2 4.01Å; V412-L459 HydrophobicContact CG2-CD1 4.5Å; V412-L459 HydrophobicContact CG2-CD2 3.67Å; L415-L459 HydrophobicContact CD2-CD1 3.69Å; F423-L459 HydrophobicContact CD1-CD1 4.38Å; F423-L459 HydrophobicContact CD2-CB 3.81Å; F423-L459 HydrophobicContact CD2-CD1 4.35Å; F423-L459 HydrophobicContact CE2-CB 3.96Å; F423-L459 HydrophobicContact CG-CB 4.48Å; F423-L459 HydrophobicContact CG-CD1 4.23Å; A455-L459 WeakPolarHBondContact O-CB 3.34Å; A455-L459 PolarHBondContact O-N 3.37Å; C457-L459 VanDerWaalsContact C-N 3.28Å; C457-L459 PolarHBondContact O-N 2.69Å; L459-L482 HydrophobicContact CD2-CD2 3.84Å; L459-M486 HydrophobicContact CD2-CE 3.66Å
460	L	84.2	Confident	83.1	Confident	63 Å²	63	48.8 Å²	48.8	33%	0.33	24%	0.244	S	C	.	.	H	α-helix	trans	-74.8	-37.4	176.9	-71.7	165.8	0	0	0	111.8	K456 C457 C458 I469 L482	K456-L460 HydrophobicContact CG-CD1 4.46Å; K456-L460 WeakPolarHBondContact O-CD1 3.41Å; K456-L460 WeakPolarHBondContact O-CG 3.25Å; K456-L460 PolarHBondContact O-N 3.39Å; C457-L460 WeakPolarHBondContact O-CA 3.49Å; C457-L460 WeakPolarHBondContact O-CB 3.21Å; C457-L460 PolarHBondContact O-N 2.63Å; C458-L460 PolarHBondContact O-N 3.11Å; L460-I469 HydrophobicContact CD2-CD1 3.83Å; L460-L482 HydrophobicContact CD1-CD1 4.46Å; L460-L482 HydrophobicContact CD2-CD1 3.97Å; L460-L482 HydrophobicContact CG-CD1 4.43Å
461	D	80.8	Confident	82.7	Confident	100 Å²	100	49.9 Å²	49.9	54%	0.535	25%	0.254	S	S	.	.	H	α-helix	trans	-77.8	-35.1	-179.2	-66.4	-39.4	0	0	0	112.3	C457 C458	C457-D461 PolarHBondContact O-N 3.48Å; C458-D461 PolarHBondContact O-N 3.18Å
462	S	77.6	Confident	81.9	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-72	-32.3	-175.9	80.5	0	0	0	0	114	C458 E464	C458-S462 VanDerWaalsContact O-CB 3.25Å; C458-S462 WeakPolarHBondContact O-CB 3.42Å; C458-S462 PolarHBondContact O-N 2.97Å; C458-S462 PolarHBondContact O-OG 2.93Å; S462-E464 WeakPolarHBondContact CB-OE2 3.38Å; S462-E464 PolarHBondContact O-N 2.9Å; S462-E464 VanDerWaalsContact O-N 3.16Å; S462-E464 WeakPolarHBondContact OG-CG 3.03Å; S462-E464 PolarHBondContact OG-N 2.97Å; S462-E464 PolarHBondContact OG-OE2 3.27Å
463	R	77	Confident	81.3	Confident	193 Å²	193	49.9 Å²	49.9	73%	0.728	26%	0.255	S	S	*	.			trans	51.2	33.6	-176.1	-55.9	-175.9	179.8	-170.4	-0.2	113.2	L465 R690	R463-L465 VanDerWaalsContact C-N 3.33Å; R463-R690 WeakPolarHBondContact O-CD 3.26Å; R463-R690 PolarHBondContact O-NH1 3.35Å
464	E	79.6	Confident	80.8	Confident	26 Å²	26	52.2 Å²	52.2	12%	0.121	27%	0.27	C	S	.	.			trans	-76.6	-21	175.7	-71.6	168.1	137.1	0	0	112.7	L415 S421 V422 F423 S462 E466 T703	L415-E464 HydrophobicContact CD1-CB 3.97Å; L415-E464 HydrophobicContact CD2-CB 3.87Å; S421-E464 WeakPolarHBondContact CA-OE1 3.37Å; S421-E464 WeakPolarHBondContact CB-OE1 3.41Å; V422-E464 PolarHBondContact N-OE1 3.31Å; F423-E464 PolarHBondContact N-OE2 3.02Å; S462-E464 WeakPolarHBondContact CB-OE2 3.38Å; S462-E464 PolarHBondContact O-N 2.9Å; S462-E464 VanDerWaalsContact O-N 3.16Å; S462-E464 WeakPolarHBondContact OG-CG 3.03Å; S462-E464 PolarHBondContact OG-N 2.97Å; S462-E464 PolarHBondContact OG-OE2 3.27Å; E464-E466 PolarHBondContact O-N 2.89Å; E464-T703 HydrophobicContact CG-CG2 4.27Å; E464-T703 WeakPolarHBondContact CG-OG1 3.34Å; E464-T703 WeakPolarHBondContact OE1-CB 3.36Å
465	L	80.9	Confident	80.4	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.052	27%	0.272	C	S	.	.			trans	-73.9	118.6	-176.6	-160.9	85	0	0	0	111.6	L408 L411 V412 R463 P467 I469 L472	L408-L465 HydrophobicContact CD1-CD2 3.36Å; L411-L465 HydrophobicContact CB-CD1 3.67Å; L411-L465 HydrophobicContact CB-CG 4.4Å; V412-L465 HydrophobicContact CG2-CD1 3.83Å; R463-L465 VanDerWaalsContact C-N 3.33Å; L465-P467 CarbonylContact O-C 3.39Å; L465-I469 HydrophobicContact CD2-CD1 4.5Å; L465-I469 HydrophobicContact CD2-CG1 3.54Å; L465-L472 HydrophobicContact CD2-CD1 3.63Å
466	E	73.6	Confident	79.7	Confident	121 Å²	121	57 Å²	57	57%	0.565	30%	0.295	S	S	*	.	S	Bend	trans	-116.1	128.9	174.5	-63.7	-164.5	171.9	0	0	112.1	E464 R690	E464-E466 PolarHBondContact O-N 2.89Å; E466-R690 IonicContact OE1-CZ 3.68Å; E466-R690 IonicContact OE1-NH1 3.74Å; E466-R690 PolarHBondContact OE1-NH1 3.15Å; E466-R690 IonicContact OE1-NH2 2.78Å; E466-R690 PolarHBondContact OE1-NH2 3.37Å
467	P	77.8	Confident	79.4	Confident	43 Å²	43	60.6 Å²	60.6	28%	0.279	31%	0.312	S	S	.	.	S	Bend	cis	-72.8	162.8	-6.2	36.2	-38	0	0	0	111.8	L465 T471 L472	L465-P467 CarbonylContact O-C 3.39Å; P467-T471 WeakPolarHBondContact CB-OG1 3.44Å; P467-L472 HydrophobicContact CG-CD2 3.77Å; P467-L472 HydrophobicContact CG-CG 4.07Å; P467-L472 WeakPolarHBondContact O-CD1 3.45Å
468	P	78.2	Confident	79.3	Confident	67 Å²	67	59.7 Å²	59.7	44%	0.435	30%	0.303	S	S	.	.			trans	-57.7	152.2	-173.7	-26.7	35.4	0	0	0	114.3	E470 T471 L472	P468-E470 PolarHBondContact O-N 3.46Å; P468-T471 HydrophobicContact CB-CG2 4.41Å; P468-T471 WeakPolarHBondContact O-CA 3.38Å; P468-T471 WeakPolarHBondContact O-CB 3.47Å; P468-T471 PolarHBondContact O-N 3.34Å; P468-T471 PolarHBondContact O-OG1 3.46Å; P468-L472 PolarHBondContact O-N 2.88Å
469	I	78.9	Confident	79.3	Confident	10 Å²	10	61.5 Å²	61.5	5%	0.051	31%	0.311	C	S	.	.	H	α-helix	trans	-55.4	-39.6	-174.6	-61.5	162.3	0	0	0	111.5	L408 L460 L465 T471 L472 V473 K478 L482	L408-I469 HydrophobicContact CD1-CG1 4.37Å; L460-I469 HydrophobicContact CD2-CD1 3.83Å; L465-I469 HydrophobicContact CD2-CD1 4.5Å; L465-I469 HydrophobicContact CD2-CG1 3.54Å; I469-T471 PolarHBondContact O-N 3.47Å; I469-L472 PolarHBondContact O-N 3.29Å; I469-V473 PolarHBondContact O-N 3.47Å; I469-K478 HydrophobicContact CG2-CD 4.28Å; I469-K478 HydrophobicContact CG2-CG 3.9Å; I469-L482 HydrophobicContact CD1-CD2 4.14Å
470	E	77.2	Confident	79.2	Confident	110 Å²	110	63.3 Å²	63.3	51%	0.514	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-26	177.5	-64.3	63.7	-142.5	0	0	113	P468 K478	P468-E470 PolarHBondContact O-N 3.46Å; E470-K478 WeakPolarHBondContact OE1-CE 3.12Å; E470-K478 IonicContact OE1-NZ 3.75Å; E470-K478 PolarHBondContact OE1-NZ 3.37Å
471	T	77.3	Confident	79.4	Confident	95 Å²	95	60.5 Å²	60.5	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-92.4	-16.2	177.4	73.3	0	0	0	0	112.9	P467 P468 I469	P467-T471 WeakPolarHBondContact CB-OG1 3.44Å; P468-T471 HydrophobicContact CB-CG2 4.41Å; P468-T471 WeakPolarHBondContact O-CA 3.38Å; P468-T471 WeakPolarHBondContact O-CB 3.47Å; P468-T471 PolarHBondContact O-N 3.34Å; P468-T471 PolarHBondContact O-OG1 3.46Å; I469-T471 PolarHBondContact O-N 3.47Å
472	L	73.6	Confident	79.8	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-92.4	-45.7	-178.4	-71.8	172.4	0	0	0	112.2	P404 R407 L408 L411 L465 P467 P468 I469	P404-L472 WeakPolarHBondContact CB-O 3.18Å; R407-L472 HydrophobicContact CG-CD2 4.13Å; L408-L472 HydrophobicContact CD1-CD1 4.11Å; L411-L472 HydrophobicContact CD1-CD1 3.74Å; L411-L472 HydrophobicContact CD1-CD2 4.22Å; L465-L472 HydrophobicContact CD2-CD1 3.63Å; P467-L472 HydrophobicContact CG-CD2 3.77Å; P467-L472 HydrophobicContact CG-CG 4.07Å; P467-L472 WeakPolarHBondContact O-CD1 3.45Å; P468-L472 PolarHBondContact O-N 2.88Å; I469-L472 PolarHBondContact O-N 3.29Å
473	V	79.1	Confident	80.5	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.024	28%	0.281	C	S	.	.	S	Bend	trans	-131.7	133.4	-170.2	-173.2	0	0	0	0	110.9	P404 L408 I469 E477 A481	P404-V473 HydrophobicContact CB-CG2 4.41Å; L408-V473 HydrophobicContact CB-CG2 4.02Å; L408-V473 HydrophobicContact CD2-CG2 3.77Å; L408-V473 HydrophobicContact CG-CG2 4.48Å; I469-V473 PolarHBondContact O-N 3.47Å; V473-E477 HydrophobicContact CG1-CB 3.88Å; V473-A481 HydrophobicContact CG1-CB 3.93Å; V473-A481 HydrophobicContact CG2-CB 4.1Å
474	P	77.9	Confident	81.1	Confident	64 Å²	64	50.2 Å²	50.2	42%	0.416	26%	0.26	S	S	.	.			trans	-54.5	140.4	172.2	-26.8	35.9	0	0	0	113	N476 E477 K478	P474-N476 WeakPolarHBondContact CB-OD1 3.36Å; P474-N476 PolarHBondContact O-N 3.09Å; P474-E477 PolarHBondContact O-N 3.39Å; P474-K478 PolarHBondContact O-N 3.37Å
475	E	78.4	Confident	81.8	Confident	106 Å²	106	49 Å²	49	50%	0.495	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.8	-177.3	-71.4	-64.3	141	0	0	114	E477 K478	E475-E477 VanDerWaalsContact C-N 3.29Å; E475-E477 PolarHBondContact O-N 3.16Å; E475-K478 VanDerWaalsContact CD-NZ 3.34Å; E475-K478 WeakPolarHBondContact OE1-CD 3.3Å; E475-K478 IonicContact OE1-NZ 4Å; E475-K478 PolarHBondContact OE1-NZ 2.96Å; E475-K478 WeakPolarHBondContact OE2-CD 3.23Å; E475-K478 IonicContact OE2-NZ 2.75Å; E475-K478 PolarHBondContact OE2-NZ 2.95Å
476	N	75.4	Confident	82.4	Confident	90 Å²	90	48.5 Å²	48.5	48%	0.481	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-18.5	175.5	63.2	-81.3	0	0	0	114.4	F241 P474	F241-N476 HydrophobicContact CE1-CB 4.45Å; P474-N476 WeakPolarHBondContact CB-OD1 3.36Å; P474-N476 PolarHBondContact O-N 3.09Å
477	E	81.4	Confident	83.4	Confident	94 Å²	94	42.8 Å²	42.8	44%	0.439	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-20.8	-177.7	-84	158.9	-122.4	0	0	113.4	V473 P474 E475 D479 L480 A481	V473-E477 HydrophobicContact CG1-CB 3.88Å; P474-E477 PolarHBondContact O-N 3.39Å; E475-E477 VanDerWaalsContact C-N 3.29Å; E475-E477 PolarHBondContact O-N 3.16Å; E477-D479 VanDerWaalsContact C-N 3.33Å; E477-D479 PolarHBondContact O-N 3.01Å; E477-D479 VanDerWaalsContact O-N 3.16Å; E477-L480 WeakPolarHBondContact O-CB 3.38Å; E477-L480 PolarHBondContact O-N 3.09Å; E477-A481 PolarHBondContact O-N 3.45Å
478	K	83.9	Confident	84.2	Confident	28 Å²	28	41 Å²	41	12%	0.122	21%	0.214	C	C	.	.	H	α-helix	trans	-36.8	-55	176.9	-174.8	174.9	-171.7	173.4	0	114.1	I469 E470 P474 E475 L480 A481 L482	I469-K478 HydrophobicContact CG2-CD 4.28Å; I469-K478 HydrophobicContact CG2-CG 3.9Å; E470-K478 WeakPolarHBondContact OE1-CE 3.12Å; E470-K478 IonicContact OE1-NZ 3.75Å; E470-K478 PolarHBondContact OE1-NZ 3.37Å; P474-K478 PolarHBondContact O-N 3.37Å; E475-K478 VanDerWaalsContact CD-NZ 3.34Å; E475-K478 WeakPolarHBondContact OE1-CD 3.3Å; E475-K478 IonicContact OE1-NZ 4Å; E475-K478 PolarHBondContact OE1-NZ 2.96Å; E475-K478 WeakPolarHBondContact OE2-CD 3.23Å; E475-K478 IonicContact OE2-NZ 2.75Å; E475-K478 PolarHBondContact OE2-NZ 2.95Å; K478-L480 PolarHBondContact O-N 2.94Å; K478-A481 PolarHBondContact O-N 3.01Å; K478-L482 HydrophobicContact CG-CD1 3.94Å; K478-L482 WeakPolarHBondContact O-CB 3.26Å; K478-L482 VanDerWaalsContact O-CG 3.27Å; K478-L482 WeakPolarHBondContact O-CG 3.24Å; K478-L482 PolarHBondContact O-N 3.02Å
479	D	84.7	Confident	85	Confident	53 Å²	53	38.2 Å²	38.2	28%	0.283	20%	0.195	S	C	.	.	H	α-helix	trans	-59.7	-39.4	179.3	-95.8	-45.1	0	0	0	114.5	R243 K456 E477 E483	R243-D479 VanDerWaalsContact NH2-CB 3.25Å; K456-D479 WeakPolarHBondContact CE-OD1 3.18Å; K456-D479 IonicContact NZ-OD1 3.23Å; K456-D479 PolarHBondContact NZ-OD1 3.31Å; E477-D479 VanDerWaalsContact C-N 3.33Å; E477-D479 PolarHBondContact O-N 3.01Å; E477-D479 VanDerWaalsContact O-N 3.16Å; D479-E483 WeakPolarHBondContact O-CG 3.35Å; D479-E483 PolarHBondContact O-N 3.33Å; D479-E483 VanDerWaalsContact O-N 3.09Å
480	L	85.9	Confident	85.7	Confident	38 Å²	38	37.7 Å²	37.7	20%	0.199	19%	0.193	C	C	.	.	H	α-helix	trans	-74	-40.9	178.2	163.5	61.4	0	0	0	110.7	E477 K478 L482 E483 R484 I560 W621	E477-L480 WeakPolarHBondContact O-CB 3.38Å; E477-L480 PolarHBondContact O-N 3.09Å; K478-L480 PolarHBondContact O-N 2.94Å; L480-L482 VanDerWaalsContact C-N 3.32Å; L480-E483 PolarHBondContact O-N 3.47Å; L480-R484 HydrophobicContact CD1-CG 4.11Å; L480-R484 WeakPolarHBondContact O-CB 3.4Å; L480-R484 WeakPolarHBondContact O-CG 3.49Å; L480-R484 PolarHBondContact O-N 2.89Å; L480-I560 HydrophobicContact CD1-CD1 3.73Å; L480-I560 HydrophobicContact CD1-CG2 4.49Å; L480-W621 HydrophobicContact CB-CZ2 4.17Å; L480-W621 HydrophobicContact CD1-CH2 3.88Å; L480-W621 HydrophobicContact CD1-CZ2 3.65Å; L480-W621 HydrophobicContact CD2-CH2 4.29Å; L480-W621 HydrophobicContact CG-CH2 4.49Å; L480-W621 HydrophobicContact CG-CZ2 4.33Å
481	A	88.7	Confident	86.5	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.033	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-36.8	178	0	0	0	0	0	111.4	L408 V473 E477 K478 A485	L408-A481 HydrophobicContact CD2-CB 3.73Å; V473-A481 HydrophobicContact CG1-CB 3.93Å; V473-A481 HydrophobicContact CG2-CB 4.1Å; E477-A481 PolarHBondContact O-N 3.45Å; K478-A481 PolarHBondContact O-N 3.01Å; A481-A485 WeakPolarHBondContact O-CB 3.17Å; A481-A485 PolarHBondContact O-N 3.14Å
482	L	89.5	Confident	87.3	Confident	2 Å²	2	33 Å²	33	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-47.6	173.3	-71.9	167.6	0	0	0	112.8	L408 K456 L459 L460 I469 K478 L480 R484 A485 M486	L408-L482 HydrophobicContact CD2-CD2 4.12Å; L408-L482 HydrophobicContact CD2-CG 4.31Å; K456-L482 HydrophobicContact CG-CB 4.48Å; L459-L482 HydrophobicContact CD2-CD2 3.84Å; L460-L482 HydrophobicContact CD1-CD1 4.46Å; L460-L482 HydrophobicContact CD2-CD1 3.97Å; L460-L482 HydrophobicContact CG-CD1 4.43Å; I469-L482 HydrophobicContact CD1-CD2 4.14Å; K478-L482 HydrophobicContact CG-CD1 3.94Å; K478-L482 WeakPolarHBondContact O-CB 3.26Å; K478-L482 VanDerWaalsContact O-CG 3.27Å; K478-L482 WeakPolarHBondContact O-CG 3.24Å; K478-L482 PolarHBondContact O-N 3.02Å; L480-L482 VanDerWaalsContact C-N 3.32Å; L482-R484 VanDerWaalsContact C-N 3.3Å; L482-R484 PolarHBondContact O-N 3.21Å; L482-A485 PolarHBondContact O-N 2.82Å; L482-A485 VanDerWaalsContact O-N 3.14Å; L482-M486 WeakPolarHBondContact O-CG 3.16Å; L482-M486 PolarHBondContact O-N 2.8Å
483	E	90.7	Very high	88.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-57.1	-44.5	174.2	-74.1	-82.6	136.1	0	0	111	R449 K456 D479 L480 A485 M486 F487 I560	R449-E483 IonicContact CZ-OE1 3.48Å; R449-E483 IonicContact CZ-OE2 3.69Å; R449-E483 IonicContact NH1-OE1 2.71Å; R449-E483 IonicContact NH1-OE2 3.2Å; R449-E483 PolarHBondContact NH1-OE2 3.22Å; R449-E483 IonicContact NH2-OE1 2.72Å; R449-E483 PolarHBondContact NH2-OE1 2.99Å; R449-E483 IonicContact NH2-OE2 3.83Å; R449-E483 PolarHBondContact NH2-OE2 3.02Å; K456-E483 IonicContact NZ-OE1 3.35Å; D479-E483 WeakPolarHBondContact O-CG 3.35Å; D479-E483 PolarHBondContact O-N 3.33Å; D479-E483 VanDerWaalsContact O-N 3.09Å; L480-E483 PolarHBondContact O-N 3.47Å; E483-A485 PolarHBondContact O-N 3.38Å; E483-M486 PolarHBondContact O-N 2.74Å; E483-F487 HydrophobicContact CB-CE2 4.2Å; E483-F487 HydrophobicContact CB-CZ 4.11Å; E483-F487 WeakPolarHBondContact O-CD1 3.35Å; E483-F487 VanDerWaalsContact O-CD2 3.29Å; E483-F487 WeakPolarHBondContact O-CD2 3.27Å; E483-F487 WeakPolarHBondContact O-CG 3.45Å; E483-F487 PolarHBondContact O-N 3.48Å; E483-F487 WeakPolarHBondContact OE2-CZ 3.47Å; E483-I560 HydrophobicContact CB-CD1 4.43Å
484	R	91.4	Very high	88.8	Confident	76 Å²	76	36 Å²	36	29%	0.287	18%	0.18	S	C	.	.	H	α-helix	trans	-60.2	-42.9	174.2	-82.3	-179.6	157.3	175.2	-3.1	112.6	L480 L482 F487 S488 D561	L480-R484 HydrophobicContact CD1-CG 4.11Å; L480-R484 WeakPolarHBondContact O-CB 3.4Å; L480-R484 WeakPolarHBondContact O-CG 3.49Å; L480-R484 PolarHBondContact O-N 2.89Å; L482-R484 VanDerWaalsContact C-N 3.3Å; L482-R484 PolarHBondContact O-N 3.21Å; R484-F487 PolarHBondContact O-N 2.96Å; R484-S488 WeakPolarHBondContact O-CB 3.37Å; R484-S488 PolarHBondContact O-N 2.74Å; R484-D561 IonicContact CZ-OD1 3.95Å; R484-D561 IonicContact NE-OD1 2.71Å; R484-D561 IonicContact NE-OD2 2.74Å; R484-D561 IonicContact NH2-OD1 3.67Å; R484-D561 PolarHBondContact NH2-OD1 3.16Å; R484-D561 IonicContact NH2-OD2 3.68Å
485	A	93.1	Very high	89.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-42.9	176.2	0	0	0	0	0	112	V412 A481 L482 E483 F487 S488 C489	V412-A485 HydrophobicContact CB-CB 3.99Å; V412-A485 HydrophobicContact CG1-CB 3.92Å; V412-A485 HydrophobicContact CG2-CB 4.17Å; A481-A485 WeakPolarHBondContact O-CB 3.17Å; A481-A485 PolarHBondContact O-N 3.14Å; L482-A485 PolarHBondContact O-N 2.82Å; L482-A485 VanDerWaalsContact O-N 3.14Å; E483-A485 PolarHBondContact O-N 3.38Å; A485-F487 PolarHBondContact O-N 3.37Å; A485-S488 WeakPolarHBondContact O-CA 3.45Å; A485-S488 WeakPolarHBondContact O-CB 3.39Å; A485-S488 PolarHBondContact O-N 3.29Å; A485-C489 PolarHBondContact O-N 3.27Å; A485-C489 PolarHBondContact O-SG 2.87Å
486	M	94.4	Very high	90	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-44	174.1	-64	-57.5	96.1	0	0	111.8	V412 F423 L452 A455 K456 L459 L482 E483 S488 C489 I490	V412-M486 HydrophobicContact CG1-CE 3.66Å; F423-M486 HydrophobicContact CE2-CE 3.82Å; F423-M486 HydrophobicContact CE2-SD 4.03Å; F423-M486 HydrophobicContact CZ-CE 3.6Å; F423-M486 HydrophobicContact CZ-SD 4.2Å; L452-M486 HydrophobicContact CD2-CB 3.78Å; A455-M486 HydrophobicContact CB-SD 3.79Å; K456-M486 HydrophobicContact CB-CG 4.16Å; K456-M486 HydrophobicContact CB-SD 4.32Å; L459-M486 HydrophobicContact CD2-CE 3.66Å; L482-M486 WeakPolarHBondContact O-CG 3.16Å; L482-M486 PolarHBondContact O-N 2.8Å; E483-M486 PolarHBondContact O-N 2.74Å; M486-S488 PolarHBondContact O-N 2.8Å; M486-C489 PolarHBondContact O-N 2.98Å; M486-I490 WeakPolarHBondContact O-CB 3.33Å; M486-I490 PolarHBondContact O-N 2.72Å; M486-I490 HydrophobicContact SD-CD1 4.31Å
487	F	94.8	Very high	90.7	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.17	C	C	.	.	I	π-helix	trans	-64	-32.7	174.4	-52.9	-26.2	0	0	0	112	L452 E483 R484 A485 L491 R492 P559 I560	L452-F487 HydrophobicContact CD1-CD1 4.33Å; L452-F487 HydrophobicContact CD1-CE1 4.17Å; L452-F487 HydrophobicContact CD2-CD1 4.19Å; E483-F487 HydrophobicContact CB-CE2 4.2Å; E483-F487 HydrophobicContact CB-CZ 4.11Å; E483-F487 WeakPolarHBondContact O-CD1 3.35Å; E483-F487 VanDerWaalsContact O-CD2 3.29Å; E483-F487 WeakPolarHBondContact O-CD2 3.27Å; E483-F487 WeakPolarHBondContact O-CG 3.45Å; E483-F487 PolarHBondContact O-N 3.48Å; E483-F487 WeakPolarHBondContact OE2-CZ 3.47Å; R484-F487 PolarHBondContact O-N 2.96Å; A485-F487 PolarHBondContact O-N 3.37Å; F487-L491 HydrophobicContact CB-CB 4.38Å; F487-L491 HydrophobicContact CB-CD1 3.99Å; F487-L491 HydrophobicContact CB-CG 4.39Å; F487-L491 HydrophobicContact CD1-CD1 3.37Å; F487-L491 HydrophobicContact CD1-CG 4.13Å; F487-L491 HydrophobicContact CE1-CD1 4.1Å; F487-L491 HydrophobicContact CG-CD1 3.85Å; F487-L491 WeakPolarHBondContact O-CA 3.46Å; F487-L491 WeakPolarHBondContact O-CB 3.31Å; F487-L491 PolarHBondContact O-N 3.17Å; F487-L491 VanDerWaalsContact O-N 3.14Å; F487-R492 PolarHBondContact O-N 2.85Å; F487-P559 HydrophobicContact CE1-CG 4.4Å; F487-P559 HydrophobicContact CZ-CG 4.33Å; F487-I560 HydrophobicContact CE2-CB 4.48Å; F487-I560 HydrophobicContact CE2-CD1 3.77Å; F487-I560 HydrophobicContact CE2-CG1 3.88Å; F487-I560 HydrophobicContact CZ-CD1 4.46Å
488	S	94.3	Very high	91.1	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.035	15%	0.151	C	C	.	.	I	π-helix	trans	-65	-47.5	177.9	-141.6	0	0	0	0	112.6	T409 E413 R484 A485 M486 R492	T409-S488 VanDerWaalsContact CG2-CB 3.49Å; T409-S488 WeakPolarHBondContact CG2-OG 3.23Å; E413-S488 WeakPolarHBondContact OE1-CB 3.42Å; E413-S488 PolarHBondContact OE1-OG 3.31Å; R484-S488 WeakPolarHBondContact O-CB 3.37Å; R484-S488 PolarHBondContact O-N 2.74Å; A485-S488 WeakPolarHBondContact O-CA 3.45Å; A485-S488 WeakPolarHBondContact O-CB 3.39Å; A485-S488 PolarHBondContact O-N 3.29Å; M486-S488 PolarHBondContact O-N 2.8Å; S488-R492 VanDerWaalsContact O-CB 3.3Å; S488-R492 WeakPolarHBondContact O-CB 3.47Å; S488-R492 VanDerWaalsContact OG-CZ 3.28Å; S488-R492 PolarHBondContact OG-NH1 3.33Å; S488-R492 PolarHBondContact OG-NH2 2.88Å
489	C	94.1	Very high	91.5	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.054	16%	0.157	C	C	.	.	I	π-helix	trans	-89.3	-28.4	-176.1	63.5	0	0	0	0	114.2	E413 A416 A485 M486 P493	E413-C489 HydrophobicContact CG-CB 4.15Å; A416-C489 HydrophobicContact CB-CB 3.62Å; A485-C489 PolarHBondContact O-N 3.27Å; A485-C489 PolarHBondContact O-SG 2.87Å; M486-C489 PolarHBondContact O-N 2.98Å; C489-P493 WeakPolarHBondContact O-CD 3.33Å; C489-P493 WeakPolarHBondContact O-CG 3.23Å
490	I	94	Very high	91.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-105	-50.3	-176	-62.6	154.2	0	0	0	112.1	V427 F430 L448 F451 L452 A455 M486 P493 L494	V427-I490 HydrophobicContact CG1-CG1 3.99Å; V427-I490 HydrophobicContact CG2-CD1 4.27Å; V427-I490 HydrophobicContact CG2-CG1 4.29Å; F430-I490 HydrophobicContact CD1-CG2 4.29Å; F430-I490 HydrophobicContact CE1-CG2 3.99Å; L448-I490 HydrophobicContact CD1-CG2 4.01Å; F451-I490 HydrophobicContact CD1-CD1 4.06Å; F451-I490 HydrophobicContact CD1-CG2 4.3Å; F451-I490 HydrophobicContact CE1-CD1 3.68Å; F451-I490 HydrophobicContact CE1-CG1 4.09Å; F451-I490 HydrophobicContact CE1-CG2 4.42Å; L452-I490 HydrophobicContact CD2-CB 4.03Å; L452-I490 HydrophobicContact CD2-CD1 3.91Å; L452-I490 HydrophobicContact CD2-CG2 4.11Å; A455-I490 HydrophobicContact CB-CD1 3.9Å; M486-I490 WeakPolarHBondContact O-CB 3.33Å; M486-I490 PolarHBondContact O-N 2.72Å; M486-I490 HydrophobicContact SD-CD1 4.31Å; I490-P493 WeakPolarHBondContact O-CD 3.43Å; I490-L494 HydrophobicContact CG2-CD1 4.07Å; I490-L494 WeakPolarHBondContact O-CB 3.27Å; I490-L494 VanDerWaalsContact O-CG 3.31Å; I490-L494 WeakPolarHBondContact O-CG 3.49Å
491	L	94.3	Very high	92	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-76.7	-32.7	-175.3	-63.1	-176.8	0	0	0	113.2	L448 L452 F487 L494 K495 L498 P559 L616	L448-L491 HydrophobicContact CD1-CD2 4.01Å; L448-L491 HydrophobicContact CD2-CD2 3.54Å; L448-L491 HydrophobicContact CG-CD2 3.84Å; L452-L491 HydrophobicContact CD1-CD1 4.23Å; L452-L491 HydrophobicContact CD1-CD2 4.15Å; L452-L491 HydrophobicContact CD1-CG 4.29Å; L452-L491 HydrophobicContact CD2-CG 4.34Å; F487-L491 HydrophobicContact CB-CB 4.38Å; F487-L491 HydrophobicContact CB-CD1 3.99Å; F487-L491 HydrophobicContact CB-CG 4.39Å; F487-L491 HydrophobicContact CD1-CD1 3.37Å; F487-L491 HydrophobicContact CD1-CG 4.13Å; F487-L491 HydrophobicContact CE1-CD1 4.1Å; F487-L491 HydrophobicContact CG-CD1 3.85Å; F487-L491 WeakPolarHBondContact O-CA 3.46Å; F487-L491 WeakPolarHBondContact O-CB 3.31Å; F487-L491 PolarHBondContact O-N 3.17Å; F487-L491 VanDerWaalsContact O-N 3.14Å; L491-L494 PolarHBondContact O-N 2.89Å; L491-K495 PolarHBondContact O-N 3.43Å; L491-L498 HydrophobicContact CD2-CD1 4.32Å; L491-P559 HydrophobicContact CD1-CG 3.85Å; L491-L616 HydrophobicContact CD1-CD1 4.29Å; L491-L616 HydrophobicContact CD2-CD1 4.27Å
492	R	94.2	Very high	92.1	Very high	105 Å²	105	36 Å²	36	40%	0.396	18%	0.178	S	C	.	.	H	α-helix	trans	-63.6	-48.4	179.3	-168.3	-175.5	-60.7	141.2	8.4	113.1	E413 F487 S488 L494 K495 H557	E413-R492 IonicContact OE1-CZ 2.81Å; E413-R492 IonicContact OE1-NH1 2.68Å; E413-R492 PolarHBondContact OE1-NH1 3.45Å; E413-R492 IonicContact OE1-NH2 3.21Å; E413-R492 IonicContact OE2-NH1 3.51Å; F487-R492 PolarHBondContact O-N 2.85Å; S488-R492 VanDerWaalsContact O-CB 3.3Å; S488-R492 WeakPolarHBondContact O-CB 3.47Å; S488-R492 VanDerWaalsContact OG-CZ 3.28Å; S488-R492 PolarHBondContact OG-NH1 3.33Å; S488-R492 PolarHBondContact OG-NH2 2.88Å; R492-L494 VanDerWaalsContact C-N 3.34Å; R492-K495 PolarHBondContact O-N 3.09Å; R492-H557 PolarHBondContact NE-CE1 3.23Å; R492-H557 VanDerWaalsContact NE-CE1 3.26Å; R492-H557 PolarHBondContact NE-NE2 3.46Å; R492-H557 VanDerWaalsContact NE-NE2 3.13Å; R492-H557 PolarHBondContact NH2-NE2 2.66Å
493	P	92.4	Very high	92.2	Very high	70 Å²	70	38.1 Å²	38.1	46%	0.455	19%	0.191	S	C	.	.	H	α-helix	trans	-68	-33.2	177	-21.1	35.4	0	0	0	113	L431 C489 I490	L431-P493 HydrophobicContact CD2-CB 4.3Å; C489-P493 WeakPolarHBondContact O-CD 3.33Å; C489-P493 WeakPolarHBondContact O-CG 3.23Å; I490-P493 WeakPolarHBondContact O-CD 3.43Å
494	L	91.1	Very high	92.3	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-76.7	-19.5	179.3	-67.6	177.9	0	0	0	113.7	F430 L431 Q434 L448 I490 L491 R492 C496 H497 L498	F430-L494 HydrophobicContact CE1-CD1 4.01Å; L431-L494 HydrophobicContact CD2-CD1 3.97Å; L431-L494 HydrophobicContact CD2-CD2 3.77Å; L431-L494 HydrophobicContact CD2-CG 3.54Å; Q434-L494 HydrophobicContact CB-CD2 4.3Å; L448-L494 HydrophobicContact CD1-CD1 3.98Å; I490-L494 HydrophobicContact CG2-CD1 4.07Å; I490-L494 WeakPolarHBondContact O-CB 3.27Å; I490-L494 VanDerWaalsContact O-CG 3.31Å; I490-L494 WeakPolarHBondContact O-CG 3.49Å; L491-L494 PolarHBondContact O-N 2.89Å; R492-L494 VanDerWaalsContact C-N 3.34Å; L494-C496 PolarHBondContact O-N 2.99Å; L494-H497 WeakPolarHBondContact O-CA 3.35Å; L494-H497 WeakPolarHBondContact O-CB 3.46Å; L494-H497 PolarHBondContact O-N 3.23Å; L494-L498 HydrophobicContact CB-CD1 3.72Å; L494-L498 HydrophobicContact CB-CG 3.96Å; L494-L498 WeakPolarHBondContact O-CG 2.92Å; L494-L498 PolarHBondContact O-N 3.2Å
495	K	91.5	Very high	92.3	Very high	37 Å²	37	39.2 Å²	39.2	16%	0.161	21%	0.208	C	C	.	.	H	α-helix	trans	-41.5	-58.9	-171.1	-170.8	-170	-179.9	-79.6	0	113.8	L491 R492 H497 L498 E499 Q554 R555 T556 H557	L491-K495 PolarHBondContact O-N 3.43Å; R492-K495 PolarHBondContact O-N 3.09Å; K495-H497 PolarHBondContact O-N 3.21Å; K495-L498 PolarHBondContact O-N 2.88Å; K495-E499 IonicContact NZ-OE1 3.9Å; K495-E499 PolarHBondContact NZ-OE1 2.93Å; K495-E499 IonicContact NZ-OE2 3.19Å; K495-E499 PolarHBondContact NZ-OE2 3.49Å; K495-E499 WeakPolarHBondContact O-CG 3.31Å; K495-E499 PolarHBondContact O-N 3.38Å; K495-Q554 WeakPolarHBondContact CE-O 3.43Å; K495-Q554 PolarHBondContact NZ-O 2.82Å; K495-R555 WeakPolarHBondContact CE-O 3.38Å; K495-T556 WeakPolarHBondContact CE-O 3.41Å; K495-H557 HydrophobicContact CD-CB 4.24Å
496	C	90.3	Very high	92.2	Very high	80 Å²	80	39.4 Å²	39.4	54%	0.541	21%	0.209	S	C	.	.	H	α-helix	trans	-68.5	-20	-176	-56.6	0	0	0	0	113.9	L494 K500	L494-C496 PolarHBondContact O-N 2.99Å; C496-K500 WeakPolarHBondContact O-CD 3.38Å; C496-K500 VanDerWaalsContact O-CG 3.3Å; C496-K500 WeakPolarHBondContact O-CG 3.32Å
497	H	89.6	Confident	92	Very high	104 Å²	104	41.9 Å²	41.9	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-81.2	-43.4	172.6	-61.4	91.5	0	0	0	110.5	L494 K495 K500 A501	L494-H497 WeakPolarHBondContact O-CA 3.35Å; L494-H497 WeakPolarHBondContact O-CB 3.46Å; L494-H497 PolarHBondContact O-N 3.23Å; K495-H497 PolarHBondContact O-N 3.21Å; H497-K500 PolarHBondContact O-N 3.3Å; H497-A501 WeakPolarHBondContact O-CB 3.29Å; H497-A501 PolarHBondContact O-N 3.28Å
498	L	90.8	Very high	91.7	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-44.3	176.8	-62.7	170.7	0	0	0	111.6	L444 L448 L491 L494 K495 K500 A501 L502 Y612	L444-L498 HydrophobicContact CD1-CD2 3.95Å; L444-L498 HydrophobicContact CD2-CD2 3.98Å; L444-L498 HydrophobicContact CG-CD2 4.14Å; L448-L498 HydrophobicContact CD2-CD1 3.62Å; L448-L498 HydrophobicContact CD2-CD2 3.91Å; L448-L498 HydrophobicContact CD2-CG 4.44Å; L491-L498 HydrophobicContact CD2-CD1 4.32Å; L494-L498 HydrophobicContact CB-CD1 3.72Å; L494-L498 HydrophobicContact CB-CG 3.96Å; L494-L498 WeakPolarHBondContact O-CG 2.92Å; L494-L498 PolarHBondContact O-N 3.2Å; K495-L498 PolarHBondContact O-N 2.88Å; L498-K500 VanDerWaalsContact C-N 3.31Å; L498-K500 PolarHBondContact O-N 3.48Å; L498-A501 PolarHBondContact O-N 2.62Å; L498-L502 WeakPolarHBondContact O-CB 3.42Å; L498-L502 VanDerWaalsContact O-CG 3.22Å; L498-L502 WeakPolarHBondContact O-CG 3.25Å; L498-L502 PolarHBondContact O-N 2.59Å; L498-Y612 HydrophobicContact CD1-CE2 4.17Å
499	E	90.8	Very high	91.4	Very high	52 Å²	52	54.3 Å²	54.3	24%	0.243	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-43.5	175.3	-75.7	175.2	123.7	0	0	111.8	K495 T503	K495-E499 IonicContact NZ-OE1 3.9Å; K495-E499 PolarHBondContact NZ-OE1 2.93Å; K495-E499 IonicContact NZ-OE2 3.19Å; K495-E499 PolarHBondContact NZ-OE2 3.49Å; K495-E499 WeakPolarHBondContact O-CG 3.31Å; K495-E499 PolarHBondContact O-N 3.38Å; E499-T503 WeakPolarHBondContact O-CB 3.3Å; E499-T503 PolarHBondContact O-N 3.36Å; E499-T503 PolarHBondContact O-OG1 2.81Å
500	K	90.4	Very high	91.1	Very high	161 Å²	161	55.4 Å²	55.4	70%	0.7	29%	0.291	S	S	*	.	H	α-helix	trans	-67	-46.3	175.9	-72.9	176.8	-179.6	-174.6	0	112.1	C496 H497 L498 S504	C496-K500 WeakPolarHBondContact O-CD 3.38Å; C496-K500 VanDerWaalsContact O-CG 3.3Å; C496-K500 WeakPolarHBondContact O-CG 3.32Å; H497-K500 PolarHBondContact O-N 3.3Å; L498-K500 VanDerWaalsContact C-N 3.31Å; L498-K500 PolarHBondContact O-N 3.48Å; K500-S504 VanDerWaalsContact O-CB 3.31Å; K500-S504 WeakPolarHBondContact O-CB 3.39Å; K500-S504 PolarHBondContact O-N 3.36Å
501	A	90.9	Very high	90.9	Very high	31 Å²	31	56.4 Å²	56.4	26%	0.256	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-49.6	-178.8	0	0	0	0	0	112	L444 H497 L498 S504 F505	L444-A501 HydrophobicContact CD2-CB 3.89Å; H497-A501 WeakPolarHBondContact O-CB 3.29Å; H497-A501 PolarHBondContact O-N 3.28Å; L498-A501 PolarHBondContact O-N 2.62Å; A501-S504 WeakPolarHBondContact O-CB 3.38Å; A501-S504 PolarHBondContact O-N 3.13Å; A501-F505 HydrophobicContact CB-CE2 4.38Å; A501-F505 WeakPolarHBondContact O-CD2 3.22Å; A501-F505 PolarHBondContact O-N 3.43Å
502	L	92	Very high	90.7	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-45.9	178.5	-63.2	168.8	0	0	0	111.3	L444 L445 L498 S504 F505 H506 V608 Y612	L444-L502 HydrophobicContact CD2-CD2 4.23Å; L445-L502 HydrophobicContact CD1-CD2 4.04Å; L445-L502 HydrophobicContact CD2-CD1 4.21Å; L445-L502 HydrophobicContact CD2-CD2 4.35Å; L445-L502 HydrophobicContact CG-CD2 4.1Å; L498-L502 WeakPolarHBondContact O-CB 3.42Å; L498-L502 VanDerWaalsContact O-CG 3.22Å; L498-L502 WeakPolarHBondContact O-CG 3.25Å; L498-L502 PolarHBondContact O-N 2.59Å; L502-S504 PolarHBondContact O-N 2.79Å; L502-F505 PolarHBondContact O-N 3.34Å; L502-F505 VanDerWaalsContact O-N 3.15Å; L502-H506 PolarHBondContact O-CD2 3.35Å; L502-H506 PolarHBondContact O-N 3.41Å; L502-V608 HydrophobicContact CB-CG1 3.54Å; L502-V608 HydrophobicContact CD1-CG1 3.81Å; L502-V608 HydrophobicContact CG-CG1 4.27Å; L502-Y612 HydrophobicContact CD1-CD2 4.05Å
503	T	91.3	Very high	90.6	Very high	46 Å²	46	56.8 Å²	56.8	28%	0.282	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-36.6	175.1	-54.5	0	0	0	0	111.4	E499 S507	E499-T503 WeakPolarHBondContact O-CB 3.3Å; E499-T503 PolarHBondContact O-N 3.36Å; E499-T503 PolarHBondContact O-OG1 2.81Å; T503-S507 VanDerWaalsContact O-CB 3.26Å; T503-S507 WeakPolarHBondContact O-CB 3.44Å; T503-S507 PolarHBondContact O-N 3.48Å; T503-S507 PolarHBondContact O-OG 2.99Å
504	S	91.9	Very high	90.5	Very high	76 Å²	76	55.9 Å²	55.9	53%	0.531	30%	0.301	S	S	.	.	H	α-helix	trans	-66	-43.1	174.3	-172.3	0	0	0	0	112.5	K500 A501 L502 S507 R508	K500-S504 VanDerWaalsContact O-CB 3.31Å; K500-S504 WeakPolarHBondContact O-CB 3.39Å; K500-S504 PolarHBondContact O-N 3.36Å; A501-S504 WeakPolarHBondContact O-CB 3.38Å; A501-S504 PolarHBondContact O-N 3.13Å; L502-S504 PolarHBondContact O-N 2.79Å; S504-S507 PolarHBondContact O-N 3.13Å; S504-R508 WeakPolarHBondContact O-CB 3.5Å; S504-R508 PolarHBondContact O-N 3.33Å; S504-R508 VanDerWaalsContact O-N 3.14Å
505	F	92.3	Very high	90.5	Very high	24 Å²	24	55.3 Å²	55.3	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-51	175.4	-69.1	-57.1	0	0	0	110.8	L438 V439 L444 A501 L502 S507 R508 D509	L438-F505 WeakPolarHBondContact O-CZ 3.49Å; V439-F505 VanDerWaalsContact O-CE1 3.27Å; V439-F505 WeakPolarHBondContact O-CE1 3.23Å; L444-F505 HydrophobicContact CD2-CE2 4.09Å; A501-F505 HydrophobicContact CB-CE2 4.38Å; A501-F505 WeakPolarHBondContact O-CD2 3.22Å; A501-F505 PolarHBondContact O-N 3.43Å; L502-F505 PolarHBondContact O-N 3.34Å; L502-F505 VanDerWaalsContact O-N 3.15Å; F505-S507 PolarHBondContact O-N 3.41Å; F505-R508 PolarHBondContact O-N 2.79Å; F505-D509 PolarHBondContact O-N 3.01Å
506	H	90.9	Very high	90.5	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.023	30%	0.303	C	S	.	.	H	α-helix	trans	-76.1	-4.9	-177.3	-58.4	-56.9	0	0	0	115.1	S441 L502 D509 S511 T512 Q513 E611	S441-H506 PolarHBondContact OG-CE1 3.22Å; S441-H506 VanDerWaalsContact OG-CE1 3.28Å; L502-H506 PolarHBondContact O-CD2 3.35Å; L502-H506 PolarHBondContact O-N 3.41Å; H506-D509 VanDerWaalsContact C-OD1 3.32Å; H506-D509 VanDerWaalsContact CA-OD1 3.24Å; H506-D509 WeakPolarHBondContact CA-OD1 3.39Å; H506-D509 IonicContact ND1-OD2 3.85Å; H506-D509 PolarHBondContact ND1-OD2 2.87Å; H506-D509 VanDerWaalsContact O-OD1 3.12Å; H506-S511 PolarHBondContact O-OG 3.27Å; H506-T512 VanDerWaalsContact CB-OG1 3.23Å; H506-T512 WeakPolarHBondContact CB-OG1 3.5Å; H506-T512 WeakPolarHBondContact O-CB 3.34Å; H506-T512 PolarHBondContact O-N 3.2Å; H506-T512 PolarHBondContact O-OG1 3.47Å; H506-Q513 PolarHBondContact O-OE1 3.15Å; H506-E611 IonicContact CE1-OE1 3.98Å; H506-E611 IonicContact CE1-OE2 2.68Å; H506-E611 PolarHBondContact CE1-OE2 3.46Å; H506-E611 VanDerWaalsContact CE1-OE2 3.23Å; H506-E611 IonicContact NE2-OE1 2.72Å; H506-E611 IonicContact NE2-OE2 3.89Å
507	S	90.1	Very high	90.6	Very high	52 Å²	52	58.1 Å²	58.1	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-93.5	-23.1	166.1	-57.7	0	0	0	0	112	T503 S504 F505 Q513	T503-S507 VanDerWaalsContact O-CB 3.26Å; T503-S507 WeakPolarHBondContact O-CB 3.44Å; T503-S507 PolarHBondContact O-N 3.48Å; T503-S507 PolarHBondContact O-OG 2.99Å; S504-S507 PolarHBondContact O-N 3.13Å; F505-S507 PolarHBondContact O-N 3.41Å; S507-Q513 PolarHBondContact O-NE2 2.99Å
508	R	89.1	Confident	90.6	Very high	175 Å²	175	53.7 Å²	53.7	66%	0.66	29%	0.286	S	S	*	.	H	α-helix	trans	-87.5	-29.1	179.2	-170.2	-176.3	68.5	-172.1	-0.3	112.4	V439 S504 F505	V439-R508 PolarHBondContact O-NH2 3.37Å; S504-R508 WeakPolarHBondContact O-CB 3.5Å; S504-R508 PolarHBondContact O-N 3.33Å; S504-R508 VanDerWaalsContact O-N 3.14Å; F505-R508 PolarHBondContact O-N 2.79Å
509	D	87.9	Confident	90.7	Very high	93 Å²	93	53.4 Å²	53.4	50%	0.497	29%	0.285	S	S	.	.	S	Bend	trans	-84.2	-7.2	174	67	18.9	0	0	0	113.8	F505 H506 S511	F505-D509 PolarHBondContact O-N 3.01Å; H506-D509 VanDerWaalsContact C-OD1 3.32Å; H506-D509 VanDerWaalsContact CA-OD1 3.24Å; H506-D509 WeakPolarHBondContact CA-OD1 3.39Å; H506-D509 IonicContact ND1-OD2 3.85Å; H506-D509 PolarHBondContact ND1-OD2 2.87Å; H506-D509 VanDerWaalsContact O-OD1 3.12Å; D509-S511 VanDerWaalsContact C-N 3.25Å; D509-S511 VanDerWaalsContact CG-OG 3.31Å; D509-S511 PolarHBondContact O-N 3.04Å; D509-S511 WeakPolarHBondContact OD1-CB 3.11Å; D509-S511 PolarHBondContact OD1-N 3.21Å; D509-S511 PolarHBondContact OD1-OG 3.49Å; D509-S511 PolarHBondContact OD2-OG 3.01Å
510	G	88.2	Confident	90.7	Very high	30 Å²	30	55.8 Å²	55.8	31%	0.309	30%	0.299	S	S	.	.	S	Bend	trans	78.3	-4	-179	0	0	0	0	0	115.4	T512 Q513 C514	G510-T512 PolarHBondContact O-N 2.84Å; G510-Q513 PolarHBondContact O-N 3.41Å; G510-Q513 PolarHBondContact O-OE1 3.15Å; G510-C514 WeakPolarHBondContact O-CB 3.37Å; G510-C514 PolarHBondContact O-N 3.25Å
511	S	89.4	Confident	90.5	Very high	22 Å²	22	52.9 Å²	52.9	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-66	-36.3	-173	64.6	0	0	0	0	113.2	H506 D509 L515	H506-S511 PolarHBondContact O-OG 3.27Å; D509-S511 VanDerWaalsContact C-N 3.25Å; D509-S511 VanDerWaalsContact CG-OG 3.31Å; D509-S511 PolarHBondContact O-N 3.04Å; D509-S511 WeakPolarHBondContact OD1-CB 3.11Å; D509-S511 PolarHBondContact OD1-N 3.21Å; D509-S511 PolarHBondContact OD1-OG 3.49Å; D509-S511 PolarHBondContact OD2-OG 3.01Å; S511-L515 VanDerWaalsContact O-CB 3.26Å; S511-L515 WeakPolarHBondContact O-CB 3.39Å; S511-L515 PolarHBondContact O-N 3.07Å
512	T	90	Very high	90.3	Very high	19 Å²	19	51.7 Å²	51.7	12%	0.117	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-41.6	176.2	-57.8	0	0	0	0	111	H506 G510 T516 P604	H506-T512 VanDerWaalsContact CB-OG1 3.23Å; H506-T512 WeakPolarHBondContact CB-OG1 3.5Å; H506-T512 WeakPolarHBondContact O-CB 3.34Å; H506-T512 PolarHBondContact O-N 3.2Å; H506-T512 PolarHBondContact O-OG1 3.47Å; G510-T512 PolarHBondContact O-N 2.84Å; T512-T516 VanDerWaalsContact O-CB 3.31Å; T512-T516 WeakPolarHBondContact O-CB 3.31Å; T512-T516 PolarHBondContact O-N 3.05Å; T512-T516 PolarHBondContact O-OG1 3.17Å; T512-P604 HydrophobicContact CG2-CB 4.41Å
513	Q	91	Very high	89.9	Confident	94 Å²	94	56.1 Å²	56.1	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-66.2	-47.9	178.5	-64.4	90	-31	0	0	110.8	H506 S507 G510 L515 T516 Q517	H506-Q513 PolarHBondContact O-OE1 3.15Å; S507-Q513 PolarHBondContact O-NE2 2.99Å; G510-Q513 PolarHBondContact O-N 3.41Å; G510-Q513 PolarHBondContact O-OE1 3.15Å; Q513-L515 PolarHBondContact O-N 3.46Å; Q513-T516 PolarHBondContact O-N 3.46Å; Q513-Q517 WeakPolarHBondContact O-CB 3.18Å; Q513-Q517 PolarHBondContact O-N 3.49Å
514	C	90.2	Very high	89.3	Confident	50 Å²	50	55.3 Å²	55.3	34%	0.338	29%	0.293	S	S	.	.	H	α-helix	trans	-56.9	-49.6	175.2	176.1	0	0	0	0	111.7	G510 T516 Q517 N518	G510-C514 WeakPolarHBondContact O-CB 3.37Å; G510-C514 PolarHBondContact O-N 3.25Å; C514-T516 PolarHBondContact O-N 3.06Å; C514-Q517 PolarHBondContact O-N 2.97Å; C514-N518 WeakPolarHBondContact O-CB 3.43Å; C514-N518 PolarHBondContact O-N 2.88Å
515	L	91.6	Very high	88.1	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-43	176.3	177.2	58.9	0	0	0	111.8	S511 Q513 N518 L519 P604 L607 L637 I640 Q641	S511-L515 VanDerWaalsContact O-CB 3.26Å; S511-L515 WeakPolarHBondContact O-CB 3.39Å; S511-L515 PolarHBondContact O-N 3.07Å; Q513-L515 PolarHBondContact O-N 3.46Å; L515-N518 PolarHBondContact O-N 3.2Å; L515-L519 HydrophobicContact CD1-CD1 3.95Å; L515-L519 HydrophobicContact CD1-CD2 4.38Å; L515-L519 HydrophobicContact CD1-CG 3.89Å; L515-L519 HydrophobicContact CG-CD1 3.86Å; L515-L519 HydrophobicContact CG-CG 4.29Å; L515-L519 WeakPolarHBondContact O-CB 3.33Å; L515-L519 WeakPolarHBondContact O-CG 3.43Å; L515-L519 PolarHBondContact O-N 3.35Å; L515-P604 HydrophobicContact CD2-CB 4.25Å; L515-P604 WeakPolarHBondContact CD2-O 3.45Å; L515-P604 HydrophobicContact CG-CB 4.26Å; L515-L607 HydrophobicContact CD2-CB 3.72Å; L515-L607 HydrophobicContact CD2-CD2 4.16Å; L515-L607 HydrophobicContact CD2-CG 4.48Å; L515-L637 HydrophobicContact CD1-CD2 4.32Å; L515-L637 HydrophobicContact CD2-CD2 4.03Å; L515-I640 HydrophobicContact CD1-CB 4.33Å; L515-I640 HydrophobicContact CD1-CG2 3.64Å; L515-Q641 HydrophobicContact CB-CG 4.21Å; L515-Q641 HydrophobicContact CD1-CG 4.2Å
516	T	92.6	Very high	87.1	Confident	43 Å²	43	60 Å²	60	26%	0.264	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-44.5	178.3	-56.5	0	0	0	0	111.6	T512 Q513 C514 L520 P604	T512-T516 VanDerWaalsContact O-CB 3.31Å; T512-T516 WeakPolarHBondContact O-CB 3.31Å; T512-T516 PolarHBondContact O-N 3.05Å; T512-T516 PolarHBondContact O-OG1 3.17Å; Q513-T516 PolarHBondContact O-N 3.46Å; C514-T516 PolarHBondContact O-N 3.06Å; T516-L520 HydrophobicContact CG2-CD1 4.13Å; T516-L520 WeakPolarHBondContact O-CB 3.26Å; T516-L520 WeakPolarHBondContact O-CG 3.33Å; T516-L520 PolarHBondContact O-N 3.45Å; T516-L520 VanDerWaalsContact O-N 3.09Å; T516-P604 VanDerWaalsContact OG1-CB 3.3Å; T516-P604 WeakPolarHBondContact OG1-CB 3.47Å; T516-P604 WeakPolarHBondContact OG1-CG 3.48Å
517	Q	91.5	Very high	86.5	Confident	132 Å²	132	59.8 Å²	59.8	62%	0.617	32%	0.318	S	S	*	.	H	α-helix	trans	-63.2	-44.6	176.9	-174.3	176.4	5.1	0	0	111.5	Q513 C514 L520 R521	Q513-Q517 WeakPolarHBondContact O-CB 3.18Å; Q513-Q517 PolarHBondContact O-N 3.49Å; C514-Q517 PolarHBondContact O-N 2.97Å; Q517-L520 PolarHBondContact O-N 2.97Å; Q517-R521 WeakPolarHBondContact O-CB 3.48Å; Q517-R521 PolarHBondContact O-N 3.15Å
518	N	90.3	Very high	86.1	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.059	32%	0.315	C	S	.	.	H	α-helix	trans	-69.4	-39.5	179.9	-75	-0.9	0	0	0	112.6	C514 L515 R521 L522 I640 Q641	C514-N518 WeakPolarHBondContact O-CB 3.43Å; C514-N518 PolarHBondContact O-N 2.88Å; L515-N518 PolarHBondContact O-N 3.2Å; N518-R521 PolarHBondContact O-N 3.33Å; N518-R521 VanDerWaalsContact OD1-CZ 3.31Å; N518-R521 PolarHBondContact OD1-NH1 3.04Å; N518-R521 PolarHBondContact OD1-NH2 2.78Å; N518-L522 VanDerWaalsContact O-CB 3.27Å; N518-L522 WeakPolarHBondContact O-CB 3.31Å; N518-L522 WeakPolarHBondContact O-CG 3.26Å; N518-L522 PolarHBondContact O-N 2.91Å; N518-I640 HydrophobicContact CB-CG2 4.15Å; N518-I640 WeakPolarHBondContact CB-O 3.02Å; N518-I640 PolarHBondContact ND2-O 3.09Å; N518-Q641 PolarHBondContact ND2-O 3.14Å; N518-Q641 VanDerWaalsContact ND2-O 3.15Å
519	L	91.7	Very high	85.5	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-49.5	172.8	-72	166.9	0	0	0	111	L515 L522 K523 I598 V599 N602 P604 I640	L515-L519 HydrophobicContact CD1-CD1 3.95Å; L515-L519 HydrophobicContact CD1-CD2 4.38Å; L515-L519 HydrophobicContact CD1-CG 3.89Å; L515-L519 HydrophobicContact CG-CD1 3.86Å; L515-L519 HydrophobicContact CG-CG 4.29Å; L515-L519 WeakPolarHBondContact O-CB 3.33Å; L515-L519 WeakPolarHBondContact O-CG 3.43Å; L515-L519 PolarHBondContact O-N 3.35Å; L519-L522 PolarHBondContact O-N 3.4Å; L519-K523 WeakPolarHBondContact O-CB 3.44Å; L519-K523 PolarHBondContact O-N 3.27Å; L519-I598 HydrophobicContact CD2-CG2 4.25Å; L519-V599 HydrophobicContact CD2-CG2 4.14Å; L519-N602 WeakPolarHBondContact CB-OD1 3.36Å; L519-P604 HydrophobicContact CD1-CB 4.09Å; L519-I640 HydrophobicContact CD2-CD1 4.22Å; L519-I640 HydrophobicContact CD2-CG2 4.03Å; L519-I640 HydrophobicContact CG-CG2 4.22Å
520	L	90.6	Very high	85.1	Confident	103 Å²	103	60 Å²	60	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-42.2	178.6	-73	170.3	0	0	0	112.8	T516 Q517 N602	T516-L520 HydrophobicContact CG2-CD1 4.13Å; T516-L520 WeakPolarHBondContact O-CB 3.26Å; T516-L520 WeakPolarHBondContact O-CG 3.33Å; T516-L520 PolarHBondContact O-N 3.45Å; T516-L520 VanDerWaalsContact O-N 3.09Å; Q517-L520 PolarHBondContact O-N 2.97Å; L520-N602 WeakPolarHBondContact CD2-ND2 3.15Å
521	R	86.6	Confident	84.7	Confident	100 Å²	100	59 Å²	59	38%	0.377	30%	0.301	S	S	.	.	H	α-helix	trans	-71.8	-32.2	-179	-175.5	-164.6	64.6	-175.4	-3.4	113.2	Q517 N518 R530 L643	Q517-R521 WeakPolarHBondContact O-CB 3.48Å; Q517-R521 PolarHBondContact O-N 3.15Å; N518-R521 PolarHBondContact O-N 3.33Å; N518-R521 VanDerWaalsContact OD1-CZ 3.31Å; N518-R521 PolarHBondContact OD1-NH1 3.04Å; N518-R521 PolarHBondContact OD1-NH2 2.78Å; R521-R530 PolarHBondContact O-NH1 3.48Å; R521-L643 PolarHBondContact NH2-O 3.34Å
522	L	86.5	Confident	84.1	Confident	6 Å²	6	59 Å²	59	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-79.3	-30.1	179.8	-73.7	171.6	0	0	0	112.8	N518 L519 A527 R530 V599 I640 L643	N518-L522 VanDerWaalsContact O-CB 3.27Å; N518-L522 WeakPolarHBondContact O-CB 3.31Å; N518-L522 WeakPolarHBondContact O-CG 3.26Å; N518-L522 PolarHBondContact O-N 2.91Å; L519-L522 PolarHBondContact O-N 3.4Å; L522-A527 WeakPolarHBondContact O-CA 3.46Å; L522-A527 WeakPolarHBondContact O-CB 3.31Å; L522-R530 HydrophobicContact CD2-CB 4.36Å; L522-V599 HydrophobicContact CB-CG1 3.93Å; L522-V599 HydrophobicContact CB-CG2 4.09Å; L522-V599 HydrophobicContact CD1-CG2 4.17Å; L522-I640 HydrophobicContact CD1-CG1 4.45Å; L522-I640 HydrophobicContact CD1-CG2 4.14Å; L522-L643 HydrophobicContact CD1-CD1 3.83Å; L522-L643 HydrophobicContact CD2-CD1 4.28Å
523	K	85	Confident	83.7	Confident	95 Å²	95	59 Å²	59	41%	0.413	31%	0.305	S	S	.	.			trans	-56.9	148.9	-175	-164.3	-178.6	179.4	-173	0	114	L519 V599 E600	L519-K523 WeakPolarHBondContact O-CB 3.44Å; L519-K523 PolarHBondContact O-N 3.27Å; K523-V599 HydrophobicContact CB-CG1 4.03Å; K523-E600 WeakPolarHBondContact CE-OE2 3.43Å; K523-E600 VanDerWaalsContact CG-OE1 3.28Å; K523-E600 WeakPolarHBondContact CG-OE1 3.44Å; K523-E600 IonicContact NZ-OE2 2.72Å
524	G	78.5	Confident	82.8	Confident	30 Å²	30	63 Å²	63	31%	0.309	32%	0.316	S	S	.	.	S	Bend	trans	94.3	-163.2	174.1	0	0	0	0	0	113.9	G526 A527 E600	G524-G526 PolarHBondContact O-N 2.91Å; G524-A527 WeakPolarHBondContact O-CB 3.15Å; G524-A527 PolarHBondContact O-N 3.09Å; G524-E600 PolarHBondContact N-OE1 3.43Å; G524-E600 VanDerWaalsContact N-OE1 3.09Å
525	N	66.1	Low	82	Confident	175 Å²	175	61 Å²	61	94%	0.936	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.9	-158.7	-58.9	12	0	0	0	115.6
526	G	71.7	Confident	81	Confident	23 Å²	23	62.6 Å²	62.6	24%	0.237	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.1	176.2	0	0	0	0	0	115.5	G524 M528 R530	G524-G526 PolarHBondContact O-N 2.91Å; G526-M528 PolarHBondContact O-N 2.86Å; G526-R530 WeakPolarHBondContact O-CD 3.33Å; G526-R530 VanDerWaalsContact O-CG 3.27Å; G526-R530 WeakPolarHBondContact O-CG 3.38Å; G526-R530 PolarHBondContact O-N 3.43Å
527	A	78.9	Confident	80.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-41.6	-175	0	0	0	0	0	112.8	L522 G524 L531 Y596	L522-A527 WeakPolarHBondContact O-CA 3.46Å; L522-A527 WeakPolarHBondContact O-CB 3.31Å; G524-A527 WeakPolarHBondContact O-CB 3.15Å; G524-A527 PolarHBondContact O-N 3.09Å; A527-L531 WeakPolarHBondContact O-CB 3.44Å; A527-L531 WeakPolarHBondContact O-CG 3.07Å; A527-L531 PolarHBondContact O-N 2.63Å; A527-L531 VanDerWaalsContact O-N 3.09Å; A527-Y596 HydrophobicContact CB-CD2 3.84Å; A527-Y596 HydrophobicContact CB-CE2 3.75Å
528	M	80.1	Confident	79.7	Confident	64 Å²	64	58 Å²	58	32%	0.315	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-48.4	-176.8	-66	173.8	65.1	0	0	112.3	G526 L531 G532 V533 V537 Y596	G526-M528 PolarHBondContact O-N 2.86Å; M528-L531 PolarHBondContact O-N 3.42Å; M528-G532 PolarHBondContact O-N 3Å; M528-V533 HydrophobicContact CB-CB 4.22Å; M528-V533 PolarHBondContact O-N 3.21Å; M528-V537 HydrophobicContact CE-CG2 3.35Å; M528-V537 HydrophobicContact CG-CG2 4.44Å; M528-V537 HydrophobicContact SD-CG2 3.37Å; M528-V537 WeakPolarHBondContact SD-CG2 3.4Å; M528-Y596 HydrophobicContact CG-CD2 4.19Å; M528-Y596 HydrophobicContact CG-CE2 3.92Å
529	E	77.9	Confident	79.4	Confident	158 Å²	158	61.2 Å²	61.2	74%	0.738	32%	0.317	S	S	*	.	H	α-helix	trans	-67	-45	-176.7	-60.3	-177.9	152.5	0	0	111.1	L531 G532	E529-L531 VanDerWaalsContact C-N 3.33Å; E529-L531 PolarHBondContact O-N 3.36Å; E529-G532 PolarHBondContact O-N 3.48Å
530	R	77.9	Confident	79.1	Confident	104 Å²	104	65.1 Å²	65.1	39%	0.392	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-42	177.2	-68.1	168	-179.9	169.1	-7	112.2	R521 L522 G526 F649	R521-R530 PolarHBondContact O-NH1 3.48Å; L522-R530 HydrophobicContact CD2-CB 4.36Å; G526-R530 WeakPolarHBondContact O-CD 3.33Å; G526-R530 VanDerWaalsContact O-CG 3.27Å; G526-R530 WeakPolarHBondContact O-CG 3.38Å; G526-R530 PolarHBondContact O-N 3.43Å; R530-F649 VanDerWaalsContact O-CB 3.28Å; R530-F649 WeakPolarHBondContact O-CB 3.34Å; R530-F649 PolarHBondContact O-N 3.49Å
531	L	80.5	Confident	79.1	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-85.5	-5.9	179.6	-65.5	172.4	0	0	0	113.9	A527 M528 E529 V533 P592 Y596 V599 L643 F649	A527-L531 WeakPolarHBondContact O-CB 3.44Å; A527-L531 WeakPolarHBondContact O-CG 3.07Å; A527-L531 PolarHBondContact O-N 2.63Å; A527-L531 VanDerWaalsContact O-N 3.09Å; M528-L531 PolarHBondContact O-N 3.42Å; E529-L531 VanDerWaalsContact C-N 3.33Å; E529-L531 PolarHBondContact O-N 3.36Å; L531-V533 HydrophobicContact CB-CG2 4.07Å; L531-P592 WeakPolarHBondContact O-CB 3.27Å; L531-Y596 HydrophobicContact CD1-CD2 4.49Å; L531-V599 HydrophobicContact CD1-CG2 4.2Å; L531-L643 HydrophobicContact CD2-CD1 3.77Å; L531-F649 WeakPolarHBondContact O-CD1 3.26Å
532	G	77.4	Confident	79.2	Confident	23 Å²	23	67.6 Å²	67.6	24%	0.237	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	29.4	-179.6	0	0	0	0	0	114.7	M528 E529 R534	M528-G532 PolarHBondContact O-N 3Å; E529-G532 PolarHBondContact O-N 3.48Å; G532-R534 PolarHBondContact O-N 2.92Å
533	V	81.5	Confident	79.4	Confident	19 Å²	19	67.8 Å²	67.8	12%	0.115	36%	0.356	C	S	.	.			trans	-67.9	126.5	-179.4	-175.7	0	0	0	0	110.8	M528 L531 P592 Y596	M528-V533 HydrophobicContact CB-CB 4.22Å; M528-V533 PolarHBondContact O-N 3.21Å; L531-V533 HydrophobicContact CB-CG2 4.07Å; V533-P592 HydrophobicContact CG2-CB 4.16Å; V533-Y596 HydrophobicContact CG2-CD2 4.5Å; V533-Y596 HydrophobicContact CG2-CG 4.29Å
534	R	72.5	Confident	79.8	Confident	177 Å²	177	66.8 Å²	66.8	67%	0.668	35%	0.352	S	S	*	.			trans	-115.4	-4.8	-179.8	-62.4	176.4	-176.4	-170.9	-0.8	113.9	G532 Q580	G532-R534 PolarHBondContact O-N 2.92Å; R534-Q580 PolarHBondContact O-NE2 3Å
535	T	72.9	Confident	80.5	Confident	9 Å²	9	72.3 Å²	72.3	6%	0.055	36%	0.364	C	S	.	.	S	Bend	trans	-98.6	173.8	-175.8	44.8	0	0	0	0	112.1	N579 D589	T535-N579 VanDerWaalsContact CG2-OD1 3.25Å; T535-N579 WeakPolarHBondContact CG2-OD1 3.41Å; T535-D589 HydrophobicContact CG2-CB 3.97Å
536	G	70.3	Confident	81.8	Confident	33 Å²	33	64.1 Å²	64.1	34%	0.34	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-59.6	142.7	174.5	0	0	0	0	0	112.9	C577	G536-C577 PolarHBondContact O-SG 3.49Å
537	V	74.3	Confident	82.9	Confident	71 Å²	71	64.8 Å²	64.8	43%	0.43	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-84.6	128.7	178.9	-172.4	0	0	0	0	109.7	M528 Y596	M528-V537 HydrophobicContact CE-CG2 3.35Å; M528-V537 HydrophobicContact CG-CG2 4.44Å; M528-V537 HydrophobicContact SD-CG2 3.37Å; M528-V537 WeakPolarHBondContact SD-CG2 3.4Å; V537-Y596 HydrophobicContact CG1-CE1 3.89Å; V537-Y596 WeakPolarHBondContact CG1-OH 3.15Å
538	P	82.4	Confident	83.7	Confident	8 Å²	8	70.2 Å²	70.2	5%	0.052	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-69.7	145.2	175.1	29.2	-35.3	0	0	0	112	E542 V543 I576 Y596 V597	P538-E542 WeakPolarHBondContact CA-OE2 3.39Å; P538-E542 HydrophobicContact CB-CB 4.12Å; P538-V543 HydrophobicContact CB-CG2 4.22Å; P538-V543 HydrophobicContact CG-CG2 3.95Å; P538-I576 HydrophobicContact CB-CB 4.35Å; P538-I576 HydrophobicContact CB-CD1 3.66Å; P538-I576 HydrophobicContact CB-CG1 3.91Å; P538-I576 HydrophobicContact CG-CD1 4.39Å; P538-Y596 HydrophobicContact CG-CD1 4.38Å; P538-Y596 HydrophobicContact CG-CE1 4Å; P538-V597 HydrophobicContact CG-CG2 3.97Å
539	D	84.1	Confident	84.4	Confident	78 Å²	78	69.6 Å²	69.6	42%	0.417	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-74.9	168.7	179.2	95.7	0.9	0	0	0	112.8	R541 E542 V543	D539-R541 PolarHBondContact O-N 3.45Å; D539-R541 VanDerWaalsContact OD1-CA 3.24Å; D539-R541 WeakPolarHBondContact OD1-CA 3.31Å; D539-R541 WeakPolarHBondContact OD1-CB 3.47Å; D539-R541 PolarHBondContact OD1-N 2.94Å; D539-E542 PolarHBondContact N-OE2 2.91Å; D539-E542 PolarHBondContact O-N 2.94Å; D539-E542 WeakPolarHBondContact OD1-CG 3.37Å; D539-E542 PolarHBondContact OD1-N 3.33Å; D539-V543 WeakPolarHBondContact O-CG2 3.39Å; D539-V543 PolarHBondContact O-N 2.99Å
540	A	86.2	Confident	85.2	Confident	85 Å²	85	62.7 Å²	62.7	70%	0.702	31%	0.306	S	S	*	.	H	α-helix	trans	-61.1	-28.3	-179.2	0	0	0	0	0	113.8	E544	A540-E544 WeakPolarHBondContact O-CB 3.31Å; A540-E544 PolarHBondContact O-N 3.39Å; A540-E544 VanDerWaalsContact O-N 3.12Å
541	R	89	Confident	86.1	Confident	199 Å²	199	59.7 Å²	59.7	75%	0.751	30%	0.297	S	S	*	.	H	α-helix	trans	-77.2	-39.1	176.7	-55.5	172.4	166.3	-173.3	-4.6	110.6	D539 E544 R545	D539-R541 PolarHBondContact O-N 3.45Å; D539-R541 VanDerWaalsContact OD1-CA 3.24Å; D539-R541 WeakPolarHBondContact OD1-CA 3.31Å; D539-R541 WeakPolarHBondContact OD1-CB 3.47Å; D539-R541 PolarHBondContact OD1-N 2.94Å; R541-E544 PolarHBondContact O-N 3.45Å; R541-R545 VanDerWaalsContact O-CG 3.29Å; R541-R545 WeakPolarHBondContact O-CG 3.5Å; R541-R545 PolarHBondContact O-N 3.19Å
542	E	89.3	Confident	86.8	Confident	55 Å²	55	63.6 Å²	63.6	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-46.3	175.3	-65.5	-176.7	134.2	0	0	111.3	P538 D539 E544 R545 V546 F572 I576	P538-E542 WeakPolarHBondContact CA-OE2 3.39Å; P538-E542 HydrophobicContact CB-CB 4.12Å; D539-E542 PolarHBondContact N-OE2 2.91Å; D539-E542 PolarHBondContact O-N 2.94Å; D539-E542 WeakPolarHBondContact OD1-CG 3.37Å; D539-E542 PolarHBondContact OD1-N 3.33Å; E542-E544 VanDerWaalsContact C-N 3.3Å; E542-E544 PolarHBondContact O-N 2.96Å; E542-R545 WeakPolarHBondContact O-CB 3.49Å; E542-R545 PolarHBondContact O-N 3.02Å; E542-V546 PolarHBondContact O-N 3.23Å; E542-F572 HydrophobicContact CB-CE1 3.92Å; E542-F572 HydrophobicContact CB-CZ 3.94Å; E542-F572 HydrophobicContact CG-CE1 4.48Å; E542-F572 HydrophobicContact CG-CZ 4.01Å; E542-F572 WeakPolarHBondContact O-CE1 3.2Å; E542-I576 HydrophobicContact CB-CD1 4.49Å; E542-I576 HydrophobicContact CB-CG2 4.43Å; E542-I576 HydrophobicContact CG-CG2 4.26Å; E542-I576 WeakPolarHBondContact OE1-CG2 3.41Å
543	V	91	Very high	87.7	Confident	11 Å²	11	62.6 Å²	62.6	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-57.4	-42.5	171.4	169.7	0	0	0	0	111	P538 D539 R545 V546 K547 E600	P538-V543 HydrophobicContact CB-CG2 4.22Å; P538-V543 HydrophobicContact CG-CG2 3.95Å; D539-V543 WeakPolarHBondContact O-CG2 3.39Å; D539-V543 PolarHBondContact O-N 2.99Å; V543-R545 PolarHBondContact O-N 3.15Å; V543-V546 WeakPolarHBondContact O-CB 3.4Å; V543-V546 PolarHBondContact O-N 3.08Å; V543-V546 VanDerWaalsContact O-N 3.15Å; V543-K547 PolarHBondContact O-N 3.42Å; V543-E600 HydrophobicContact CG1-CB 3.99Å; V543-E600 HydrophobicContact CG2-CB 4.26Å
544	E	92.8	Very high	88.3	Confident	73 Å²	73	64 Å²	64	34%	0.341	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-36.8	177.2	-160.7	56.5	-129.9	0	0	112.8	A540 R541 E542 V546 K547 Q548	A540-E544 WeakPolarHBondContact O-CB 3.31Å; A540-E544 PolarHBondContact O-N 3.39Å; A540-E544 VanDerWaalsContact O-N 3.12Å; R541-E544 PolarHBondContact O-N 3.45Å; E542-E544 VanDerWaalsContact C-N 3.3Å; E542-E544 PolarHBondContact O-N 2.96Å; E544-V546 PolarHBondContact O-N 3.24Å; E544-K547 PolarHBondContact O-N 3.19Å; E544-K547 WeakPolarHBondContact OE2-CD 3.44Å; E544-K547 IonicContact OE2-NZ 3.86Å; E544-K547 PolarHBondContact OE2-NZ 3.35Å; E544-Q548 VanDerWaalsContact O-CG 3.32Å; E544-Q548 WeakPolarHBondContact O-CG 3.49Å; E544-Q548 PolarHBondContact O-N 3.22Å
545	R	93.1	Very high	89.3	Confident	147 Å²	147	64.5 Å²	64.5	56%	0.555	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-29.8	172.1	-69.6	171.8	88	177.3	8.7	112.3	R541 E542 V543 F572	R541-R545 VanDerWaalsContact O-CG 3.29Å; R541-R545 WeakPolarHBondContact O-CG 3.5Å; R541-R545 PolarHBondContact O-N 3.19Å; E542-R545 WeakPolarHBondContact O-CB 3.49Å; E542-R545 PolarHBondContact O-N 3.02Å; V543-R545 PolarHBondContact O-N 3.15Å; R545-F572 HydrophobicContact CB-CE1 4.39Å; R545-F572 HydrophobicContact CB-CZ 4.38Å
546	V	94.2	Very high	90.4	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-70.9	-51.3	169.2	178.8	0	0	0	0	110.6	E542 V543 E544 Q548 K549 L550 V569 F572 V597 C601	E542-V546 PolarHBondContact O-N 3.23Å; V543-V546 WeakPolarHBondContact O-CB 3.4Å; V543-V546 PolarHBondContact O-N 3.08Å; V543-V546 VanDerWaalsContact O-N 3.15Å; E544-V546 PolarHBondContact O-N 3.24Å; V546-Q548 VanDerWaalsContact C-N 3.26Å; V546-Q548 PolarHBondContact O-N 3.47Å; V546-K549 WeakPolarHBondContact O-CA 3.48Å; V546-K549 WeakPolarHBondContact O-CB 3.33Å; V546-K549 PolarHBondContact O-N 3.15Å; V546-L550 HydrophobicContact CG1-CD1 4.23Å; V546-L550 HydrophobicContact CG1-CG 4.21Å; V546-L550 WeakPolarHBondContact O-CG 3.15Å; V546-L550 PolarHBondContact O-N 2.72Å; V546-V569 HydrophobicContact CG1-CG1 3.66Å; V546-V569 HydrophobicContact CG1-CG2 4.15Å; V546-F572 HydrophobicContact CG2-CD1 3.63Å; V546-F572 HydrophobicContact CG2-CE1 3.98Å; V546-V597 HydrophobicContact CB-CG1 4.26Å; V546-V597 HydrophobicContact CG1-CG1 3.85Å; V546-V597 HydrophobicContact CG2-CG1 4.06Å; V546-C601 VanDerWaalsContact CG1-SG 3.52Å
547	K	94.7	Very high	91.5	Very high	38 Å²	38	65.8 Å²	65.8	17%	0.165	31%	0.312	C	S	.	.	H	α-helix	trans	-52.4	-43.3	178	-67.7	-175.8	-151.3	136.3	0	112.2	V543 E544 K549 L550 I551 E600 C601	V543-K547 PolarHBondContact O-N 3.42Å; E544-K547 PolarHBondContact O-N 3.19Å; E544-K547 WeakPolarHBondContact OE2-CD 3.44Å; E544-K547 IonicContact OE2-NZ 3.86Å; E544-K547 PolarHBondContact OE2-NZ 3.35Å; K547-K549 VanDerWaalsContact C-N 3.33Å; K547-K549 PolarHBondContact O-N 2.86Å; K547-L550 PolarHBondContact O-N 3.04Å; K547-L550 VanDerWaalsContact O-N 3.12Å; K547-I551 VanDerWaalsContact O-CG1 3.27Å; K547-I551 WeakPolarHBondContact O-CG1 3.28Å; K547-I551 PolarHBondContact O-N 2.93Å; K547-E600 WeakPolarHBondContact CE-O 3.19Å; K547-C601 HydrophobicContact CG-CB 3.92Å
548	Q	95.4	Very high	92.5	Very high	114 Å²	114	62.7 Å²	62.7	53%	0.533	29%	0.293	S	S	.	.	H	α-helix	trans	-57.3	-42.1	176.1	-73.3	173.3	2.9	0	0	112.7	E544 V546 I551 L552	E544-Q548 VanDerWaalsContact O-CG 3.32Å; E544-Q548 WeakPolarHBondContact O-CG 3.49Å; E544-Q548 PolarHBondContact O-N 3.22Å; V546-Q548 VanDerWaalsContact C-N 3.26Å; V546-Q548 PolarHBondContact O-N 3.47Å; Q548-I551 PolarHBondContact O-N 2.93Å; Q548-L552 WeakPolarHBondContact O-CB 3.38Å; Q548-L552 PolarHBondContact O-N 2.71Å
549	K	94.6	Very high	93.1	Very high	51 Å²	51	62.3 Å²	62.3	22%	0.222	29%	0.291	C	S	.	.	H	α-helix	trans	-68.5	-37.1	174.6	-65.7	-176.4	-166	-171.7	0	112.4	V546 K547 L552 M553 Q568 V569	V546-K549 WeakPolarHBondContact O-CA 3.48Å; V546-K549 WeakPolarHBondContact O-CB 3.33Å; V546-K549 PolarHBondContact O-N 3.15Å; K547-K549 VanDerWaalsContact C-N 3.33Å; K547-K549 PolarHBondContact O-N 2.86Å; K549-L552 PolarHBondContact O-N 2.79Å; K549-M553 WeakPolarHBondContact O-CB 3.36Å; K549-M553 PolarHBondContact O-N 3.35Å; K549-Q568 HydrophobicContact CD-CB 4.12Å; K549-Q568 PolarHBondContact NZ-O 3.06Å; K549-V569 HydrophobicContact CB-CG2 3.64Å; K549-V569 HydrophobicContact CD-CG2 3.91Å; K549-V569 HydrophobicContact CG-CG2 4.41Å
550	L	95.6	Very high	93.6	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-40.7	175.3	-58.3	-177.7	0	0	0	111.8	V546 K547 M553 Q554 V569 C601 R603 L606	V546-L550 HydrophobicContact CG1-CD1 4.23Å; V546-L550 HydrophobicContact CG1-CG 4.21Å; V546-L550 WeakPolarHBondContact O-CG 3.15Å; V546-L550 PolarHBondContact O-N 2.72Å; K547-L550 PolarHBondContact O-N 3.04Å; K547-L550 VanDerWaalsContact O-N 3.12Å; L550-M553 HydrophobicContact CD2-CE 3.71Å; L550-M553 WeakPolarHBondContact O-CB 3.27Å; L550-M553 PolarHBondContact O-N 3.17Å; L550-Q554 PolarHBondContact O-N 3.4Å; L550-V569 HydrophobicContact CD2-CG2 4.2Å; L550-C601 HydrophobicContact CD1-CB 3.85Å; L550-R603 HydrophobicContact CD1-CB 4.41Å; L550-R603 HydrophobicContact CD1-CG 4.4Å; L550-L606 HydrophobicContact CD1-CD2 4.37Å; L550-L606 HydrophobicContact CD2-CD1 4.06Å; L550-L606 HydrophobicContact CD2-CD2 4.42Å
551	I	95.4	Very high	93.9	Very high	40 Å²	40	56.8 Å²	56.8	21%	0.205	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-42.2	174.1	-63.4	159.6	0	0	0	110.8	K547 Q548 M553 Q554 R555	K547-I551 VanDerWaalsContact O-CG1 3.27Å; K547-I551 WeakPolarHBondContact O-CG1 3.28Å; K547-I551 PolarHBondContact O-N 2.93Å; Q548-I551 PolarHBondContact O-N 2.93Å; I551-M553 VanDerWaalsContact C-N 3.33Å; I551-Q554 PolarHBondContact O-N 2.89Å; I551-R555 WeakPolarHBondContact O-CG 3.49Å; I551-R555 PolarHBondContact O-N 2.78Å
552	L	96.2	Very high	94.2	Very high	90 Å²	90	47.5 Å²	47.5	47%	0.471	22%	0.215	S	C	.	.	H	α-helix	trans	-65.4	-37.4	176.3	-177.2	58.1	0	0	0	111.9	Q548 K549 R555 T556 L565	Q548-L552 WeakPolarHBondContact O-CB 3.38Å; Q548-L552 PolarHBondContact O-N 2.71Å; K549-L552 PolarHBondContact O-N 2.79Å; L552-R555 PolarHBondContact O-N 3.06Å; L552-T556 PolarHBondContact O-N 3.4Å; L552-T556 PolarHBondContact O-OG1 3.41Å; L552-L565 HydrophobicContact CB-CD1 4.39Å; L552-L565 HydrophobicContact CD2-CD1 4.36Å; L552-L565 HydrophobicContact CD2-CD2 3.78Å; L552-L565 HydrophobicContact CG-CD1 3.91Å; L552-L565 HydrophobicContact CG-CD2 4.23Å
553	M	96.1	Very high	94.5	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-46.5	175	-175	167.3	63.7	0	0	111.4	K549 L550 I551 R555 T556 K562 L565 L566 L606 E609 M613	K549-M553 WeakPolarHBondContact O-CB 3.36Å; K549-M553 PolarHBondContact O-N 3.35Å; L550-M553 HydrophobicContact CD2-CE 3.71Å; L550-M553 WeakPolarHBondContact O-CB 3.27Å; L550-M553 PolarHBondContact O-N 3.17Å; I551-M553 VanDerWaalsContact C-N 3.33Å; M553-R555 VanDerWaalsContact C-N 3.31Å; M553-R555 PolarHBondContact O-N 2.81Å; M553-T556 WeakPolarHBondContact O-CB 3.27Å; M553-T556 PolarHBondContact O-N 3.09Å; M553-K562 HydrophobicContact CG-CB 3.77Å; M553-K562 HydrophobicContact CG-CG 3.86Å; M553-K562 PolarHBondContact O-NZ 3.33Å; M553-K562 HydrophobicContact SD-CB 4.34Å; M553-L565 HydrophobicContact CB-CB 4.24Å; M553-L565 HydrophobicContact CB-CD1 4.05Å; M553-L566 HydrophobicContact CE-CD1 3.83Å; M553-L566 HydrophobicContact SD-CB 4.16Å; M553-L566 HydrophobicContact SD-CD1 3.86Å; M553-L606 HydrophobicContact CE-CD1 3.35Å; M553-E609 HydrophobicContact CE-CB 4.41Å; M553-M613 HydrophobicContact CE-CE 4.45Å; M553-M613 HydrophobicContact SD-CE 3.75Å; M553-M613 HydrophobicContact SD-SD 4.39Å
554	Q	94.4	Very high	94.5	Very high	47 Å²	47	46.6 Å²	46.6	22%	0.22	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-41.7	172.8	-172.6	178.8	12.5	0	0	112.3	K495 L550 I551 T556 E609	K495-Q554 WeakPolarHBondContact CE-O 3.43Å; K495-Q554 PolarHBondContact NZ-O 2.82Å; L550-Q554 PolarHBondContact O-N 3.4Å; I551-Q554 PolarHBondContact O-N 2.89Å; Q554-T556 VanDerWaalsContact C-N 3.26Å; Q554-T556 PolarHBondContact O-N 2.94Å; Q554-E609 WeakPolarHBondContact CA-OE1 3.26Å
555	R	93.6	Very high	94.6	Very high	188 Å²	188	44.1 Å²	44.1	71%	0.709	20%	0.2	S	C	*	.	H	α-helix	trans	-69.8	-16.9	176.6	-71.6	176.2	175.7	-171.6	-2.2	114.4	K495 I551 L552 M553	K495-R555 WeakPolarHBondContact CE-O 3.38Å; I551-R555 WeakPolarHBondContact O-CG 3.49Å; I551-R555 PolarHBondContact O-N 2.78Å; L552-R555 PolarHBondContact O-N 3.06Å; M553-R555 VanDerWaalsContact C-N 3.31Å; M553-R555 PolarHBondContact O-N 2.81Å
556	T	95.3	Very high	94.7	Very high	26 Å²	26	37.2 Å²	37.2	16%	0.16	17%	0.174	C	C	.	.			trans	-77.6	153	178.3	-59.3	0	0	0	0	111.3	K495 L552 M553 Q554 D561 K562	K495-T556 WeakPolarHBondContact CE-O 3.41Å; L552-T556 PolarHBondContact O-N 3.4Å; L552-T556 PolarHBondContact O-OG1 3.41Å; M553-T556 WeakPolarHBondContact O-CB 3.27Å; M553-T556 PolarHBondContact O-N 3.09Å; Q554-T556 VanDerWaalsContact C-N 3.26Å; Q554-T556 PolarHBondContact O-N 2.94Å; T556-D561 HydrophobicContact CG2-CB 4.06Å; T556-K562 HydrophobicContact CG2-CG 3.99Å; T556-K562 WeakPolarHBondContact O-CE 3.24Å; T556-K562 PolarHBondContact O-NZ 3.36Å
557	H	94.7	Very high	94.6	Very high	44 Å²	44	37.5 Å²	37.5	20%	0.204	18%	0.176	C	C	.	.			trans	-108.9	-29.8	174.1	56.2	-78	0	0	0	113.4	R492 K495 P559 Y612	R492-H557 PolarHBondContact NE-CE1 3.23Å; R492-H557 VanDerWaalsContact NE-CE1 3.26Å; R492-H557 PolarHBondContact NE-NE2 3.46Å; R492-H557 VanDerWaalsContact NE-NE2 3.13Å; R492-H557 PolarHBondContact NH2-NE2 2.66Å; K495-H557 HydrophobicContact CD-CB 4.24Å; H557-P559 WeakPolarHBondContact O-CD 3.43Å; H557-Y612 PolarHBondContact O-OH 3.47Å; H557-Y612 VanDerWaalsContact O-OH 3.07Å
558	S	95.2	Very high	94.5	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	18%	0.184	C	C	.	.			trans	-75	120.3	179.3	167.6	0	0	0	0	111.7	I560 D561 K562	S558-I560 VanDerWaalsContact C-N 3.26Å; S558-I560 PolarHBondContact O-N 2.97Å; S558-D561 WeakPolarHBondContact CB-OD2 3.21Å; S558-D561 PolarHBondContact O-N 2.66Å; S558-D561 PolarHBondContact OG-N 2.97Å; S558-D561 PolarHBondContact OG-OD2 3.22Å; S558-K562 WeakPolarHBondContact O-CG 3.46Å; S558-K562 PolarHBondContact O-N 2.9Å
559	P	95.2	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-35.4	175.7	-24.4	33.5	0	0	0	113.2	F487 L491 H557 K562 V563 Y612 L616 L617	F487-P559 HydrophobicContact CE1-CG 4.4Å; F487-P559 HydrophobicContact CZ-CG 4.33Å; L491-P559 HydrophobicContact CD1-CG 3.85Å; H557-P559 WeakPolarHBondContact O-CD 3.43Å; P559-K562 PolarHBondContact O-N 3.03Å; P559-V563 PolarHBondContact O-N 3.42Å; P559-V563 VanDerWaalsContact O-N 3.07Å; P559-Y612 HydrophobicContact CG-CD1 4.39Å; P559-Y612 HydrophobicContact CG-CE1 3.86Å; P559-L616 HydrophobicContact CB-CB 4.44Å; P559-L616 HydrophobicContact CG-CB 3.82Å; P559-L616 HydrophobicContact CG-CD1 4.32Å; P559-L617 HydrophobicContact CB-CD2 3.8Å; P559-L617 HydrophobicContact CB-CG 3.97Å
560	I	92.8	Very high	94.2	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-47.9	177	-68.8	173.8	0	0	0	110.1	L480 E483 F487 S558 K562 V563 L564 L617 W621	L480-I560 HydrophobicContact CD1-CD1 3.73Å; L480-I560 HydrophobicContact CD1-CG2 4.49Å; E483-I560 HydrophobicContact CB-CD1 4.43Å; F487-I560 HydrophobicContact CE2-CB 4.48Å; F487-I560 HydrophobicContact CE2-CD1 3.77Å; F487-I560 HydrophobicContact CE2-CG1 3.88Å; F487-I560 HydrophobicContact CZ-CD1 4.46Å; S558-I560 VanDerWaalsContact C-N 3.26Å; S558-I560 PolarHBondContact O-N 2.97Å; I560-K562 VanDerWaalsContact C-N 3.33Å; I560-K562 PolarHBondContact O-N 3.41Å; I560-V563 WeakPolarHBondContact O-CB 3.46Å; I560-V563 PolarHBondContact O-N 3.14Å; I560-V563 VanDerWaalsContact O-N 3.1Å; I560-L564 WeakPolarHBondContact O-CG 3.44Å; I560-L564 PolarHBondContact O-N 2.93Å; I560-L617 HydrophobicContact CG1-CD2 3.71Å; I560-W621 HydrophobicContact CD1-CD2 4.15Å; I560-W621 HydrophobicContact CD1-CH2 4.48Å; I560-W621 HydrophobicContact CD1-CZ2 3.8Å; I560-W621 HydrophobicContact CG1-CD2 4.26Å; I560-W621 HydrophobicContact CG1-CG 4.47Å
561	D	93.7	Very high	93.8	Very high	42 Å²	42	34.2 Å²	34.2	23%	0.225	16%	0.161	C	C	.	.	H	α-helix	trans	-74.4	-25.6	-176.2	-55.3	-60.9	0	0	0	111.8	R484 T556 S558 L564 L565	R484-D561 IonicContact CZ-OD1 3.95Å; R484-D561 IonicContact NE-OD1 2.71Å; R484-D561 IonicContact NE-OD2 2.74Å; R484-D561 IonicContact NH2-OD1 3.67Å; R484-D561 PolarHBondContact NH2-OD1 3.16Å; R484-D561 IonicContact NH2-OD2 3.68Å; T556-D561 HydrophobicContact CG2-CB 4.06Å; S558-D561 WeakPolarHBondContact CB-OD2 3.21Å; S558-D561 PolarHBondContact O-N 2.66Å; S558-D561 PolarHBondContact OG-N 2.97Å; S558-D561 PolarHBondContact OG-OD2 3.22Å; D561-L564 PolarHBondContact O-N 3.33Å; D561-L565 WeakPolarHBondContact O-CG 3.26Å; D561-L565 PolarHBondContact O-N 3.48Å; D561-L565 VanDerWaalsContact O-N 3.13Å
562	K	95.8	Very high	93.4	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.022	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-46.3	163.7	-68.7	177.8	-172.1	-78.4	0	111.4	M553 T556 S558 P559 I560 L564 L565 L566 E609 Y612 M613	M553-K562 HydrophobicContact CG-CB 3.77Å; M553-K562 HydrophobicContact CG-CG 3.86Å; M553-K562 PolarHBondContact O-NZ 3.33Å; M553-K562 HydrophobicContact SD-CB 4.34Å; T556-K562 HydrophobicContact CG2-CG 3.99Å; T556-K562 WeakPolarHBondContact O-CE 3.24Å; T556-K562 PolarHBondContact O-NZ 3.36Å; S558-K562 WeakPolarHBondContact O-CG 3.46Å; S558-K562 PolarHBondContact O-N 2.9Å; P559-K562 PolarHBondContact O-N 3.03Å; I560-K562 VanDerWaalsContact C-N 3.33Å; I560-K562 PolarHBondContact O-N 3.41Å; K562-L564 VanDerWaalsContact C-N 3.3Å; K562-L564 PolarHBondContact O-N 2.87Å; K562-L565 WeakPolarHBondContact O-CB 3.44Å; K562-L565 PolarHBondContact O-N 3.38Å; K562-L565 VanDerWaalsContact O-N 3.12Å; K562-L566 PolarHBondContact O-N 3.04Å; K562-E609 WeakPolarHBondContact CE-OE2 3.44Å; K562-E609 IonicContact NZ-OE1 2.73Å; K562-E609 IonicContact NZ-OE2 2.82Å; K562-E609 PolarHBondContact NZ-OE2 3.49Å; K562-Y612 HydrophobicContact CD-CD1 3.81Å; K562-Y612 HydrophobicContact CD-CE1 4.04Å; K562-Y612 VanDerWaalsContact CE-CE1 3.47Å; K562-M613 VanDerWaalsContact C-SD 3.56Å; K562-M613 HydrophobicContact CB-CE 4.4Å; K562-M613 HydrophobicContact CB-CG 3.76Å; K562-M613 HydrophobicContact CB-SD 3.46Å; K562-M613 WeakPolarHBondContact CB-SD 3.32Å; K562-M613 HydrophobicContact CD-CG 4.15Å
563	V	94.1	Very high	93	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.079	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-35.1	174.4	170	0	0	0	0	112.1	P559 I560 L565 L566 L567 M613 L617 L630	P559-V563 PolarHBondContact O-N 3.42Å; P559-V563 VanDerWaalsContact O-N 3.07Å; I560-V563 WeakPolarHBondContact O-CB 3.46Å; I560-V563 PolarHBondContact O-N 3.14Å; I560-V563 VanDerWaalsContact O-N 3.1Å; V563-L565 VanDerWaalsContact C-N 3.32Å; V563-L565 PolarHBondContact O-N 2.79Å; V563-L566 PolarHBondContact O-N 3.09Å; V563-L567 HydrophobicContact CG1-CD1 4.15Å; V563-L567 HydrophobicContact CG1-CG 4.31Å; V563-L567 WeakPolarHBondContact O-CB 3.46Å; V563-L567 WeakPolarHBondContact O-CG 3.47Å; V563-L567 PolarHBondContact O-N 3.12Å; V563-M613 HydrophobicContact CB-SD 4.33Å; V563-M613 HydrophobicContact CG2-CB 4.37Å; V563-M613 HydrophobicContact CG2-CG 4.15Å; V563-M613 HydrophobicContact CG2-SD 3.5Å; V563-M613 VanDerWaalsContact CG2-SD 3.5Å; V563-M613 PolarHBondContact N-SD 3.19Å; V563-M613 VanDerWaalsContact N-SD 3.45Å; V563-L617 HydrophobicContact CG2-CD1 3.65Å; V563-L630 HydrophobicContact CG2-CD2 4.3Å
564	L	91.7	Very high	92.4	Very high	34 Å²	34	31.5 Å²	31.5	18%	0.178	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-39.1	173.9	-60.5	-174	0	0	0	112.2	M245 I560 D561 K562 L567 Q568	M245-L564 HydrophobicContact CE-CD2 3.83Å; M245-L564 HydrophobicContact SD-CD2 3.41Å; M245-L564 WeakPolarHBondContact SD-CD2 3.39Å; I560-L564 WeakPolarHBondContact O-CG 3.44Å; I560-L564 PolarHBondContact O-N 2.93Å; D561-L564 PolarHBondContact O-N 3.33Å; K562-L564 VanDerWaalsContact C-N 3.3Å; K562-L564 PolarHBondContact O-N 2.87Å; L564-L567 HydrophobicContact CD2-CD1 4.33Å; L564-Q568 WeakPolarHBondContact O-CG 3.3Å; L564-Q568 PolarHBondContact O-N 3.13Å; L564-Q568 VanDerWaalsContact O-N 3.11Å
565	L	95.8	Very high	91.8	Very high	20 Å²	20	35.4 Å²	35.4	11%	0.105	16%	0.161	C	C	.	.	H	α-helix	trans	-69	-38.9	174.4	-67.6	166.8	0	0	0	111.5	L552 M553 D561 K562 V563 Q568 V569	L552-L565 HydrophobicContact CB-CD1 4.39Å; L552-L565 HydrophobicContact CD2-CD1 4.36Å; L552-L565 HydrophobicContact CD2-CD2 3.78Å; L552-L565 HydrophobicContact CG-CD1 3.91Å; L552-L565 HydrophobicContact CG-CD2 4.23Å; M553-L565 HydrophobicContact CB-CB 4.24Å; M553-L565 HydrophobicContact CB-CD1 4.05Å; D561-L565 WeakPolarHBondContact O-CG 3.26Å; D561-L565 PolarHBondContact O-N 3.48Å; D561-L565 VanDerWaalsContact O-N 3.13Å; K562-L565 WeakPolarHBondContact O-CB 3.44Å; K562-L565 PolarHBondContact O-N 3.38Å; K562-L565 VanDerWaalsContact O-N 3.12Å; V563-L565 VanDerWaalsContact C-N 3.32Å; V563-L565 PolarHBondContact O-N 2.79Å; L565-Q568 CarbonylContact O-C 3.53Å; L565-Q568 WeakPolarHBondContact O-CB 3.31Å; L565-Q568 PolarHBondContact O-N 3.3Å; L565-V569 PolarHBondContact O-N 3.23Å
566	L	95	Very high	91.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-43.4	175	-157.8	74.1	0	0	0	112.1	M553 K562 V563 Q568 V569 C570 M613 L630 V633	M553-L566 HydrophobicContact CE-CD1 3.83Å; M553-L566 HydrophobicContact SD-CB 4.16Å; M553-L566 HydrophobicContact SD-CD1 3.86Å; K562-L566 PolarHBondContact O-N 3.04Å; V563-L566 PolarHBondContact O-N 3.09Å; L566-Q568 VanDerWaalsContact C-N 3.28Å; L566-Q568 PolarHBondContact O-N 3.24Å; L566-V569 WeakPolarHBondContact O-CA 3.36Å; L566-V569 WeakPolarHBondContact O-CB 3.38Å; L566-V569 PolarHBondContact O-N 2.87Å; L566-C570 PolarHBondContact O-N 3.11Å; L566-M613 HydrophobicContact CD1-CE 4.43Å; L566-M613 HydrophobicContact CD2-CE 4.1Å; L566-L630 HydrophobicContact CD2-CB 4.13Å; L566-L630 HydrophobicContact CD2-CD1 3.74Å; L566-V633 HydrophobicContact CD1-CG1 4.34Å; L566-V633 HydrophobicContact CD1-CG2 4.02Å; L566-V633 HydrophobicContact CD2-CB 4.43Å; L566-V633 HydrophobicContact CD2-CG2 4.14Å; L566-V633 HydrophobicContact CG-CG2 4.16Å
567	L	91.7	Very high	89.9	Confident	8 Å²	8	26 Å²	26	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-57.7	-40.7	171.6	-77.1	170.1	0	0	0	111.9	L247 V563 L564 V569 K571 E625 Y629	L247-L567 HydrophobicContact CD1-CB 4.44Å; L247-L567 HydrophobicContact CD1-CD1 4.44Å; V563-L567 HydrophobicContact CG1-CD1 4.15Å; V563-L567 HydrophobicContact CG1-CG 4.31Å; V563-L567 WeakPolarHBondContact O-CB 3.46Å; V563-L567 WeakPolarHBondContact O-CG 3.47Å; V563-L567 PolarHBondContact O-N 3.12Å; L564-L567 HydrophobicContact CD2-CD1 4.33Å; L567-V569 VanDerWaalsContact C-N 3.28Å; L567-V569 PolarHBondContact O-N 3.38Å; L567-K571 WeakPolarHBondContact O-CB 3.34Å; L567-K571 VanDerWaalsContact O-CG 3.23Å; L567-K571 WeakPolarHBondContact O-CG 3.23Å; L567-K571 PolarHBondContact O-N 3.44Å; L567-E625 HydrophobicContact CD2-CB 4.4Å; L567-E625 HydrophobicContact CD2-CG 3.77Å; L567-Y629 HydrophobicContact CD2-CD2 3.53Å; L567-Y629 HydrophobicContact CD2-CE2 4.12Å; L567-Y629 HydrophobicContact CD2-CG 4.47Å
568	Q	92.1	Very high	88.4	Confident	74 Å²	74	27.4 Å²	27.4	35%	0.346	14%	0.136	S	C	.	.	H	α-helix	trans	-71.9	-17.2	175	-72.6	-178	33.5	0	0	114.2	K549 L564 L565 L566 F572	K549-Q568 HydrophobicContact CD-CB 4.12Å; K549-Q568 PolarHBondContact NZ-O 3.06Å; L564-Q568 WeakPolarHBondContact O-CG 3.3Å; L564-Q568 PolarHBondContact O-N 3.13Å; L564-Q568 VanDerWaalsContact O-N 3.11Å; L565-Q568 CarbonylContact O-C 3.53Å; L565-Q568 WeakPolarHBondContact O-CB 3.31Å; L565-Q568 PolarHBondContact O-N 3.3Å; L566-Q568 VanDerWaalsContact C-N 3.28Å; L566-Q568 PolarHBondContact O-N 3.24Å; Q568-F572 WeakPolarHBondContact O-CB 3.22Å
569	V	92.9	Very high	86.6	Confident	7 Å²	7	28.3 Å²	28.3	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-81	-55.8	168.8	167.3	0	0	0	0	109.4	V546 K549 L550 L565 L566 L567 K571 F572 V573	V546-V569 HydrophobicContact CG1-CG1 3.66Å; V546-V569 HydrophobicContact CG1-CG2 4.15Å; K549-V569 HydrophobicContact CB-CG2 3.64Å; K549-V569 HydrophobicContact CD-CG2 3.91Å; K549-V569 HydrophobicContact CG-CG2 4.41Å; L550-V569 HydrophobicContact CD2-CG2 4.2Å; L565-V569 PolarHBondContact O-N 3.23Å; L566-V569 WeakPolarHBondContact O-CA 3.36Å; L566-V569 WeakPolarHBondContact O-CB 3.38Å; L566-V569 PolarHBondContact O-N 2.87Å; L567-V569 VanDerWaalsContact C-N 3.28Å; L567-V569 PolarHBondContact O-N 3.38Å; V569-K571 VanDerWaalsContact C-N 3.35Å; V569-K571 PolarHBondContact O-N 3.41Å; V569-F572 CarbonylContact O-C 3.44Å; V569-F572 WeakPolarHBondContact O-CA 3.5Å; V569-F572 VanDerWaalsContact O-CB 3.31Å; V569-F572 WeakPolarHBondContact O-CB 3.48Å; V569-F572 PolarHBondContact O-N 3.03Å; V569-V573 HydrophobicContact CG1-CG2 4.42Å; V569-V573 PolarHBondContact O-N 3.15Å
570	C	90.9	Very high	84.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-37.4	-175.2	-63	0	0	0	0	113.2	L566 F572 V573 H574 F590 Y629	L566-C570 PolarHBondContact O-N 3.11Å; C570-F572 VanDerWaalsContact C-N 3.25Å; C570-F572 PolarHBondContact O-N 3.22Å; C570-V573 PolarHBondContact O-N 2.86Å; C570-H574 PolarHBondContact O-CD2 2.7Å; C570-H574 PolarHBondContact O-N 3Å; C570-F590 HydrophobicContact CB-CZ 4Å; C570-Y629 HydrophobicContact CB-CD1 3.32Å; C570-Y629 HydrophobicContact CB-CD2 4.35Å; C570-Y629 HydrophobicContact CB-CE1 3.65Å; C570-Y629 HydrophobicContact CB-CG 3.69Å
571	K	87.9	Confident	82.4	Confident	66 Å²	66	41.5 Å²	41.5	29%	0.287	21%	0.21	S	C	.	.	H	α-helix	trans	-68.7	-23.1	172.3	-66	177.6	-162	-119.2	0	113.5	L567 V569 K575 E625	L567-K571 WeakPolarHBondContact O-CB 3.34Å; L567-K571 VanDerWaalsContact O-CG 3.23Å; L567-K571 WeakPolarHBondContact O-CG 3.23Å; L567-K571 PolarHBondContact O-N 3.44Å; V569-K571 VanDerWaalsContact C-N 3.35Å; V569-K571 PolarHBondContact O-N 3.41Å; K571-K575 PolarHBondContact O-N 2.84Å; K571-E625 VanDerWaalsContact CE-OE1 3.23Å; K571-E625 WeakPolarHBondContact CE-OE1 3.25Å; K571-E625 WeakPolarHBondContact CE-OE2 3.42Å; K571-E625 IonicContact NZ-OE1 3.17Å; K571-E625 PolarHBondContact NZ-OE1 3.02Å; K571-E625 IonicContact NZ-OE2 2.7Å; K571-E625 PolarHBondContact NZ-OE2 3.16Å
572	F	87.4	Confident	80.2	Confident	26 Å²	26	43.1 Å²	43.1	11%	0.114	24%	0.237	C	C	.	.	H	α-helix	trans	-77.9	-41.3	171.7	-174.4	-105.2	0	0	0	110.4	E542 R545 V546 Q568 V569 C570 H574 K575 I576	E542-F572 HydrophobicContact CB-CE1 3.92Å; E542-F572 HydrophobicContact CB-CZ 3.94Å; E542-F572 HydrophobicContact CG-CE1 4.48Å; E542-F572 HydrophobicContact CG-CZ 4.01Å; E542-F572 WeakPolarHBondContact O-CE1 3.2Å; R545-F572 HydrophobicContact CB-CE1 4.39Å; R545-F572 HydrophobicContact CB-CZ 4.38Å; V546-F572 HydrophobicContact CG2-CD1 3.63Å; V546-F572 HydrophobicContact CG2-CE1 3.98Å; Q568-F572 WeakPolarHBondContact O-CB 3.22Å; V569-F572 CarbonylContact O-C 3.44Å; V569-F572 WeakPolarHBondContact O-CA 3.5Å; V569-F572 VanDerWaalsContact O-CB 3.31Å; V569-F572 WeakPolarHBondContact O-CB 3.48Å; V569-F572 PolarHBondContact O-N 3.03Å; C570-F572 VanDerWaalsContact C-N 3.25Å; C570-F572 PolarHBondContact O-N 3.22Å; F572-H574 VanDerWaalsContact C-N 3.32Å; F572-H574 PolarHBondContact O-N 3.3Å; F572-K575 WeakPolarHBondContact O-CA 3.4Å; F572-K575 WeakPolarHBondContact O-CB 3.47Å; F572-K575 PolarHBondContact O-N 2.95Å; F572-I576 HydrophobicContact CD1-CD1 3.71Å; F572-I576 HydrophobicContact CD1-CG2 4.12Å; F572-I576 HydrophobicContact CD2-CG2 4.21Å; F572-I576 HydrophobicContact CE1-CD1 3.68Å; F572-I576 HydrophobicContact CE1-CG2 3.74Å; F572-I576 HydrophobicContact CE2-CG2 3.84Å; F572-I576 HydrophobicContact CG-CG2 4.34Å; F572-I576 HydrophobicContact CZ-CG2 3.58Å; F572-I576 WeakPolarHBondContact O-CG1 3.08Å; F572-I576 WeakPolarHBondContact O-CG2 3.39Å; F572-I576 PolarHBondContact O-N 3.31Å
573	V	86.3	Confident	78	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-55.9	-44.4	170.5	180	0	0	0	0	111.5	V569 C570 K575 I576 C577 F590 A593 L594 V597	V569-V573 HydrophobicContact CG1-CG2 4.42Å; V569-V573 PolarHBondContact O-N 3.15Å; C570-V573 PolarHBondContact O-N 2.86Å; V573-K575 PolarHBondContact O-N 3.39Å; V573-I576 PolarHBondContact O-N 3.32Å; V573-C577 WeakPolarHBondContact O-CB 3.4Å; V573-C577 PolarHBondContact O-N 3.36Å; V573-F590 HydrophobicContact CB-CE2 4.02Å; V573-F590 HydrophobicContact CG1-CD2 4.25Å; V573-F590 HydrophobicContact CG1-CE2 3.82Å; V573-A593 HydrophobicContact CG1-CB 4.34Å; V573-L594 HydrophobicContact CG2-CD1 4.26Å; V573-V597 HydrophobicContact CG1-CG2 4.39Å; V573-V597 HydrophobicContact CG2-CB 4.28Å; V573-V597 HydrophobicContact CG2-CG1 4.02Å; V573-V597 HydrophobicContact CG2-CG2 4.11Å
574	H	83.3	Confident	76.1	Confident	49 Å²	49	56.7 Å²	56.7	23%	0.227	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-22.5	172.5	-82.4	-70.3	0	0	0	114.9	C570 F572 W587 F590 Y629	C570-H574 PolarHBondContact O-CD2 2.7Å; C570-H574 PolarHBondContact O-N 3Å; F572-H574 VanDerWaalsContact C-N 3.32Å; F572-H574 PolarHBondContact O-N 3.3Å; H574-W587 AromaticContact NE2-CH2 3.85Å; H574-F590 AromaticContact CD2-CD2 3.67Å; H574-F590 AromaticContact CD2-CE2 3.4Å; H574-F590 VanDerWaalsContact CD2-CE2 3.4Å; H574-F590 WeakPolarHBondContact CD2-CE2 3.35Å; H574-F590 AromaticContact CE1-CD2 3.26Å; H574-F590 WeakPolarHBondContact CE1-CD2 3.37Å; H574-F590 AromaticContact CE1-CE2 3.82Å; H574-F590 AromaticContact CE1-CG 3.71Å; H574-F590 AromaticContact CG-CD2 3.84Å; H574-F590 AromaticContact CG-CE2 3.89Å; H574-F590 AromaticContact ND1-CD2 3.59Å; H574-F590 AromaticContact NE2-CD2 3.31Å; H574-F590 VanDerWaalsContact NE2-CD2 3.31Å; H574-F590 WeakPolarHBondContact NE2-CD2 3.32Å; H574-F590 AromaticContact NE2-CE2 3.37Å; H574-F590 WeakPolarHBondContact NE2-CE2 3.34Å; H574-F590 AromaticContact NE2-CG 3.85Å; H574-F590 AromaticContact NE2-CZ 3.97Å; H574-Y629 AromaticContact CD2-CE1 3.77Å; H574-Y629 AromaticContact CD2-CZ 3.87Å; H574-Y629 PolarHBondContact CD2-OH 3.05Å; H574-Y629 AromaticContact NE2-CE1 3.47Å; H574-Y629 WeakPolarHBondContact NE2-CE1 3.49Å; H574-Y629 AromaticContact NE2-CZ 3.75Å; H574-Y629 PolarHBondContact NE2-OH 3.38Å; H574-Y629 VanDerWaalsContact NE2-OH 3.15Å
575	K	83.3	Confident	74.4	Confident	129 Å²	129	56.6 Å²	56.6	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-87.5	-33.4	178.7	-175.3	172	175.4	171.1	0	112.3	E251 K571 F572 V573	E251-K575 IonicContact OE1-NZ 3.68Å; E251-K575 PolarHBondContact OE1-NZ 3.25Å; E251-K575 IonicContact OE2-NZ 3.63Å; K571-K575 PolarHBondContact O-N 2.84Å; F572-K575 WeakPolarHBondContact O-CA 3.4Å; F572-K575 WeakPolarHBondContact O-CB 3.47Å; F572-K575 PolarHBondContact O-N 2.95Å; V573-K575 PolarHBondContact O-N 3.39Å
576	I	79.4	Confident	72.9	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-93.7	-20.8	-175.9	70.8	-162.3	0	0	0	113.7	P538 E542 F572 V573 P578	P538-I576 HydrophobicContact CB-CB 4.35Å; P538-I576 HydrophobicContact CB-CD1 3.66Å; P538-I576 HydrophobicContact CB-CG1 3.91Å; P538-I576 HydrophobicContact CG-CD1 4.39Å; E542-I576 HydrophobicContact CB-CD1 4.49Å; E542-I576 HydrophobicContact CB-CG2 4.43Å; E542-I576 HydrophobicContact CG-CG2 4.26Å; E542-I576 WeakPolarHBondContact OE1-CG2 3.41Å; F572-I576 HydrophobicContact CD1-CD1 3.71Å; F572-I576 HydrophobicContact CD1-CG2 4.12Å; F572-I576 HydrophobicContact CD2-CG2 4.21Å; F572-I576 HydrophobicContact CE1-CD1 3.68Å; F572-I576 HydrophobicContact CE1-CG2 3.74Å; F572-I576 HydrophobicContact CE2-CG2 3.84Å; F572-I576 HydrophobicContact CG-CG2 4.34Å; F572-I576 HydrophobicContact CZ-CG2 3.58Å; F572-I576 WeakPolarHBondContact O-CG1 3.08Å; F572-I576 WeakPolarHBondContact O-CG2 3.39Å; F572-I576 PolarHBondContact O-N 3.31Å; V573-I576 PolarHBondContact O-N 3.32Å; I576-P578 WeakPolarHBondContact O-CD 3.47Å
577	C	68.8	Low	71.4	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.02	33%	0.333	C	S	.	.	S	Bend	trans	-111.5	66.2	177.2	-63.5	0	0	0	0	111.6	G536 V573 A593	G536-C577 PolarHBondContact O-SG 3.49Å; V573-C577 WeakPolarHBondContact O-CB 3.4Å; V573-C577 PolarHBondContact O-N 3.36Å; C577-A593 HydrophobicContact CB-CB 4.03Å
578	P	62.5	Low	70.1	Confident	72 Å²	72	64.9 Å²	64.9	47%	0.468	35%	0.347	S	S	.	.			trans	-67.5	151.6	176.5	30.8	-35.5	0	0	0	111.4	I576	I576-P578 WeakPolarHBondContact O-CD 3.47Å
579	N	57.2	Low	69.3	Low	25 Å²	25	62.7 Å²	62.7	13%	0.134	34%	0.337	C	S	.	.			trans	-71.3	144.8	169.8	-83.8	21.7	0	0	0	110.4	T535 T581 G582 D589	T535-N579 VanDerWaalsContact CG2-OD1 3.25Å; T535-N579 WeakPolarHBondContact CG2-OD1 3.41Å; N579-T581 PolarHBondContact O-N 2.82Å; N579-G582 PolarHBondContact O-N 3.23Å; N579-D589 PolarHBondContact ND2-OD2 3.17Å
580	Q	51.6	Low	68.9	Low	171 Å²	171	62.5 Å²	62.5	80%	0.799	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.4	-174.2	-56.3	-177.8	15.9	0	0	114.6	R534	R534-Q580 PolarHBondContact O-NE2 3Å
581	T	49.3	Very low	68.6	Low	110 Å²	110	63.8 Å²	63.8	68%	0.675	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	2.7	-177.6	53	0	0	0	0	114.3	N579 Q583	N579-T581 PolarHBondContact O-N 2.82Å; T581-Q583 PolarHBondContact O-N 3.21Å
582	G	48.3	Very low	68.6	Low	77 Å²	77	60.9 Å²	60.9	79%	0.794	33%	0.331	S	S	*	.	S	Bend	trans	70.1	16.3	-178.5	0	0	0	0	0	114.9	N579	N579-G582 PolarHBondContact O-N 3.23Å
583	Q	48.3	Very low	68.6	Low	143 Å²	143	59.8 Å²	59.8	67%	0.668	33%	0.326	S	S	*	.	S	Bend	trans	-97.3	159.8	178.1	-166	168	16.1	0	0	111.1	T581 V585	T581-Q583 PolarHBondContact O-N 3.21Å; Q583-V585 PolarHBondContact O-N 3.06Å
584	D	54.7	Low	68.8	Low	160 Å²	160	59.8 Å²	59.8	86%	0.856	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-51	131	175.2	-68.4	-49.3	0	0	0	111.7	S586	D584-S586 PolarHBondContact O-N 2.89Å
585	V	55.2	Low	69.1	Low	32 Å²	32	57.5 Å²	57.5	19%	0.194	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-62.3	124.1	-175.6	178.6	0	0	0	0	110.8	Q583 D589 F590	Q583-V585 PolarHBondContact O-N 3.06Å; V585-D589 HydrophobicContact CG1-CB 4.03Å; V585-F590 HydrophobicContact CG1-CB 4.06Å
586	S	64.1	Low	69.5	Low	47 Å²	47	52.6 Å²	52.6	33%	0.329	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-70.1	155.9	177.1	-162.7	0	0	0	0	111.4	D584 D588 D589 F590	D584-S586 PolarHBondContact O-N 2.89Å; S586-D588 PolarHBondContact O-N 3.25Å; S586-D588 PolarHBondContact OG-OD2 3.04Å; S586-D589 VanDerWaalsContact CB-OD2 3.23Å; S586-D589 WeakPolarHBondContact CB-OD2 3.27Å; S586-D589 PolarHBondContact N-OD2 3.23Å; S586-D589 PolarHBondContact O-N 3.49Å; S586-F590 PolarHBondContact O-N 2.58Å
587	W	63.2	Low	70.1	Confident	95 Å²	95	52 Å²	52	36%	0.36	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-32.1	172	-77.7	121.8	0	0	0	112.9	H574 D589 F590 L591 Y628 Y629	H574-W587 AromaticContact NE2-CH2 3.85Å; W587-D589 PolarHBondContact O-N 2.92Å; W587-F590 HydrophobicContact CE3-CB 4.06Å; W587-F590 AromaticContact CE3-CD1 3.87Å; W587-F590 HydrophobicContact CE3-CD1 3.87Å; W587-F590 HydrophobicContact CE3-CG 4.22Å; W587-F590 HydrophobicContact CZ3-CB 4.14Å; W587-F590 AromaticContact CZ3-CD1 3.42Å; W587-F590 HydrophobicContact CZ3-CD1 3.42Å; W587-F590 VanDerWaalsContact CZ3-CD1 3.42Å; W587-F590 AromaticContact CZ3-CE1 3.92Å; W587-F590 HydrophobicContact CZ3-CE1 3.92Å; W587-F590 AromaticContact CZ3-CG 3.84Å; W587-F590 HydrophobicContact CZ3-CG 3.84Å; W587-L591 PolarHBondContact O-N 3.34Å; W587-Y628 HydrophobicContact CD2-CE1 4.32Å; W587-Y628 AromaticContact CD2-CZ 3.85Å; W587-Y628 AromaticContact CE2-CZ 3.66Å; W587-Y628 AromaticContact CE3-CE1 3.93Å; W587-Y628 HydrophobicContact CE3-CE1 3.93Å; W587-Y628 AromaticContact CE3-CZ 3.83Å; W587-Y628 AromaticContact CH2-CD1 3.8Å; W587-Y628 HydrophobicContact CH2-CD1 3.8Å; W587-Y628 AromaticContact CH2-CE1 3.1Å; W587-Y628 HydrophobicContact CH2-CE1 3.1Å; W587-Y628 AromaticContact CH2-CZ 3.61Å; W587-Y628 HydrophobicContact CZ2-CD1 4.13Å; W587-Y628 AromaticContact CZ2-CE1 3.5Å; W587-Y628 HydrophobicContact CZ2-CE1 3.5Å; W587-Y628 VanDerWaalsContact CZ2-CE1 3.5Å; W587-Y628 HydrophobicContact CZ2-CE2 4.17Å; W587-Y628 AromaticContact CZ2-CZ 3.55Å; W587-Y628 HydrophobicContact CZ3-CD1 4.36Å; W587-Y628 AromaticContact CZ3-CE1 3.32Å; W587-Y628 HydrophobicContact CZ3-CE1 3.32Å; W587-Y628 AromaticContact CZ3-CZ 3.72Å; W587-Y629 AromaticContact CH2-CE1 3.92Å; W587-Y629 HydrophobicContact CH2-CE1 3.92Å; W587-Y629 HydrophobicContact CZ3-CE1 4.36Å
588	D	65.1	Low	71.2	Confident	62 Å²	62	52.3 Å²	52.3	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-22	176.3	-38.4	-80.2	0	0	0	112.1	V188 S586 P592	V188-D588 PolarHBondContact N-OD1 3.46Å; S586-D588 PolarHBondContact O-N 3.25Å; S586-D588 PolarHBondContact OG-OD2 3.04Å; D588-P592 WeakPolarHBondContact O-CD 3.37Å
589	D	75.9	Confident	72.7	Confident	28 Å²	28	48.9 Å²	48.9	15%	0.15	27%	0.27	C	S	.	.	H	α-helix	trans	-94.4	-36.3	176.9	-60.1	-54	0	0	0	112.7	T535 N579 V585 S586 W587 P592 A593	T535-D589 HydrophobicContact CG2-CB 3.97Å; N579-D589 PolarHBondContact ND2-OD2 3.17Å; V585-D589 HydrophobicContact CG1-CB 4.03Å; S586-D589 VanDerWaalsContact CB-OD2 3.23Å; S586-D589 WeakPolarHBondContact CB-OD2 3.27Å; S586-D589 PolarHBondContact N-OD2 3.23Å; S586-D589 PolarHBondContact O-N 3.49Å; W587-D589 PolarHBondContact O-N 2.92Å; D589-P592 WeakPolarHBondContact O-CD 3.49Å; D589-A593 PolarHBondContact O-N 3.31Å
590	F	84.1	Confident	74.3	Confident	2 Å²	2	49 Å²	49	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-42.8	-175.6	174.1	-94.2	0	0	0	113.4	C570 V573 H574 V585 S586 W587 A593 L594 Y629	C570-F590 HydrophobicContact CB-CZ 4Å; V573-F590 HydrophobicContact CB-CE2 4.02Å; V573-F590 HydrophobicContact CG1-CD2 4.25Å; V573-F590 HydrophobicContact CG1-CE2 3.82Å; H574-F590 AromaticContact CD2-CD2 3.67Å; H574-F590 AromaticContact CD2-CE2 3.4Å; H574-F590 VanDerWaalsContact CD2-CE2 3.4Å; H574-F590 WeakPolarHBondContact CD2-CE2 3.35Å; H574-F590 AromaticContact CE1-CD2 3.26Å; H574-F590 WeakPolarHBondContact CE1-CD2 3.37Å; H574-F590 AromaticContact CE1-CE2 3.82Å; H574-F590 AromaticContact CE1-CG 3.71Å; H574-F590 AromaticContact CG-CD2 3.84Å; H574-F590 AromaticContact CG-CE2 3.89Å; H574-F590 AromaticContact ND1-CD2 3.59Å; H574-F590 AromaticContact NE2-CD2 3.31Å; H574-F590 VanDerWaalsContact NE2-CD2 3.31Å; H574-F590 WeakPolarHBondContact NE2-CD2 3.32Å; H574-F590 AromaticContact NE2-CE2 3.37Å; H574-F590 WeakPolarHBondContact NE2-CE2 3.34Å; H574-F590 AromaticContact NE2-CG 3.85Å; H574-F590 AromaticContact NE2-CZ 3.97Å; V585-F590 HydrophobicContact CG1-CB 4.06Å; S586-F590 PolarHBondContact O-N 2.58Å; W587-F590 HydrophobicContact CE3-CB 4.06Å; W587-F590 AromaticContact CE3-CD1 3.87Å; W587-F590 HydrophobicContact CE3-CD1 3.87Å; W587-F590 HydrophobicContact CE3-CG 4.22Å; W587-F590 HydrophobicContact CZ3-CB 4.14Å; W587-F590 AromaticContact CZ3-CD1 3.42Å; W587-F590 HydrophobicContact CZ3-CD1 3.42Å; W587-F590 VanDerWaalsContact CZ3-CD1 3.42Å; W587-F590 AromaticContact CZ3-CE1 3.92Å; W587-F590 HydrophobicContact CZ3-CE1 3.92Å; W587-F590 AromaticContact CZ3-CG 3.84Å; W587-F590 HydrophobicContact CZ3-CG 3.84Å; F590-A593 PolarHBondContact O-N 3.43Å; F590-A593 VanDerWaalsContact O-N 3.14Å; F590-L594 HydrophobicContact CD1-CB 4.39Å; F590-L594 HydrophobicContact CE1-CB 3.95Å; F590-L594 HydrophobicContact CE1-CD2 3.59Å; F590-L594 HydrophobicContact CE1-CG 4.3Å; F590-L594 HydrophobicContact CZ-CB 4.02Å; F590-L594 HydrophobicContact CZ-CD1 4.34Å; F590-L594 HydrophobicContact CZ-CD2 3.9Å; F590-L594 HydrophobicContact CZ-CG 4.31Å; F590-L594 WeakPolarHBondContact O-CB 3.33Å; F590-L594 PolarHBondContact O-N 3.16Å; F590-Y629 HydrophobicContact CE1-CD1 4.21Å; F590-Y629 HydrophobicContact CE1-CE1 4.22Å; F590-Y629 HydrophobicContact CE2-CE1 4.41Å; F590-Y629 HydrophobicContact CZ-CD1 4.01Å; F590-Y629 AromaticContact CZ-CE1 3.87Å; F590-Y629 HydrophobicContact CZ-CE1 3.87Å
591	L	85.6	Confident	76.3	Confident	27 Å²	27	41 Å²	41	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-40.7	-175.2	-169.3	71.2	0	0	0	112.7	W587 S595 S632 A635 S636 L639 L653	W587-L591 PolarHBondContact O-N 3.34Å; L591-S595 WeakPolarHBondContact O-CB 3.38Å; L591-S595 PolarHBondContact O-N 3.33Å; L591-S595 PolarHBondContact O-OG 2.86Å; L591-S632 WeakPolarHBondContact CD1-O 3.27Å; L591-A635 HydrophobicContact CD1-CB 4.34Å; L591-S636 WeakPolarHBondContact CD1-OG 3.37Å; L591-L639 HydrophobicContact CD2-CD1 3.84Å; L591-L639 HydrophobicContact CG-CD1 4.24Å; L591-L653 HydrophobicContact CD2-CD2 3.66Å
592	P	86.5	Confident	78.4	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.039	21%	0.212	C	C	.	.	H	α-helix	trans	-54	-50	165.6	-30.5	37.9	0	0	0	113.5	L531 V533 D588 D589 L594 S595 Y596 F649	L531-P592 WeakPolarHBondContact O-CB 3.27Å; V533-P592 HydrophobicContact CG2-CB 4.16Å; D588-P592 WeakPolarHBondContact O-CD 3.37Å; D589-P592 WeakPolarHBondContact O-CD 3.49Å; P592-L594 PolarHBondContact O-N 3.26Å; P592-S595 PolarHBondContact O-N 3.07Å; P592-Y596 PolarHBondContact O-N 3.28Å; P592-F649 HydrophobicContact CG-CD1 4.36Å; P592-F649 HydrophobicContact CG-CE1 4Å
593	A	87.5	Confident	80.5	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-43.1	-177.6	0	0	0	0	0	112.8	V573 C577 D589 F590 Y596 V597	V573-A593 HydrophobicContact CG1-CB 4.34Å; C577-A593 HydrophobicContact CB-CB 4.03Å; D589-A593 PolarHBondContact O-N 3.31Å; F590-A593 PolarHBondContact O-N 3.43Å; F590-A593 VanDerWaalsContact O-N 3.14Å; A593-Y596 PolarHBondContact O-N 3.05Å; A593-V597 WeakPolarHBondContact O-CG2 3.4Å; A593-V597 PolarHBondContact O-N 2.83Å
594	L	90.6	Very high	82.6	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-43.1	174.2	178.4	62.8	0	0	0	111.6	V573 F590 P592 Y596 V597 I598 V633	V573-L594 HydrophobicContact CG2-CD1 4.26Å; F590-L594 HydrophobicContact CD1-CB 4.39Å; F590-L594 HydrophobicContact CE1-CB 3.95Å; F590-L594 HydrophobicContact CE1-CD2 3.59Å; F590-L594 HydrophobicContact CE1-CG 4.3Å; F590-L594 HydrophobicContact CZ-CB 4.02Å; F590-L594 HydrophobicContact CZ-CD1 4.34Å; F590-L594 HydrophobicContact CZ-CD2 3.9Å; F590-L594 HydrophobicContact CZ-CG 4.31Å; F590-L594 WeakPolarHBondContact O-CB 3.33Å; F590-L594 PolarHBondContact O-N 3.16Å; P592-L594 PolarHBondContact O-N 3.26Å; L594-Y596 VanDerWaalsContact C-N 3.35Å; L594-Y596 PolarHBondContact O-N 3.1Å; L594-V597 PolarHBondContact O-N 2.94Å; L594-I598 HydrophobicContact CD1-CD1 4.14Å; L594-I598 HydrophobicContact CG-CD1 3.98Å; L594-I598 VanDerWaalsContact O-CG1 3.31Å; L594-I598 WeakPolarHBondContact O-CG1 3.18Å; L594-I598 PolarHBondContact O-N 3.49Å; L594-V633 HydrophobicContact CD1-CG2 4.24Å; L594-V633 HydrophobicContact CD2-CG2 3.8Å; L594-V633 HydrophobicContact CG-CG2 4.49Å
595	S	90.7	Very high	84.3	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-41.1	178.4	-52	0	0	0	0	111.4	L591 P592 I598 V599 S636	L591-S595 WeakPolarHBondContact O-CB 3.38Å; L591-S595 PolarHBondContact O-N 3.33Å; L591-S595 PolarHBondContact O-OG 2.86Å; P592-S595 PolarHBondContact O-N 3.07Å; S595-I598 PolarHBondContact O-N 3.33Å; S595-V599 WeakPolarHBondContact O-CG2 3.36Å; S595-V599 PolarHBondContact O-N 3.22Å; S595-S636 WeakPolarHBondContact OG-CB 3.39Å; S595-S636 PolarHBondContact OG-OG 3.21Å
596	Y	90.2	Very high	86.2	Confident	26 Å²	26	27.2 Å²	27.2	10%	0.102	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-46	174.2	172.9	-90.7	0	0	0	112.1	A527 M528 L531 V533 V537 P538 P592 A593 L594 I598 V599 E600	A527-Y596 HydrophobicContact CB-CD2 3.84Å; A527-Y596 HydrophobicContact CB-CE2 3.75Å; M528-Y596 HydrophobicContact CG-CD2 4.19Å; M528-Y596 HydrophobicContact CG-CE2 3.92Å; L531-Y596 HydrophobicContact CD1-CD2 4.49Å; V533-Y596 HydrophobicContact CG2-CD2 4.5Å; V533-Y596 HydrophobicContact CG2-CG 4.29Å; V537-Y596 HydrophobicContact CG1-CE1 3.89Å; V537-Y596 WeakPolarHBondContact CG1-OH 3.15Å; P538-Y596 HydrophobicContact CG-CD1 4.38Å; P538-Y596 HydrophobicContact CG-CE1 4Å; P592-Y596 PolarHBondContact O-N 3.28Å; A593-Y596 PolarHBondContact O-N 3.05Å; L594-Y596 VanDerWaalsContact C-N 3.35Å; L594-Y596 PolarHBondContact O-N 3.1Å; Y596-I598 VanDerWaalsContact C-N 3.27Å; Y596-I598 PolarHBondContact O-N 2.7Å; Y596-V599 WeakPolarHBondContact O-CB 3.44Å; Y596-V599 PolarHBondContact O-N 2.96Å; Y596-V599 VanDerWaalsContact O-N 3.14Å; Y596-E600 HydrophobicContact CE1-CG 3.88Å; Y596-E600 HydrophobicContact CE2-CG 3.98Å; Y596-E600 PolarHBondContact O-N 3.34Å
597	V	91.9	Very high	87.6	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-37.5	176.1	168.2	0	0	0	0	111.7	P538 V546 V573 A593 L594 C601	P538-V597 HydrophobicContact CG-CG2 3.97Å; V546-V597 HydrophobicContact CB-CG1 4.26Å; V546-V597 HydrophobicContact CG1-CG1 3.85Å; V546-V597 HydrophobicContact CG2-CG1 4.06Å; V573-V597 HydrophobicContact CG1-CG2 4.39Å; V573-V597 HydrophobicContact CG2-CB 4.28Å; V573-V597 HydrophobicContact CG2-CG1 4.02Å; V573-V597 HydrophobicContact CG2-CG2 4.11Å; A593-V597 WeakPolarHBondContact O-CG2 3.4Å; A593-V597 PolarHBondContact O-N 2.83Å; L594-V597 PolarHBondContact O-N 2.94Å; V597-C601 VanDerWaalsContact O-CB 3.31Å; V597-C601 WeakPolarHBondContact O-CB 3.21Å; V597-C601 PolarHBondContact O-N 3.03Å; V597-C601 PolarHBondContact O-SG 3.03Å
598	I	93.4	Very high	89.1	Confident	9 Å²	9	21.5 Å²	21.5	5%	0.046	11%	0.105	C	C	.	.	H	α-helix	trans	-67.4	-40.3	176.2	-69.6	163.3	0	0	0	111.3	L519 L594 S595 Y596 C601 N602 L606 V633 L637 I640	L519-I598 HydrophobicContact CD2-CG2 4.25Å; L594-I598 HydrophobicContact CD1-CD1 4.14Å; L594-I598 HydrophobicContact CG-CD1 3.98Å; L594-I598 VanDerWaalsContact O-CG1 3.31Å; L594-I598 WeakPolarHBondContact O-CG1 3.18Å; L594-I598 PolarHBondContact O-N 3.49Å; S595-I598 PolarHBondContact O-N 3.33Å; Y596-I598 VanDerWaalsContact C-N 3.27Å; Y596-I598 PolarHBondContact O-N 2.7Å; I598-C601 PolarHBondContact O-N 2.8Å; I598-N602 PolarHBondContact O-N 2.9Å; I598-N602 VanDerWaalsContact O-N 3.16Å; I598-L606 HydrophobicContact CD1-CD2 4.32Å; I598-L606 HydrophobicContact CG1-CD2 4.01Å; I598-L606 HydrophobicContact CG2-CD2 4.12Å; I598-V633 HydrophobicContact CD1-CG1 4.05Å; I598-L637 HydrophobicContact CG2-CD2 4.17Å; I598-I640 HydrophobicContact CB-CD1 4.12Å; I598-I640 HydrophobicContact CG2-CD1 3.68Å
599	V	93.1	Very high	90.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-51	173.4	168.9	0	0	0	0	111.6	L519 L522 K523 L531 S595 Y596 C601 N602 I640	L519-V599 HydrophobicContact CD2-CG2 4.14Å; L522-V599 HydrophobicContact CB-CG1 3.93Å; L522-V599 HydrophobicContact CB-CG2 4.09Å; L522-V599 HydrophobicContact CD1-CG2 4.17Å; K523-V599 HydrophobicContact CB-CG1 4.03Å; L531-V599 HydrophobicContact CD1-CG2 4.2Å; S595-V599 WeakPolarHBondContact O-CG2 3.36Å; S595-V599 PolarHBondContact O-N 3.22Å; Y596-V599 WeakPolarHBondContact O-CB 3.44Å; Y596-V599 PolarHBondContact O-N 2.96Å; Y596-V599 VanDerWaalsContact O-N 3.14Å; V599-C601 VanDerWaalsContact C-N 3.29Å; V599-C601 PolarHBondContact O-N 3.33Å; V599-N602 WeakPolarHBondContact O-CA 3.39Å; V599-N602 PolarHBondContact O-N 3.3Å; V599-I640 HydrophobicContact CG2-CD1 3.84Å; V599-I640 HydrophobicContact CG2-CG1 4.09Å
600	E	91.2	Very high	91.5	Very high	26 Å²	26	17.8 Å²	17.8	12%	0.121	9%	0.085	C	C	.	.	H	α-helix	trans	-70.3	-24.3	-179.6	-71.2	-56.7	146.3	0	0	113.5	K523 G524 V543 K547 Y596 N602	K523-E600 WeakPolarHBondContact CE-OE2 3.43Å; K523-E600 VanDerWaalsContact CG-OE1 3.28Å; K523-E600 WeakPolarHBondContact CG-OE1 3.44Å; K523-E600 IonicContact NZ-OE2 2.72Å; G524-E600 PolarHBondContact N-OE1 3.43Å; G524-E600 VanDerWaalsContact N-OE1 3.09Å; V543-E600 HydrophobicContact CG1-CB 3.99Å; V543-E600 HydrophobicContact CG2-CB 4.26Å; K547-E600 WeakPolarHBondContact CE-O 3.19Å; Y596-E600 HydrophobicContact CE1-CG 3.88Å; Y596-E600 HydrophobicContact CE2-CG 3.98Å; Y596-E600 PolarHBondContact O-N 3.34Å; E600-N602 VanDerWaalsContact C-N 3.33Å
601	C	93.1	Very high	91.9	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-66.3	-34.4	167.4	-75.5	0	0	0	0	112.8	V546 K547 L550 V597 I598 V599	V546-C601 VanDerWaalsContact CG1-SG 3.52Å; K547-C601 HydrophobicContact CG-CB 3.92Å; L550-C601 HydrophobicContact CD1-CB 3.85Å; V597-C601 VanDerWaalsContact O-CB 3.31Å; V597-C601 WeakPolarHBondContact O-CB 3.21Å; V597-C601 PolarHBondContact O-N 3.03Å; V597-C601 PolarHBondContact O-SG 3.03Å; I598-C601 PolarHBondContact O-N 2.8Å; V599-C601 VanDerWaalsContact C-N 3.29Å; V599-C601 PolarHBondContact O-N 3.33Å
602	N	92.8	Very high	92.3	Very high	46 Å²	46	18.6 Å²	18.6	25%	0.246	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	60.2	-176.6	-168.2	23.8	0	0	0	113.5	L519 L520 I598 V599 E600	L519-N602 WeakPolarHBondContact CB-OD1 3.36Å; L520-N602 WeakPolarHBondContact CD2-ND2 3.15Å; I598-N602 PolarHBondContact O-N 2.9Å; I598-N602 VanDerWaalsContact O-N 3.16Å; V599-N602 WeakPolarHBondContact O-CA 3.39Å; V599-N602 PolarHBondContact O-N 3.3Å; E600-N602 VanDerWaalsContact C-N 3.33Å
603	R	93.7	Very high	92.7	Very high	87 Å²	87	18.3 Å²	18.3	33%	0.328	9%	0.086	S	C	.	.			trans	-123.3	84.4	-179	-69.6	-65.7	177.3	157.8	-7.6	111.2	L550 H605 L606	L550-R603 HydrophobicContact CD1-CB 4.41Å; L550-R603 HydrophobicContact CD1-CG 4.4Å; R603-H605 PolarHBondContact O-N 2.62Å; R603-L606 WeakPolarHBondContact O-CB 3.34Å; R603-L606 PolarHBondContact O-N 2.82Å
604	P	91.3	Very high	92.9	Very high	22 Å²	22	18.2 Å²	18.2	14%	0.143	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29	-177.5	23.9	-34.6	0	0	0	113.6	T512 L515 T516 L519 L606 L607	T512-P604 HydrophobicContact CG2-CB 4.41Å; L515-P604 HydrophobicContact CD2-CB 4.25Å; L515-P604 WeakPolarHBondContact CD2-O 3.45Å; L515-P604 HydrophobicContact CG-CB 4.26Å; T516-P604 VanDerWaalsContact OG1-CB 3.3Å; T516-P604 WeakPolarHBondContact OG1-CB 3.47Å; T516-P604 WeakPolarHBondContact OG1-CG 3.48Å; L519-P604 HydrophobicContact CD1-CB 4.09Å; P604-L606 PolarHBondContact O-N 2.84Å; P604-L607 PolarHBondContact O-N 2.93Å
605	H	92.1	Very high	92.9	Very high	72 Å²	72	18.3 Å²	18.3	33%	0.333	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-19.7	172.8	-66.6	-64.5	0	0	0	114.3	R603 L607 V608 E609	R603-H605 PolarHBondContact O-N 2.62Å; H605-L607 PolarHBondContact O-N 3.13Å; H605-L607 VanDerWaalsContact O-N 3.15Å; H605-V608 WeakPolarHBondContact O-CB 3.49Å; H605-V608 PolarHBondContact O-N 3.07Å; H605-E609 WeakPolarHBondContact O-CG 3.28Å; H605-E609 PolarHBondContact O-N 2.9Å; H605-E609 VanDerWaalsContact O-N 3.15Å
606	L	95.1	Very high	93	Very high	7 Å²	7	18.2 Å²	18.2	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-56.6	-28.7	176.7	-176.6	57.3	0	0	0	112.8	L550 M553 I598 R603 P604 E609 V610 V633 L637	L550-L606 HydrophobicContact CD1-CD2 4.37Å; L550-L606 HydrophobicContact CD2-CD1 4.06Å; L550-L606 HydrophobicContact CD2-CD2 4.42Å; M553-L606 HydrophobicContact CE-CD1 3.35Å; I598-L606 HydrophobicContact CD1-CD2 4.32Å; I598-L606 HydrophobicContact CG1-CD2 4.01Å; I598-L606 HydrophobicContact CG2-CD2 4.12Å; R603-L606 WeakPolarHBondContact O-CB 3.34Å; R603-L606 PolarHBondContact O-N 2.82Å; P604-L606 PolarHBondContact O-N 2.84Å; L606-E609 HydrophobicContact CD1-CB 4.43Å; L606-E609 PolarHBondContact O-N 2.69Å; L606-V610 HydrophobicContact CD1-CG2 4.1Å; L606-V610 HydrophobicContact CG-CG2 4.34Å; L606-V610 WeakPolarHBondContact O-CB 3.45Å; L606-V610 VanDerWaalsContact O-CG2 3.22Å; L606-V610 WeakPolarHBondContact O-CG2 3.37Å; L606-V610 PolarHBondContact O-N 2.79Å; L606-V633 HydrophobicContact CD2-CG1 4.11Å; L606-V633 HydrophobicContact CG-CG1 4.34Å; L606-L637 HydrophobicContact CB-CD2 4.46Å; L606-L637 HydrophobicContact CD2-CD2 4.45Å; L606-L637 HydrophobicContact CG-CD1 4.3Å; L606-L637 HydrophobicContact CG-CD2 4.42Å
607	L	93.5	Very high	93	Very high	11 Å²	11	17 Å²	17	6%	0.058	8%	0.08	C	C	.	.	H	α-helix	trans	-58.5	-49.7	172.6	-179	65.5	0	0	0	111.9	L515 P604 H605 E609 V610 E611 L637	L515-L607 HydrophobicContact CD2-CB 3.72Å; L515-L607 HydrophobicContact CD2-CD2 4.16Å; L515-L607 HydrophobicContact CD2-CG 4.48Å; P604-L607 PolarHBondContact O-N 2.93Å; H605-L607 PolarHBondContact O-N 3.13Å; H605-L607 VanDerWaalsContact O-N 3.15Å; L607-E609 VanDerWaalsContact C-N 3.34Å; L607-E609 PolarHBondContact O-N 3.18Å; L607-V610 PolarHBondContact O-N 2.66Å; L607-E611 PolarHBondContact O-N 3.36Å; L607-L637 HydrophobicContact CD1-CD1 4.38Å
608	V	93.9	Very high	92.6	Very high	10 Å²	10	19.1 Å²	19.1	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-40.7	180	-170.6	0	0	0	0	111	L502 H605 V610 Y612	L502-V608 HydrophobicContact CB-CG1 3.54Å; L502-V608 HydrophobicContact CD1-CG1 3.81Å; L502-V608 HydrophobicContact CG-CG1 4.27Å; H605-V608 WeakPolarHBondContact O-CB 3.49Å; H605-V608 PolarHBondContact O-N 3.07Å; V608-V610 VanDerWaalsContact C-N 3.31Å; V608-V610 PolarHBondContact O-N 3.38Å; V608-Y612 WeakPolarHBondContact O-CB 3.43Å; V608-Y612 PolarHBondContact O-N 2.72Å
609	E	95.6	Very high	92	Very high	13 Å²	13	20.4 Å²	20.4	6%	0.061	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-38.1	176.3	-65	-59.6	143.2	0	0	112.8	M553 Q554 K562 H605 L606 L607 M613	M553-E609 HydrophobicContact CE-CB 4.41Å; Q554-E609 WeakPolarHBondContact CA-OE1 3.26Å; K562-E609 WeakPolarHBondContact CE-OE2 3.44Å; K562-E609 IonicContact NZ-OE1 2.73Å; K562-E609 IonicContact NZ-OE2 2.82Å; K562-E609 PolarHBondContact NZ-OE2 3.49Å; H605-E609 WeakPolarHBondContact O-CG 3.28Å; H605-E609 PolarHBondContact O-N 2.9Å; H605-E609 VanDerWaalsContact O-N 3.15Å; L606-E609 HydrophobicContact CD1-CB 4.43Å; L606-E609 PolarHBondContact O-N 2.69Å; L607-E609 VanDerWaalsContact C-N 3.34Å; L607-E609 PolarHBondContact O-N 3.18Å; E609-M613 VanDerWaalsContact O-CE 3.25Å; E609-M613 WeakPolarHBondContact O-CE 3.39Å; E609-M613 WeakPolarHBondContact O-CG 3.13Å; E609-M613 PolarHBondContact O-N 3.37Å; E609-M613 VanDerWaalsContact O-N 3.12Å
610	V	94.9	Very high	91.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-73.4	-45.1	179.2	167.8	0	0	0	0	111.2	L606 L607 V608 Y612 M613 M614 L630 V633 Y634 L637	L606-V610 HydrophobicContact CD1-CG2 4.1Å; L606-V610 HydrophobicContact CG-CG2 4.34Å; L606-V610 WeakPolarHBondContact O-CB 3.45Å; L606-V610 VanDerWaalsContact O-CG2 3.22Å; L606-V610 WeakPolarHBondContact O-CG2 3.37Å; L606-V610 PolarHBondContact O-N 2.79Å; L607-V610 PolarHBondContact O-N 2.66Å; V608-V610 VanDerWaalsContact C-N 3.31Å; V608-V610 PolarHBondContact O-N 3.38Å; V610-Y612 PolarHBondContact O-N 2.83Å; V610-M613 HydrophobicContact CG2-CE 4.22Å; V610-M613 PolarHBondContact O-N 2.91Å; V610-M614 HydrophobicContact CG1-CG 4.35Å; V610-M614 HydrophobicContact CG1-SD 3.42Å; V610-M614 WeakPolarHBondContact CG1-SD 3.49Å; V610-M614 VanDerWaalsContact O-CB 3.3Å; V610-M614 WeakPolarHBondContact O-CB 3.18Å; V610-M614 VanDerWaalsContact O-CG 3.25Å; V610-M614 WeakPolarHBondContact O-CG 3.48Å; V610-M614 PolarHBondContact O-N 3.04Å; V610-L630 HydrophobicContact CG1-CD1 4.16Å; V610-L630 HydrophobicContact CG2-CD1 4.48Å; V610-V633 HydrophobicContact CG2-CB 4.49Å; V610-V633 HydrophobicContact CG2-CG1 3.76Å; V610-Y634 HydrophobicContact CG1-CD2 3.8Å; V610-Y634 HydrophobicContact CG1-CG 4.24Å; V610-L637 HydrophobicContact CB-CD1 4.1Å; V610-L637 HydrophobicContact CG1-CD1 4.34Å; V610-L637 HydrophobicContact CG2-CD1 3.91Å
611	E	93.2	Very high	90.5	Very high	30 Å²	30	24 Å²	24	14%	0.14	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-45.3	173.3	-169.3	175.2	133.9	0	0	111.3	S441 V442 L445 H506 L607 M613 M614 E615	S441-E611 WeakPolarHBondContact CB-OE1 3.41Å; S441-E611 PolarHBondContact OG-OE1 3.31Å; V442-E611 PolarHBondContact N-OE1 2.68Å; L445-E611 HydrophobicContact CD1-CG 3.84Å; H506-E611 IonicContact CE1-OE1 3.98Å; H506-E611 IonicContact CE1-OE2 2.68Å; H506-E611 PolarHBondContact CE1-OE2 3.46Å; H506-E611 VanDerWaalsContact CE1-OE2 3.23Å; H506-E611 IonicContact NE2-OE1 2.72Å; H506-E611 IonicContact NE2-OE2 3.89Å; L607-E611 PolarHBondContact O-N 3.36Å; E611-M613 VanDerWaalsContact C-N 3.34Å; E611-M613 PolarHBondContact O-N 2.8Å; E611-M614 PolarHBondContact O-N 3.41Å; E611-M614 VanDerWaalsContact O-N 3.14Å; E611-E615 HydrophobicContact CG-CG 4.27Å; E611-E615 PolarHBondContact O-N 2.93Å
612	Y	94.8	Very high	89.8	Confident	15 Å²	15	23.8 Å²	23.8	6%	0.059	12%	0.12	C	C	.	.	H	α-helix	trans	-55.4	-45	175.9	-174.3	-88.2	0	0	0	112.6	L445 L498 L502 H557 P559 K562 V608 V610 L616	L445-Y612 HydrophobicContact CD2-CD2 3.86Å; L445-Y612 HydrophobicContact CD2-CE2 4.44Å; L498-Y612 HydrophobicContact CD1-CE2 4.17Å; L502-Y612 HydrophobicContact CD1-CD2 4.05Å; H557-Y612 PolarHBondContact O-OH 3.47Å; H557-Y612 VanDerWaalsContact O-OH 3.07Å; P559-Y612 HydrophobicContact CG-CD1 4.39Å; P559-Y612 HydrophobicContact CG-CE1 3.86Å; K562-Y612 HydrophobicContact CD-CD1 3.81Å; K562-Y612 HydrophobicContact CD-CE1 4.04Å; K562-Y612 VanDerWaalsContact CE-CE1 3.47Å; V608-Y612 WeakPolarHBondContact O-CB 3.43Å; V608-Y612 PolarHBondContact O-N 2.72Å; V610-Y612 PolarHBondContact O-N 2.83Å; Y612-L616 HydrophobicContact CD1-CD1 3.97Å; Y612-L616 HydrophobicContact CD2-CD1 3.66Å; Y612-L616 HydrophobicContact CE1-CD1 3.73Å; Y612-L616 HydrophobicContact CE2-CD1 3.4Å; Y612-L616 VanDerWaalsContact CE2-CD1 3.4Å; Y612-L616 HydrophobicContact CG-CD1 3.93Å; Y612-L616 VanDerWaalsContact CZ-CD1 3.44Å; Y612-L616 VanDerWaalsContact O-CB 3.26Å; Y612-L616 WeakPolarHBondContact O-CB 3.27Å; Y612-L616 WeakPolarHBondContact O-CG 3.45Å; Y612-L616 PolarHBondContact O-N 2.83Å
613	M	95	Very high	88.8	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-46.9	173.9	-75.3	-177	-79.7	0	0	112	M553 K562 V563 L566 E609 V610 E611 E615 L617 L630	M553-M613 HydrophobicContact CE-CE 4.45Å; M553-M613 HydrophobicContact SD-CE 3.75Å; M553-M613 HydrophobicContact SD-SD 4.39Å; K562-M613 VanDerWaalsContact C-SD 3.56Å; K562-M613 HydrophobicContact CB-CE 4.4Å; K562-M613 HydrophobicContact CB-CG 3.76Å; K562-M613 HydrophobicContact CB-SD 3.46Å; K562-M613 WeakPolarHBondContact CB-SD 3.32Å; K562-M613 HydrophobicContact CD-CG 4.15Å; V563-M613 HydrophobicContact CB-SD 4.33Å; V563-M613 HydrophobicContact CG2-CB 4.37Å; V563-M613 HydrophobicContact CG2-CG 4.15Å; V563-M613 HydrophobicContact CG2-SD 3.5Å; V563-M613 VanDerWaalsContact CG2-SD 3.5Å; V563-M613 PolarHBondContact N-SD 3.19Å; V563-M613 VanDerWaalsContact N-SD 3.45Å; L566-M613 HydrophobicContact CD1-CE 4.43Å; L566-M613 HydrophobicContact CD2-CE 4.1Å; E609-M613 VanDerWaalsContact O-CE 3.25Å; E609-M613 WeakPolarHBondContact O-CE 3.39Å; E609-M613 WeakPolarHBondContact O-CG 3.13Å; E609-M613 PolarHBondContact O-N 3.37Å; E609-M613 VanDerWaalsContact O-N 3.12Å; V610-M613 HydrophobicContact CG2-CE 4.22Å; V610-M613 PolarHBondContact O-N 2.91Å; E611-M613 VanDerWaalsContact C-N 3.34Å; E611-M613 PolarHBondContact O-N 2.8Å; M613-E615 PolarHBondContact O-N 3.02Å; M613-L617 HydrophobicContact CB-CD1 4.33Å; M613-L617 WeakPolarHBondContact O-CB 3.21Å; M613-L617 VanDerWaalsContact O-CD1 3.24Å; M613-L617 WeakPolarHBondContact O-CD1 3.47Å; M613-L617 WeakPolarHBondContact O-CG 3.38Å; M613-L617 PolarHBondContact O-N 3.25Å; M613-L630 HydrophobicContact CB-CD1 3.81Å; M613-L630 HydrophobicContact CB-CD2 3.95Å; M613-L630 HydrophobicContact CE-CD1 3.83Å; M613-L630 HydrophobicContact SD-CD1 4.07Å
614	M	91.1	Very high	88.2	Confident	1 Å²	1	21 Å²	21	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-35.5	-172.1	-79.1	173.1	63	0	0	113.5	V610 E611 L630 Y634 W664 R668	V610-M614 HydrophobicContact CG1-CG 4.35Å; V610-M614 HydrophobicContact CG1-SD 3.42Å; V610-M614 WeakPolarHBondContact CG1-SD 3.49Å; V610-M614 VanDerWaalsContact O-CB 3.3Å; V610-M614 WeakPolarHBondContact O-CB 3.18Å; V610-M614 VanDerWaalsContact O-CG 3.25Å; V610-M614 WeakPolarHBondContact O-CG 3.48Å; V610-M614 PolarHBondContact O-N 3.04Å; E611-M614 PolarHBondContact O-N 3.41Å; E611-M614 VanDerWaalsContact O-N 3.14Å; M614-L630 HydrophobicContact CG-CD1 3.98Å; M614-L630 HydrophobicContact CG-CD2 3.62Å; M614-L630 HydrophobicContact CG-CG 3.63Å; M614-L630 HydrophobicContact SD-CG 4.33Å; M614-Y634 HydrophobicContact CE-CD1 3.83Å; M614-Y634 HydrophobicContact CE-CD2 3.92Å; M614-Y634 HydrophobicContact CE-CE1 4.15Å; M614-Y634 HydrophobicContact CE-CE2 4.24Å; M614-Y634 HydrophobicContact CE-CG 3.7Å; M614-Y634 HydrophobicContact SD-CD1 4.42Å; M614-Y634 HydrophobicContact SD-CD2 3.72Å; M614-Y634 HydrophobicContact SD-CE2 4.45Å; M614-Y634 HydrophobicContact SD-CG 3.69Å; M614-W664 HydrophobicContact CB-CZ2 3.85Å; M614-W664 HydrophobicContact CE-CD2 3.33Å; M614-W664 HydrophobicContact CE-CE3 3.85Å; M614-W664 HydrophobicContact CE-CG 3.63Å; M614-W664 HydrophobicContact CE-CH2 4.24Å; M614-W664 HydrophobicContact CE-CZ2 3.78Å; M614-W664 HydrophobicContact CE-CZ3 4.27Å; M614-W664 HydrophobicContact CG-CZ2 3.95Å; M614-R668 VanDerWaalsContact O-CZ 3.27Å; M614-R668 PolarHBondContact O-NE 3.33Å; M614-R668 PolarHBondContact O-NH2 3.09Å
615	E	91.3	Very high	87.8	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-90	-36.4	179.6	-58.1	-62.7	159.1	0	0	113.5	L445 E611 M613 W664 R667 R668	L445-E615 HydrophobicContact CB-CB 3.64Å; L445-E615 HydrophobicContact CB-CG 4.2Å; L445-E615 HydrophobicContact CD1-CB 4.19Å; L445-E615 HydrophobicContact CD1-CG 4.19Å; E611-E615 HydrophobicContact CG-CG 4.27Å; E611-E615 PolarHBondContact O-N 2.93Å; M613-E615 PolarHBondContact O-N 3.02Å; E615-W664 VanDerWaalsContact OE1-CD1 3.28Å; E615-R667 IonicContact OE1-CZ 2.79Å; E615-R667 IonicContact OE1-NH1 3.65Å; E615-R667 PolarHBondContact OE1-NH1 3.23Å; E615-R667 IonicContact OE1-NH2 2.69Å; E615-R667 IonicContact OE2-NH1 3.79Å; E615-R668 PolarHBondContact O-NH1 3.45Å; E615-R668 PolarHBondContact O-NH2 3.45Å; E615-R668 VanDerWaalsContact OE2-CD 3.31Å; E615-R668 WeakPolarHBondContact OE2-CD 3.28Å
616	L	92.4	Very high	87.4	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-87.2	-17.6	-174	-63.5	177.4	0	0	0	115.9	L445 L448 R449 L452 L491 P559 Y612	L445-L616 HydrophobicContact CB-CD2 4.29Å; L445-L616 HydrophobicContact CD2-CD1 3.85Å; L445-L616 HydrophobicContact CD2-CD2 4.15Å; L445-L616 HydrophobicContact CD2-CG 3.92Å; L445-L616 VanDerWaalsContact O-CD2 3.23Å; L445-L616 WeakPolarHBondContact O-CD2 3.41Å; L448-L616 HydrophobicContact CB-CD2 3.92Å; L448-L616 HydrophobicContact CD2-CD1 4.29Å; L448-L616 HydrophobicContact CD2-CD2 3.96Å; L448-L616 HydrophobicContact CG-CD2 3.85Å; R449-L616 HydrophobicContact CB-CD2 4.29Å; R449-L616 WeakPolarHBondContact CD-O 3.45Å; R449-L616 PolarHBondContact NH1-O 3.19Å; L452-L616 HydrophobicContact CD1-CD2 4.39Å; L491-L616 HydrophobicContact CD1-CD1 4.29Å; L491-L616 HydrophobicContact CD2-CD1 4.27Å; P559-L616 HydrophobicContact CB-CB 4.44Å; P559-L616 HydrophobicContact CG-CB 3.82Å; P559-L616 HydrophobicContact CG-CD1 4.32Å; Y612-L616 HydrophobicContact CD1-CD1 3.97Å; Y612-L616 HydrophobicContact CD2-CD1 3.66Å; Y612-L616 HydrophobicContact CE1-CD1 3.73Å; Y612-L616 HydrophobicContact CE2-CD1 3.4Å; Y612-L616 VanDerWaalsContact CE2-CD1 3.4Å; Y612-L616 HydrophobicContact CG-CD1 3.93Å; Y612-L616 VanDerWaalsContact CZ-CD1 3.44Å; Y612-L616 VanDerWaalsContact O-CB 3.26Å; Y612-L616 WeakPolarHBondContact O-CB 3.27Å; Y612-L616 WeakPolarHBondContact O-CG 3.45Å; Y612-L616 PolarHBondContact O-N 2.83Å
617	L	90.2	Very high	86.9	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.01	13%	0.128	C	C	.	.	S	Bend	trans	-66.3	153.7	173.3	-73.7	167.5	0	0	0	111.4	P559 I560 V563 M613 W621 L622 L630 R668	P559-L617 HydrophobicContact CB-CD2 3.8Å; P559-L617 HydrophobicContact CB-CG 3.97Å; I560-L617 HydrophobicContact CG1-CD2 3.71Å; V563-L617 HydrophobicContact CG2-CD1 3.65Å; M613-L617 HydrophobicContact CB-CD1 4.33Å; M613-L617 WeakPolarHBondContact O-CB 3.21Å; M613-L617 VanDerWaalsContact O-CD1 3.24Å; M613-L617 WeakPolarHBondContact O-CD1 3.47Å; M613-L617 WeakPolarHBondContact O-CG 3.38Å; M613-L617 PolarHBondContact O-N 3.25Å; L617-W621 HydrophobicContact CB-CB 4.24Å; L617-W621 HydrophobicContact CD2-CB 3.95Å; L617-W621 HydrophobicContact CD2-CG 4.28Å; L617-W621 HydrophobicContact CG-CB 4.47Å; L617-L622 HydrophobicContact CB-CD2 4.22Å; L617-L622 HydrophobicContact CB-CG 4.41Å; L617-L622 HydrophobicContact CD1-CD2 3.93Å; L617-L630 HydrophobicContact CD1-CD2 4.02Å; L617-R668 PolarHBondContact O-NH2 3.03Å
618	E	82.8	Confident	86.5	Confident	46 Å²	46	21.6 Å²	21.6	22%	0.215	13%	0.132	C	C	.	.			trans	-70.4	144.1	163.8	-169.7	-176.6	-124.6	0	0	108.8	S620 W621	E618-S620 PolarHBondContact O-N 3.25Å; E618-S620 WeakPolarHBondContact OE2-CB 3.26Å; E618-S620 PolarHBondContact OE2-OG 3.08Å; E618-W621 WeakPolarHBondContact O-CB 3.26Å; E618-W621 PolarHBondContact O-N 3.47Å
619	P	80.8	Confident	86.4	Confident	36 Å²	36	22.1 Å²	22.1	23%	0.234	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-22.6	175.7	-29.8	35.7	0	0	0	115	W621 L622 A672	P619-W621 VanDerWaalsContact C-N 3.32Å; P619-W621 PolarHBondContact O-N 3.08Å; P619-L622 PolarHBondContact O-N 3.23Å; P619-A672 HydrophobicContact CB-CB 4.18Å; P619-A672 HydrophobicContact CG-CB 3.74Å
620	S	76	Confident	86.2	Confident	66 Å²	66	21.5 Å²	21.5	46%	0.462	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-33.3	172.8	74.8	0	0	0	0	113.5	E618 G623	E618-S620 PolarHBondContact O-N 3.25Å; E618-S620 WeakPolarHBondContact OE2-CB 3.26Å; E618-S620 PolarHBondContact OE2-OG 3.08Å; S620-G623 PolarHBondContact O-N 3.15Å
621	W	77	Confident	85.9	Confident	34 Å²	34	21.5 Å²	21.5	13%	0.129	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.3	179.1	-69.3	107.7	0	0	0	113.5	R243 M245 L480 I560 L617 E618 P619 G623	R243-W621 VanDerWaalsContact NH1-CZ2 3.33Å; M245-W621 HydrophobicContact CE-CH2 4.41Å; M245-W621 HydrophobicContact CE-CZ3 3.71Å; L480-W621 HydrophobicContact CB-CZ2 4.17Å; L480-W621 HydrophobicContact CD1-CH2 3.88Å; L480-W621 HydrophobicContact CD1-CZ2 3.65Å; L480-W621 HydrophobicContact CD2-CH2 4.29Å; L480-W621 HydrophobicContact CG-CH2 4.49Å; L480-W621 HydrophobicContact CG-CZ2 4.33Å; I560-W621 HydrophobicContact CD1-CD2 4.15Å; I560-W621 HydrophobicContact CD1-CH2 4.48Å; I560-W621 HydrophobicContact CD1-CZ2 3.8Å; I560-W621 HydrophobicContact CG1-CD2 4.26Å; I560-W621 HydrophobicContact CG1-CG 4.47Å; L617-W621 HydrophobicContact CB-CB 4.24Å; L617-W621 HydrophobicContact CD2-CB 3.95Å; L617-W621 HydrophobicContact CD2-CG 4.28Å; L617-W621 HydrophobicContact CG-CB 4.47Å; E618-W621 WeakPolarHBondContact O-CB 3.26Å; E618-W621 PolarHBondContact O-N 3.47Å; P619-W621 VanDerWaalsContact C-N 3.32Å; P619-W621 PolarHBondContact O-N 3.08Å; W621-G623 PolarHBondContact O-N 2.88Å
622	L	77.7	Confident	85.8	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	2.4	169.9	-58.4	177.3	0	0	0	112.1	N192 L194 L617 P619 G627 L630 W664	N192-L622 PolarHBondContact ND2-O 3.35Å; N192-L622 VanDerWaalsContact ND2-O 3.17Å; L194-L622 HydrophobicContact CD1-CB 3.55Å; L194-L622 HydrophobicContact CD1-CD1 3.74Å; L194-L622 HydrophobicContact CD1-CG 4.3Å; L617-L622 HydrophobicContact CB-CD2 4.22Å; L617-L622 HydrophobicContact CB-CG 4.41Å; L617-L622 HydrophobicContact CD1-CD2 3.93Å; P619-L622 PolarHBondContact O-N 3.23Å; L622-G627 WeakPolarHBondContact O-CA 3.43Å; L622-L630 HydrophobicContact CD2-CD2 3.83Å; L622-W664 HydrophobicContact CD1-CH2 4Å; L622-W664 HydrophobicContact CD1-CZ2 3.77Å; L622-W664 HydrophobicContact CD2-CH2 4.37Å; L622-W664 HydrophobicContact CD2-CZ2 4.28Å
623	G	73.4	Confident	85.7	Confident	28 Å²	28	19.7 Å²	19.7	29%	0.289	12%	0.123	S	C	.	.	S	Bend	trans	-89.6	168.5	167.6	0	0	0	0	0	114	S620 W621	S620-G623 PolarHBondContact O-N 3.15Å; W621-G623 PolarHBondContact O-N 2.88Å
624	G	79.5	Confident	85.6	Confident	45 Å²	45	21.4 Å²	21.4	46%	0.464	13%	0.129	S	C	.	.	H	α-helix	trans	61	-153.5	179.2	0	0	0	0	0	114.5	F195 G626 Y628	F195-G624 VanDerWaalsContact CZ-N 3.28Å; G624-G626 PolarHBondContact O-N 3.04Å; G624-Y628 PolarHBondContact O-N 3.28Å; G624-Y628 VanDerWaalsContact O-N 3.13Å
625	E	83.6	Confident	85.5	Confident	79 Å²	79	21.5 Å²	21.5	37%	0.369	13%	0.13	S	C	.	.	H	α-helix	trans	-64.3	-36.6	-174.9	-167.9	-178.3	-146.2	0	0	113.2	L567 K571 Y628 Y629	L567-E625 HydrophobicContact CD2-CB 4.4Å; L567-E625 HydrophobicContact CD2-CG 3.77Å; K571-E625 VanDerWaalsContact CE-OE1 3.23Å; K571-E625 WeakPolarHBondContact CE-OE1 3.25Å; K571-E625 WeakPolarHBondContact CE-OE2 3.42Å; K571-E625 IonicContact NZ-OE1 3.17Å; K571-E625 PolarHBondContact NZ-OE1 3.02Å; K571-E625 IonicContact NZ-OE2 2.7Å; K571-E625 PolarHBondContact NZ-OE2 3.16Å; E625-Y628 WeakPolarHBondContact O-CB 3.4Å; E625-Y628 PolarHBondContact O-N 3.25Å; E625-Y629 HydrophobicContact CG-CD2 3.72Å; E625-Y629 HydrophobicContact CG-CE2 3.45Å; E625-Y629 VanDerWaalsContact CG-CE2 3.45Å; E625-Y629 VanDerWaalsContact O-CD2 3.27Å; E625-Y629 WeakPolarHBondContact O-CD2 3.49Å; E625-Y629 PolarHBondContact O-N 2.97Å; E625-Y629 VanDerWaalsContact O-N 3.15Å
626	G	83.6	Confident	85.5	Confident	12 Å²	12	21.4 Å²	21.4	12%	0.124	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-54.3	-179.5	0	0	0	0	0	112.4	G624 Y628 Y629 L630	G624-G626 PolarHBondContact O-N 3.04Å; G626-Y628 VanDerWaalsContact C-N 3.28Å; G626-Y628 PolarHBondContact O-N 3.31Å; G626-Y629 PolarHBondContact O-N 3.24Å; G626-L630 WeakPolarHBondContact O-CB 3.25Å; G626-L630 PolarHBondContact O-N 3.41Å; G626-L630 VanDerWaalsContact O-N 3.09Å
627	G	85.3	Confident	85.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-29.4	175.3	0	0	0	0	0	113.8	N192 L622 T631	N192-G627 PolarHBondContact ND2-O 3.44Å; L622-G627 WeakPolarHBondContact O-CA 3.43Å; G627-T631 PolarHBondContact O-N 2.79Å; G627-T631 PolarHBondContact O-OG1 3.41Å; G627-T631 VanDerWaalsContact O-OG1 3.05Å
628	Y	85.3	Confident	85.3	Confident	34 Å²	34	22 Å²	22	13%	0.133	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-61.5	172.9	-176.7	-78.2	0	0	0	111.1	F190 W587 G624 E625 G626 L630 T631 S632	F190-Y628 HydrophobicContact CD1-CD2 4.41Å; F190-Y628 AromaticContact CD1-CE2 3.75Å; F190-Y628 HydrophobicContact CD1-CE2 3.75Å; F190-Y628 AromaticContact CD1-CZ 3.91Å; F190-Y628 HydrophobicContact CE1-CE2 4.46Å; F190-Y628 WeakPolarHBondContact O-CE2 3.23Å; W587-Y628 HydrophobicContact CD2-CE1 4.32Å; W587-Y628 AromaticContact CD2-CZ 3.85Å; W587-Y628 AromaticContact CE2-CZ 3.66Å; W587-Y628 AromaticContact CE3-CE1 3.93Å; W587-Y628 HydrophobicContact CE3-CE1 3.93Å; W587-Y628 AromaticContact CE3-CZ 3.83Å; W587-Y628 AromaticContact CH2-CD1 3.8Å; W587-Y628 HydrophobicContact CH2-CD1 3.8Å; W587-Y628 AromaticContact CH2-CE1 3.1Å; W587-Y628 HydrophobicContact CH2-CE1 3.1Å; W587-Y628 AromaticContact CH2-CZ 3.61Å; W587-Y628 HydrophobicContact CZ2-CD1 4.13Å; W587-Y628 AromaticContact CZ2-CE1 3.5Å; W587-Y628 HydrophobicContact CZ2-CE1 3.5Å; W587-Y628 VanDerWaalsContact CZ2-CE1 3.5Å; W587-Y628 HydrophobicContact CZ2-CE2 4.17Å; W587-Y628 AromaticContact CZ2-CZ 3.55Å; W587-Y628 HydrophobicContact CZ3-CD1 4.36Å; W587-Y628 AromaticContact CZ3-CE1 3.32Å; W587-Y628 HydrophobicContact CZ3-CE1 3.32Å; W587-Y628 AromaticContact CZ3-CZ 3.72Å; G624-Y628 PolarHBondContact O-N 3.28Å; G624-Y628 VanDerWaalsContact O-N 3.13Å; E625-Y628 WeakPolarHBondContact O-CB 3.4Å; E625-Y628 PolarHBondContact O-N 3.25Å; G626-Y628 VanDerWaalsContact C-N 3.28Å; G626-Y628 PolarHBondContact O-N 3.31Å; Y628-L630 VanDerWaalsContact C-N 3.33Å; Y628-L630 PolarHBondContact O-N 3.39Å; Y628-T631 PolarHBondContact O-N 2.98Å; Y628-S632 WeakPolarHBondContact CE1-OG 3.5Å; Y628-S632 PolarHBondContact O-N 3.19Å; Y628-S632 PolarHBondContact O-OG 3.22Å
629	Y	90.3	Very high	85.5	Confident	22 Å²	22	20.2 Å²	20.2	9%	0.086	13%	0.126	C	C	.	.	H	α-helix	trans	-69.5	-30.2	-173.7	-73.7	-66.8	0	0	0	113.1	L567 C570 H574 W587 F590 E625 G626 T631 S632 V633	L567-Y629 HydrophobicContact CD2-CD2 3.53Å; L567-Y629 HydrophobicContact CD2-CE2 4.12Å; L567-Y629 HydrophobicContact CD2-CG 4.47Å; C570-Y629 HydrophobicContact CB-CD1 3.32Å; C570-Y629 HydrophobicContact CB-CD2 4.35Å; C570-Y629 HydrophobicContact CB-CE1 3.65Å; C570-Y629 HydrophobicContact CB-CG 3.69Å; H574-Y629 AromaticContact CD2-CE1 3.77Å; H574-Y629 AromaticContact CD2-CZ 3.87Å; H574-Y629 PolarHBondContact CD2-OH 3.05Å; H574-Y629 AromaticContact NE2-CE1 3.47Å; H574-Y629 WeakPolarHBondContact NE2-CE1 3.49Å; H574-Y629 AromaticContact NE2-CZ 3.75Å; H574-Y629 PolarHBondContact NE2-OH 3.38Å; H574-Y629 VanDerWaalsContact NE2-OH 3.15Å; W587-Y629 AromaticContact CH2-CE1 3.92Å; W587-Y629 HydrophobicContact CH2-CE1 3.92Å; W587-Y629 HydrophobicContact CZ3-CE1 4.36Å; F590-Y629 HydrophobicContact CE1-CD1 4.21Å; F590-Y629 HydrophobicContact CE1-CE1 4.22Å; F590-Y629 HydrophobicContact CE2-CE1 4.41Å; F590-Y629 HydrophobicContact CZ-CD1 4.01Å; F590-Y629 AromaticContact CZ-CE1 3.87Å; F590-Y629 HydrophobicContact CZ-CE1 3.87Å; E625-Y629 HydrophobicContact CG-CD2 3.72Å; E625-Y629 HydrophobicContact CG-CE2 3.45Å; E625-Y629 VanDerWaalsContact CG-CE2 3.45Å; E625-Y629 VanDerWaalsContact O-CD2 3.27Å; E625-Y629 WeakPolarHBondContact O-CD2 3.49Å; E625-Y629 PolarHBondContact O-N 2.97Å; E625-Y629 VanDerWaalsContact O-N 3.15Å; G626-Y629 PolarHBondContact O-N 3.24Å; Y629-T631 VanDerWaalsContact C-N 3.3Å; Y629-T631 PolarHBondContact O-N 3.38Å; Y629-S632 WeakPolarHBondContact O-CB 3.32Å; Y629-S632 PolarHBondContact O-N 2.88Å; Y629-V633 WeakPolarHBondContact O-CG2 3.5Å; Y629-V633 PolarHBondContact O-N 2.86Å
630	L	92.3	Very high	85.9	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.3	-46	172.8	179.5	58.8	0	0	0	111.1	V563 L566 V610 M613 M614 L617 L622 G626 Y628 V633 Y634	V563-L630 HydrophobicContact CG2-CD2 4.3Å; L566-L630 HydrophobicContact CD2-CB 4.13Å; L566-L630 HydrophobicContact CD2-CD1 3.74Å; V610-L630 HydrophobicContact CG1-CD1 4.16Å; V610-L630 HydrophobicContact CG2-CD1 4.48Å; M613-L630 HydrophobicContact CB-CD1 3.81Å; M613-L630 HydrophobicContact CB-CD2 3.95Å; M613-L630 HydrophobicContact CE-CD1 3.83Å; M613-L630 HydrophobicContact SD-CD1 4.07Å; M614-L630 HydrophobicContact CG-CD1 3.98Å; M614-L630 HydrophobicContact CG-CD2 3.62Å; M614-L630 HydrophobicContact CG-CG 3.63Å; M614-L630 HydrophobicContact SD-CG 4.33Å; L617-L630 HydrophobicContact CD1-CD2 4.02Å; L622-L630 HydrophobicContact CD2-CD2 3.83Å; G626-L630 WeakPolarHBondContact O-CB 3.25Å; G626-L630 PolarHBondContact O-N 3.41Å; G626-L630 VanDerWaalsContact O-N 3.09Å; Y628-L630 VanDerWaalsContact C-N 3.33Å; Y628-L630 PolarHBondContact O-N 3.39Å; L630-V633 PolarHBondContact O-N 3.47Å; L630-Y634 PolarHBondContact O-N 3.05Å; L630-Y634 VanDerWaalsContact O-N 3.09Å
631	T	89.1	Confident	86.4	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-76.2	-25.1	178.2	-40.7	0	0	0	0	113	F190 G627 Y628 Y629 A635 L661 W664	F190-T631 HydrophobicContact CE1-CG2 4.14Å; F190-T631 HydrophobicContact CE2-CG2 4.16Å; F190-T631 HydrophobicContact CZ-CG2 3.39Å; G627-T631 PolarHBondContact O-N 2.79Å; G627-T631 PolarHBondContact O-OG1 3.41Å; G627-T631 VanDerWaalsContact O-OG1 3.05Å; Y628-T631 PolarHBondContact O-N 2.98Å; Y629-T631 VanDerWaalsContact C-N 3.3Å; Y629-T631 PolarHBondContact O-N 3.38Å; T631-A635 WeakPolarHBondContact O-CB 3.28Å; T631-A635 PolarHBondContact O-N 2.93Å; T631-L661 HydrophobicContact CG2-CD2 3.22Å; T631-W664 HydrophobicContact CG2-CZ3 4.45Å
632	S	89.6	Confident	86.5	Confident	4 Å²	4	17.1 Å²	17.1	3%	0.028	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-45	167.9	-47.1	0	0	0	0	112.3	L591 Y628 Y629 A635 S636	L591-S632 WeakPolarHBondContact CD1-O 3.27Å; Y628-S632 WeakPolarHBondContact CE1-OG 3.5Å; Y628-S632 PolarHBondContact O-N 3.19Å; Y628-S632 PolarHBondContact O-OG 3.22Å; Y629-S632 WeakPolarHBondContact O-CB 3.32Å; Y629-S632 PolarHBondContact O-N 2.88Å; S632-A635 PolarHBondContact O-N 3.13Å; S632-S636 PolarHBondContact O-N 2.96Å; S632-S636 PolarHBondContact O-OG 2.76Å
633	V	93.3	Very high	86.3	Confident	3 Å²	3	18.4 Å²	18.4	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-66.5	-39.8	178.7	176.2	0	0	0	0	110.7	L566 L594 I598 L606 V610 Y629 L630 S636 L637	L566-V633 HydrophobicContact CD1-CG1 4.34Å; L566-V633 HydrophobicContact CD1-CG2 4.02Å; L566-V633 HydrophobicContact CD2-CB 4.43Å; L566-V633 HydrophobicContact CD2-CG2 4.14Å; L566-V633 HydrophobicContact CG-CG2 4.16Å; L594-V633 HydrophobicContact CD1-CG2 4.24Å; L594-V633 HydrophobicContact CD2-CG2 3.8Å; L594-V633 HydrophobicContact CG-CG2 4.49Å; I598-V633 HydrophobicContact CD1-CG1 4.05Å; L606-V633 HydrophobicContact CD2-CG1 4.11Å; L606-V633 HydrophobicContact CG-CG1 4.34Å; V610-V633 HydrophobicContact CG2-CB 4.49Å; V610-V633 HydrophobicContact CG2-CG1 3.76Å; Y629-V633 WeakPolarHBondContact O-CG2 3.5Å; Y629-V633 PolarHBondContact O-N 2.86Å; L630-V633 PolarHBondContact O-N 3.47Å; V633-S636 PolarHBondContact O-N 2.94Å; V633-L637 HydrophobicContact CG1-CD1 4.27Å; V633-L637 WeakPolarHBondContact O-CG 3.35Å; V633-L637 PolarHBondContact O-N 2.83Å
634	Y	92.3	Very high	85.7	Confident	36 Å²	36	25 Å²	25	14%	0.141	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-47	171.1	-175	-107.2	0	0	0	112	V610 M614 L630 S636 L637 C638 L661	V610-Y634 HydrophobicContact CG1-CD2 3.8Å; V610-Y634 HydrophobicContact CG1-CG 4.24Å; M614-Y634 HydrophobicContact CE-CD1 3.83Å; M614-Y634 HydrophobicContact CE-CD2 3.92Å; M614-Y634 HydrophobicContact CE-CE1 4.15Å; M614-Y634 HydrophobicContact CE-CE2 4.24Å; M614-Y634 HydrophobicContact CE-CG 3.7Å; M614-Y634 HydrophobicContact SD-CD1 4.42Å; M614-Y634 HydrophobicContact SD-CD2 3.72Å; M614-Y634 HydrophobicContact SD-CE2 4.45Å; M614-Y634 HydrophobicContact SD-CG 3.69Å; L630-Y634 PolarHBondContact O-N 3.05Å; L630-Y634 VanDerWaalsContact O-N 3.09Å; Y634-S636 VanDerWaalsContact C-N 3.34Å; Y634-S636 PolarHBondContact O-N 3.43Å; Y634-L637 PolarHBondContact O-N 2.83Å; Y634-L637 VanDerWaalsContact O-N 3.15Å; Y634-C638 PolarHBondContact O-N 3.44Å; Y634-C638 PolarHBondContact O-SG 3.05Å; Y634-C638 VanDerWaalsContact O-SG 3.33Å; Y634-L661 HydrophobicContact CD1-CD2 3.69Å; Y634-L661 HydrophobicContact CD1-CG 4.38Å; Y634-L661 HydrophobicContact CE1-CD2 4.12Å; Y634-L661 HydrophobicContact CE1-CG 4.45Å
635	A	89.2	Confident	84.5	Confident	3 Å²	3	30.5 Å²	30.5	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-41.1	176.2	0	0	0	0	0	112.3	L591 T631 S632 C638 L639 L653 V657 L661	L591-A635 HydrophobicContact CD1-CB 4.34Å; T631-A635 WeakPolarHBondContact O-CB 3.28Å; T631-A635 PolarHBondContact O-N 2.93Å; S632-A635 PolarHBondContact O-N 3.13Å; A635-C638 PolarHBondContact O-N 3.04Å; A635-L639 WeakPolarHBondContact O-CB 3.42Å; A635-L639 VanDerWaalsContact O-CG 3.27Å; A635-L639 WeakPolarHBondContact O-CG 3.3Å; A635-L639 PolarHBondContact O-N 2.92Å; A635-L653 HydrophobicContact CB-CD2 4.41Å; A635-V657 HydrophobicContact CB-CG1 4.43Å; A635-L661 HydrophobicContact CB-CD1 4.33Å
636	S	91.1	Very high	82.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-41.8	172.6	-74.8	0	0	0	0	113.2	L591 S595 S632 V633 Y634 L639 I640	L591-S636 WeakPolarHBondContact CD1-OG 3.37Å; S595-S636 WeakPolarHBondContact OG-CB 3.39Å; S595-S636 PolarHBondContact OG-OG 3.21Å; S632-S636 PolarHBondContact O-N 2.96Å; S632-S636 PolarHBondContact O-OG 2.76Å; V633-S636 PolarHBondContact O-N 2.94Å; Y634-S636 VanDerWaalsContact C-N 3.34Å; Y634-S636 PolarHBondContact O-N 3.43Å; S636-L639 PolarHBondContact O-N 3.11Å; S636-I640 WeakPolarHBondContact O-CD1 3.05Å; S636-I640 VanDerWaalsContact O-CG1 3.24Å; S636-I640 WeakPolarHBondContact O-CG1 3.22Å; S636-I640 PolarHBondContact O-N 2.84Å
637	L	92	Very high	81.5	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-47.1	176.7	-72.3	162.9	0	0	0	111.7	L515 I598 L606 L607 V610 V633 Y634 L639 I640 Q641	L515-L637 HydrophobicContact CD1-CD2 4.32Å; L515-L637 HydrophobicContact CD2-CD2 4.03Å; I598-L637 HydrophobicContact CG2-CD2 4.17Å; L606-L637 HydrophobicContact CB-CD2 4.46Å; L606-L637 HydrophobicContact CD2-CD2 4.45Å; L606-L637 HydrophobicContact CG-CD1 4.3Å; L606-L637 HydrophobicContact CG-CD2 4.42Å; L607-L637 HydrophobicContact CD1-CD1 4.38Å; V610-L637 HydrophobicContact CB-CD1 4.1Å; V610-L637 HydrophobicContact CG1-CD1 4.34Å; V610-L637 HydrophobicContact CG2-CD1 3.91Å; V633-L637 HydrophobicContact CG1-CD1 4.27Å; V633-L637 WeakPolarHBondContact O-CG 3.35Å; V633-L637 PolarHBondContact O-N 2.83Å; Y634-L637 PolarHBondContact O-N 2.83Å; Y634-L637 VanDerWaalsContact O-N 3.15Å; L637-L639 VanDerWaalsContact C-N 3.32Å; L637-L639 PolarHBondContact O-N 2.93Å; L637-I640 PolarHBondContact O-N 2.93Å; L637-Q641 WeakPolarHBondContact O-CG 3.24Å; L637-Q641 PolarHBondContact O-N 3.46Å
638	C	87.6	Confident	80	Confident	13 Å²	13	44.6 Å²	44.6	9%	0.088	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-32.6	178.2	-58.8	0	0	0	0	111.9	Y634 A635 Q641 S642 V657	Y634-C638 PolarHBondContact O-N 3.44Å; Y634-C638 PolarHBondContact O-SG 3.05Å; Y634-C638 VanDerWaalsContact O-SG 3.33Å; A635-C638 PolarHBondContact O-N 3.04Å; C638-Q641 PolarHBondContact O-N 2.86Å; C638-S642 WeakPolarHBondContact O-CB 3.16Å; C638-S642 PolarHBondContact O-N 3.11Å; C638-S642 PolarHBondContact O-OG 2.88Å; C638-S642 VanDerWaalsContact O-OG 3.06Å; C638-V657 HydrophobicContact CB-CB 4.37Å; C638-V657 HydrophobicContact CB-CG1 4.06Å; C638-V657 HydrophobicContact CB-CG2 3.72Å
639	L	86.4	Confident	78.9	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-50.7	168.5	-79.8	172.6	0	0	0	111.1	L591 A635 S636 L637 Q641 S642 L643 F649 L653 V657	L591-L639 HydrophobicContact CD2-CD1 3.84Å; L591-L639 HydrophobicContact CG-CD1 4.24Å; A635-L639 WeakPolarHBondContact O-CB 3.42Å; A635-L639 VanDerWaalsContact O-CG 3.27Å; A635-L639 WeakPolarHBondContact O-CG 3.3Å; A635-L639 PolarHBondContact O-N 2.92Å; S636-L639 PolarHBondContact O-N 3.11Å; L637-L639 VanDerWaalsContact C-N 3.32Å; L637-L639 PolarHBondContact O-N 2.93Å; L639-Q641 VanDerWaalsContact C-N 3.25Å; L639-Q641 PolarHBondContact O-N 2.88Å; L639-S642 PolarHBondContact O-N 2.87Å; L639-S642 VanDerWaalsContact O-N 3.13Å; L639-S642 PolarHBondContact O-OG 3.4Å; L639-L643 WeakPolarHBondContact O-CG 3.32Å; L639-L643 PolarHBondContact O-N 2.79Å; L639-L643 VanDerWaalsContact O-N 3.12Å; L639-F649 HydrophobicContact CD1-CE2 4.17Å; L639-F649 HydrophobicContact CD1-CZ 4.44Å; L639-F649 HydrophobicContact CD2-CD2 4.45Å; L639-F649 HydrophobicContact CD2-CE2 3.83Å; L639-L653 HydrophobicContact CD1-CD2 3.94Å; L639-L653 HydrophobicContact CD2-CD2 4.2Å; L639-L653 HydrophobicContact CG-CD2 4.13Å; L639-V657 HydrophobicContact CD2-CG2 4.31Å; L639-V657 HydrophobicContact CG-CG2 4.43Å
640	I	89.2	Confident	77.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-35.4	177.8	-68.9	162.2	0	0	0	111.7	L515 N518 L519 L522 I598 V599 S636 L637	L515-I640 HydrophobicContact CD1-CB 4.33Å; L515-I640 HydrophobicContact CD1-CG2 3.64Å; N518-I640 HydrophobicContact CB-CG2 4.15Å; N518-I640 WeakPolarHBondContact CB-O 3.02Å; N518-I640 PolarHBondContact ND2-O 3.09Å; L519-I640 HydrophobicContact CD2-CD1 4.22Å; L519-I640 HydrophobicContact CD2-CG2 4.03Å; L519-I640 HydrophobicContact CG-CG2 4.22Å; L522-I640 HydrophobicContact CD1-CG1 4.45Å; L522-I640 HydrophobicContact CD1-CG2 4.14Å; I598-I640 HydrophobicContact CB-CD1 4.12Å; I598-I640 HydrophobicContact CG2-CD1 3.68Å; V599-I640 HydrophobicContact CG2-CD1 3.84Å; V599-I640 HydrophobicContact CG2-CG1 4.09Å; S636-I640 WeakPolarHBondContact O-CD1 3.05Å; S636-I640 VanDerWaalsContact O-CG1 3.24Å; S636-I640 WeakPolarHBondContact O-CG1 3.22Å; S636-I640 PolarHBondContact O-N 2.84Å; L637-I640 PolarHBondContact O-N 2.93Å
641	Q	87.5	Confident	75.5	Confident	46 Å²	46	51.1 Å²	51.1	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-71.3	-43	173.5	-71	172.1	-48.6	0	0	112.6	L515 N518 L637 C638 L639 L643	L515-Q641 HydrophobicContact CB-CG 4.21Å; L515-Q641 HydrophobicContact CD1-CG 4.2Å; N518-Q641 PolarHBondContact ND2-O 3.14Å; N518-Q641 VanDerWaalsContact ND2-O 3.15Å; L637-Q641 WeakPolarHBondContact O-CG 3.24Å; L637-Q641 PolarHBondContact O-N 3.46Å; C638-Q641 PolarHBondContact O-N 2.86Å; L639-Q641 VanDerWaalsContact C-N 3.25Å; L639-Q641 PolarHBondContact O-N 2.88Å; Q641-L643 VanDerWaalsContact C-N 3.32Å; Q641-L643 PolarHBondContact O-N 3.2Å
642	S	79.3	Confident	74	Confident	25 Å²	25	54.2 Å²	54.2	18%	0.175	30%	0.299	C	S	.	.	H	α-helix	trans	-80.1	-1.6	-176.4	69.1	0	0	0	0	115.8	C638 L639 E644 T654	C638-S642 WeakPolarHBondContact O-CB 3.16Å; C638-S642 PolarHBondContact O-N 3.11Å; C638-S642 PolarHBondContact O-OG 2.88Å; C638-S642 VanDerWaalsContact O-OG 3.06Å; L639-S642 PolarHBondContact O-N 2.87Å; L639-S642 VanDerWaalsContact O-N 3.13Å; L639-S642 PolarHBondContact O-OG 3.4Å; S642-E644 PolarHBondContact O-N 2.96Å; S642-T654 PolarHBondContact OG-OG1 3.13Å
643	L	73	Confident	72.8	Confident	27 Å²	27	54.8 Å²	54.8	14%	0.141	30%	0.302	C	S	.	.			trans	-75.6	87.2	175.4	-81.5	164.5	0	0	0	111.1	R521 L522 L531 L639 Q641	R521-L643 PolarHBondContact NH2-O 3.34Å; L522-L643 HydrophobicContact CD1-CD1 3.83Å; L522-L643 HydrophobicContact CD2-CD1 4.28Å; L531-L643 HydrophobicContact CD2-CD1 3.77Å; L639-L643 WeakPolarHBondContact O-CG 3.32Å; L639-L643 PolarHBondContact O-N 2.79Å; L639-L643 VanDerWaalsContact O-N 3.12Å; Q641-L643 VanDerWaalsContact C-N 3.32Å; Q641-L643 PolarHBondContact O-N 3.2Å
644	E	60.9	Low	71.7	Confident	168 Å²	168	56.8 Å²	56.8	79%	0.785	31%	0.314	S	S	*	.			trans	-79.8	174.9	161.3	-63.9	-172.1	142.2	0	0	110.9	S642	S642-E644 PolarHBondContact O-N 2.96Å
645	Q	52.9	Low	70.7	Confident	159 Å²	159	59.9 Å²	59.9	74%	0.743	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	141.2	-155.4	-74.8	177.1	-105.4	0	0	116.6	Q647	Q645-Q647 VanDerWaalsContact C-N 3.27Å; Q645-Q647 PolarHBondContact O-N 2.95Å
646	D	50.8	Low	70	Confident	143 Å²	143	65.6 Å²	65.6	77%	0.765	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	11.1	156.8	-57.3	-27.6	0	0	0	119.7
647	Q	53.6	Low	69.1	Low	154 Å²	154	65.7 Å²	65.7	72%	0.72	37%	0.365	S	S	*	.			trans	-90.3	127.8	163.3	-66.6	-161.6	1.2	0	0	111.9	Q645	Q645-Q647 VanDerWaalsContact C-N 3.27Å; Q645-Q647 PolarHBondContact O-N 2.95Å
648	P	54.9	Low	68.3	Low	90 Å²	90	69.1 Å²	69.1	58%	0.584	38%	0.381	S	S	*	.			trans	-70.8	149.4	172.9	30.5	-34.6	0	0	0	111	S650	P648-S650 PolarHBondContact O-N 2.88Å
649	F	60.8	Low	67.9	Low	46 Å²	46	75 Å²	75	20%	0.202	41%	0.407	C	S	.	.			trans	-59.5	110.3	-178.4	179.1	-113.2	0	0	0	112.7	R530 L531 P592 L639 G651 C652	R530-F649 VanDerWaalsContact O-CB 3.28Å; R530-F649 WeakPolarHBondContact O-CB 3.34Å; R530-F649 PolarHBondContact O-N 3.49Å; L531-F649 WeakPolarHBondContact O-CD1 3.26Å; P592-F649 HydrophobicContact CG-CD1 4.36Å; P592-F649 HydrophobicContact CG-CE1 4Å; L639-F649 HydrophobicContact CD1-CE2 4.17Å; L639-F649 HydrophobicContact CD1-CZ 4.44Å; L639-F649 HydrophobicContact CD2-CD2 4.45Å; L639-F649 HydrophobicContact CD2-CE2 3.83Å; F649-G651 PolarHBondContact O-N 2.96Å; F649-C652 WeakPolarHBondContact CE2-O 3.24Å
650	S	55.4	Low	67.5	Low	107 Å²	107	75.9 Å²	75.9	75%	0.748	42%	0.416	S	S	*	.			trans	-69	17.4	-177.4	-64.2	0	0	0	0	115.7	P648 C652	P648-S650 PolarHBondContact O-N 2.88Å; S650-C652 PolarHBondContact O-N 3.22Å
651	G	56.1	Low	67	Low	40 Å²	40	76.5 Å²	76.5	41%	0.412	42%	0.419	S	S	.	.	S	Bend	trans	68	12.9	-179.3	0	0	0	0	0	115	V188 F649	V188-G651 WeakPolarHBondContact CG2-O 3.33Å; F649-G651 PolarHBondContact O-N 2.96Å
652	C	57.8	Low	66.5	Low	65 Å²	65	80 Å²	80	44%	0.439	43%	0.434	S	S	.	.	S	Bend	trans	-140.6	145.7	-175.1	-169.1	0	0	0	0	110.8	F649 S650 T654	F649-C652 WeakPolarHBondContact CE2-O 3.24Å; S650-C652 PolarHBondContact O-N 3.22Å; C652-T654 PolarHBondContact O-N 3.03Å
653	L	64.8	Low	66.5	Low	17 Å²	17	84 Å²	84	9%	0.089	45%	0.45	C	S	.	.			trans	-63.6	130.1	174.6	-65.4	177.8	0	0	0	110.6	L591 A635 L639 V657 Q658 L661	L591-L653 HydrophobicContact CD2-CD2 3.66Å; A635-L653 HydrophobicContact CB-CD2 4.41Å; L639-L653 HydrophobicContact CD1-CD2 3.94Å; L639-L653 HydrophobicContact CD2-CD2 4.2Å; L639-L653 HydrophobicContact CG-CD2 4.13Å; L653-V657 HydrophobicContact CD2-CG1 4.03Å; L653-Q658 HydrophobicContact CB-CG 3.76Å; L653-Q658 HydrophobicContact CD1-CG 4.45Å; L653-Q658 PolarHBondContact O-NE2 2.92Å; L653-L661 HydrophobicContact CD1-CD1 4.08Å
654	T	69.8	Low	67	Low	44 Å²	44	82.9 Å²	82.9	27%	0.27	44%	0.444	S	S	.	.			trans	-58.8	149.9	173.4	59.3	0	0	0	0	110.5	S642 C652 Q656 V657 Q658	S642-T654 PolarHBondContact OG-OG1 3.13Å; C652-T654 PolarHBondContact O-N 3.03Å; T654-Q656 PolarHBondContact O-N 2.88Å; T654-V657 PolarHBondContact O-N 2.97Å; T654-V657 VanDerWaalsContact O-N 3.08Å; T654-V657 WeakPolarHBondContact OG1-CG2 3.44Å; T654-Q658 PolarHBondContact O-N 3.45Å; T654-Q658 VanDerWaalsContact O-N 3.08Å
655	P	71.8	Confident	67.9	Low	102 Å²	102	75.1 Å²	75.1	66%	0.662	41%	0.408	S	S	*	.	H	α-helix	trans	-59.2	-35.6	-176.1	22.1	-33	0	0	0	112.4	Q658 E659	P655-Q658 WeakPolarHBondContact O-CB 3.44Å; P655-Q658 PolarHBondContact O-N 3.11Å; P655-E659 WeakPolarHBondContact O-CB 3.42Å; P655-E659 PolarHBondContact O-N 2.68Å
656	Q	74.6	Confident	69.1	Low	123 Å²	123	71.4 Å²	71.4	58%	0.575	40%	0.399	S	S	*	.	H	α-helix	trans	-58.1	-47.1	173.8	-65.8	169.3	-12.4	0	0	112.3	T654 Q658 E659 A660	T654-Q656 PolarHBondContact O-N 2.88Å; Q656-Q658 VanDerWaalsContact C-N 3.34Å; Q656-Q658 PolarHBondContact O-N 3.39Å; Q656-E659 PolarHBondContact O-N 3.38Å; Q656-E659 VanDerWaalsContact O-N 3.15Å; Q656-A660 PolarHBondContact O-N 3.37Å
657	V	71.7	Confident	70.5	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.012	37%	0.373	C	S	.	.	H	α-helix	trans	-64.3	-40.8	177.3	175.9	0	0	0	0	110.7	A635 C638 L639 L653 T654 E659 L661	A635-V657 HydrophobicContact CB-CG1 4.43Å; C638-V657 HydrophobicContact CB-CB 4.37Å; C638-V657 HydrophobicContact CB-CG1 4.06Å; C638-V657 HydrophobicContact CB-CG2 3.72Å; L639-V657 HydrophobicContact CD2-CG2 4.31Å; L639-V657 HydrophobicContact CG-CG2 4.43Å; L653-V657 HydrophobicContact CD2-CG1 4.03Å; T654-V657 PolarHBondContact O-N 2.97Å; T654-V657 VanDerWaalsContact O-N 3.08Å; T654-V657 WeakPolarHBondContact OG1-CG2 3.44Å; V657-E659 VanDerWaalsContact C-N 3.28Å; V657-E659 PolarHBondContact O-N 2.97Å; V657-L661 HydrophobicContact CG1-CD1 3.95Å; V657-L661 WeakPolarHBondContact O-CB 2.96Å; V657-L661 WeakPolarHBondContact O-CD1 3.42Å; V657-L661 WeakPolarHBondContact O-CG 3.21Å; V657-L661 PolarHBondContact O-N 3.09Å; V657-L661 VanDerWaalsContact O-N 3.11Å
658	Q	74.9	Confident	71.8	Confident	72 Å²	72	60 Å²	60	34%	0.336	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-31.3	174.7	-61.9	-176	32.4	0	0	112.9	L653 T654 P655 Q656 K662	L653-Q658 HydrophobicContact CB-CG 3.76Å; L653-Q658 HydrophobicContact CD1-CG 4.45Å; L653-Q658 PolarHBondContact O-NE2 2.92Å; T654-Q658 PolarHBondContact O-N 3.45Å; T654-Q658 VanDerWaalsContact O-N 3.08Å; P655-Q658 WeakPolarHBondContact O-CB 3.44Å; P655-Q658 PolarHBondContact O-N 3.11Å; Q656-Q658 VanDerWaalsContact C-N 3.34Å; Q656-Q658 PolarHBondContact O-N 3.39Å; Q658-K662 VanDerWaalsContact O-CD 3.24Å; Q658-K662 WeakPolarHBondContact O-CD 3.3Å; Q658-K662 WeakPolarHBondContact O-CE 3.27Å; Q658-K662 WeakPolarHBondContact O-CG 3.13Å; Q658-K662 PolarHBondContact O-N 3.42Å
659	E	79.1	Confident	72.7	Confident	136 Å²	136	56.1 Å²	56.1	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-75.5	-48.2	178.7	-172.6	152.8	-129	0	0	111.8	P655 Q656 V657 L661 K662 E663	P655-E659 WeakPolarHBondContact O-CB 3.42Å; P655-E659 PolarHBondContact O-N 2.68Å; Q656-E659 PolarHBondContact O-N 3.38Å; Q656-E659 VanDerWaalsContact O-N 3.15Å; V657-E659 VanDerWaalsContact C-N 3.28Å; V657-E659 PolarHBondContact O-N 2.97Å; E659-L661 VanDerWaalsContact C-N 3.27Å; E659-L661 PolarHBondContact O-N 2.9Å; E659-K662 WeakPolarHBondContact O-CB 3.21Å; E659-K662 PolarHBondContact O-N 2.98Å; E659-E663 PolarHBondContact O-N 3.1Å
660	A	77.8	Confident	73.5	Confident	28 Å²	28	59.4 Å²	59.4	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-56.1	-41.2	173.5	0	0	0	0	0	112.3	Q656 E663 W664	Q656-A660 PolarHBondContact O-N 3.37Å; A660-E663 PolarHBondContact O-N 3.46Å; A660-W664 WeakPolarHBondContact O-CB 3.32Å; A660-W664 PolarHBondContact O-N 3.4Å
661	L	79.3	Confident	74.3	Confident	12 Å²	12	55.8 Å²	55.8	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-40.5	173.9	-76.9	167.9	0	0	0	113.3	F190 T631 Y634 A635 L653 V657 E659 S665	F190-L661 HydrophobicContact CE2-CD1 4.25Å; F190-L661 HydrophobicContact CE2-CD2 4.37Å; T631-L661 HydrophobicContact CG2-CD2 3.22Å; Y634-L661 HydrophobicContact CD1-CD2 3.69Å; Y634-L661 HydrophobicContact CD1-CG 4.38Å; Y634-L661 HydrophobicContact CE1-CD2 4.12Å; Y634-L661 HydrophobicContact CE1-CG 4.45Å; A635-L661 HydrophobicContact CB-CD1 4.33Å; L653-L661 HydrophobicContact CD1-CD1 4.08Å; V657-L661 HydrophobicContact CG1-CD1 3.95Å; V657-L661 WeakPolarHBondContact O-CB 2.96Å; V657-L661 WeakPolarHBondContact O-CD1 3.42Å; V657-L661 WeakPolarHBondContact O-CG 3.21Å; V657-L661 PolarHBondContact O-N 3.09Å; V657-L661 VanDerWaalsContact O-N 3.11Å; E659-L661 VanDerWaalsContact C-N 3.27Å; E659-L661 PolarHBondContact O-N 2.9Å; L661-S665 WeakPolarHBondContact O-CB 3.47Å; L661-S665 PolarHBondContact O-N 3.31Å
662	K	76.5	Confident	75.1	Confident	121 Å²	121	55.2 Å²	55.2	53%	0.526	30%	0.295	S	S	.	.	H	α-helix	trans	-69.7	-45.4	176.3	-71.5	160.3	-164.5	165	0	111	Q658 E659 S665 C666	Q658-K662 VanDerWaalsContact O-CD 3.24Å; Q658-K662 WeakPolarHBondContact O-CD 3.3Å; Q658-K662 WeakPolarHBondContact O-CE 3.27Å; Q658-K662 WeakPolarHBondContact O-CG 3.13Å; Q658-K662 PolarHBondContact O-N 3.42Å; E659-K662 WeakPolarHBondContact O-CB 3.21Å; E659-K662 PolarHBondContact O-N 2.98Å; K662-S665 WeakPolarHBondContact O-CB 3.46Å; K662-S665 PolarHBondContact O-N 2.87Å; K662-C666 WeakPolarHBondContact O-CB 3.43Å; K662-C666 PolarHBondContact O-N 2.87Å; K662-C666 PolarHBondContact O-SG 3.36Å
663	E	80.5	Confident	75.8	Confident	108 Å²	108	55.9 Å²	55.9	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-50.5	-179	-168.3	-135.2	107.4	0	0	111	E659 A660 S665 C666 R667	E659-E663 PolarHBondContact O-N 3.1Å; A660-E663 PolarHBondContact O-N 3.46Å; E663-S665 VanDerWaalsContact C-N 3.34Å; E663-S665 PolarHBondContact O-N 3.34Å; E663-C666 PolarHBondContact O-N 2.84Å; E663-C666 VanDerWaalsContact O-N 3.15Å; E663-R667 PolarHBondContact O-N 2.91Å; E663-R667 IonicContact OE1-CZ 2.64Å; E663-R667 IonicContact OE1-NE 2.74Å; E663-R667 PolarHBondContact OE1-NE 3.1Å; E663-R667 IonicContact OE1-NH2 3.82Å; E663-R667 PolarHBondContact OE1-NH2 3.19Å
664	W	83.8	Confident	76.2	Confident	3 Å²	3	61.9 Å²	61.9	1%	0.011	32%	0.317	C	S	.	.	H	α-helix	trans	-54	-50	173.2	172.5	73.6	0	0	0	111.7	L194 M614 E615 L622 T631 A660 C666 R667 R668	L194-W664 HydrophobicContact CD1-CH2 4.14Å; M614-W664 HydrophobicContact CB-CZ2 3.85Å; M614-W664 HydrophobicContact CE-CD2 3.33Å; M614-W664 HydrophobicContact CE-CE3 3.85Å; M614-W664 HydrophobicContact CE-CG 3.63Å; M614-W664 HydrophobicContact CE-CH2 4.24Å; M614-W664 HydrophobicContact CE-CZ2 3.78Å; M614-W664 HydrophobicContact CE-CZ3 4.27Å; M614-W664 HydrophobicContact CG-CZ2 3.95Å; E615-W664 VanDerWaalsContact OE1-CD1 3.28Å; L622-W664 HydrophobicContact CD1-CH2 4Å; L622-W664 HydrophobicContact CD1-CZ2 3.77Å; L622-W664 HydrophobicContact CD2-CH2 4.37Å; L622-W664 HydrophobicContact CD2-CZ2 4.28Å; T631-W664 HydrophobicContact CG2-CZ3 4.45Å; A660-W664 WeakPolarHBondContact O-CB 3.32Å; A660-W664 PolarHBondContact O-N 3.4Å; W664-C666 VanDerWaalsContact C-N 3.32Å; W664-C666 PolarHBondContact O-N 3.16Å; W664-R667 PolarHBondContact O-N 2.88Å; W664-R668 HydrophobicContact CD2-CG 4.13Å; W664-R668 HydrophobicContact CG-CG 4.33Å; W664-R668 HydrophobicContact CZ2-CG 3.95Å; W664-R668 VanDerWaalsContact NE1-CG 3.33Å; W664-R668 VanDerWaalsContact O-CG 3.27Å; W664-R668 WeakPolarHBondContact O-CG 3.4Å; W664-R668 PolarHBondContact O-N 2.85Å
665	S	79.1	Confident	76.1	Confident	5 Å²	5	61.1 Å²	61.1	4%	0.035	31%	0.31	C	S	.	.	H	α-helix	trans	-57.4	-44.6	177.6	-178.7	0	0	0	0	112.4	P193 L661 K662 E663 R668 T669	P193-S665 WeakPolarHBondContact CB-OG 3.26Å; P193-S665 WeakPolarHBondContact CG-OG 3.36Å; L661-S665 WeakPolarHBondContact O-CB 3.47Å; L661-S665 PolarHBondContact O-N 3.31Å; K662-S665 WeakPolarHBondContact O-CB 3.46Å; K662-S665 PolarHBondContact O-N 2.87Å; E663-S665 VanDerWaalsContact C-N 3.34Å; E663-S665 PolarHBondContact O-N 3.34Å; S665-R668 PolarHBondContact O-N 2.95Å; S665-T669 VanDerWaalsContact O-CB 3.26Å; S665-T669 WeakPolarHBondContact O-CB 3.34Å; S665-T669 PolarHBondContact O-N 2.76Å; S665-T669 PolarHBondContact O-OG1 3.11Å
666	C	77.5	Confident	75.9	Confident	81 Å²	81	61 Å²	61	55%	0.547	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-41.5	179.4	-73.4	0	0	0	0	111.7	K662 E663 W664 T669 L670	K662-C666 WeakPolarHBondContact O-CB 3.43Å; K662-C666 PolarHBondContact O-N 2.87Å; K662-C666 PolarHBondContact O-SG 3.36Å; E663-C666 PolarHBondContact O-N 2.84Å; E663-C666 VanDerWaalsContact O-N 3.15Å; W664-C666 VanDerWaalsContact C-N 3.32Å; W664-C666 PolarHBondContact O-N 3.16Å; C666-T669 WeakPolarHBondContact O-CB 3.27Å; C666-T669 PolarHBondContact O-N 2.79Å; C666-L670 WeakPolarHBondContact O-CB 3.24Å; C666-L670 PolarHBondContact O-N 2.88Å; C666-L670 VanDerWaalsContact O-N 3.08Å
667	R	81.5	Confident	75.5	Confident	58 Å²	58	60.9 Å²	60.9	22%	0.219	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-53	173.1	-71.7	-166.4	-75.7	100.5	-4.4	111.1	E615 E663 W664 T669 L670 E671	E615-R667 IonicContact OE1-CZ 2.79Å; E615-R667 IonicContact OE1-NH1 3.65Å; E615-R667 PolarHBondContact OE1-NH1 3.23Å; E615-R667 IonicContact OE1-NH2 2.69Å; E615-R667 IonicContact OE2-NH1 3.79Å; E663-R667 PolarHBondContact O-N 2.91Å; E663-R667 IonicContact OE1-CZ 2.64Å; E663-R667 IonicContact OE1-NE 2.74Å; E663-R667 PolarHBondContact OE1-NE 3.1Å; E663-R667 IonicContact OE1-NH2 3.82Å; E663-R667 PolarHBondContact OE1-NH2 3.19Å; W664-R667 PolarHBondContact O-N 2.88Å; R667-T669 VanDerWaalsContact C-N 3.32Å; R667-T669 PolarHBondContact O-N 3.02Å; R667-L670 PolarHBondContact O-N 2.85Å; R667-L670 VanDerWaalsContact O-N 3.15Å; R667-E671 WeakPolarHBondContact O-CG 3.48Å; R667-E671 PolarHBondContact O-N 3.07Å
668	R	81.2	Confident	75	Confident	1 Å²	1	63.1 Å²	63.1	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-33.1	-178.8	-61.5	-62.7	-70.2	160.3	-16.4	113.8	M614 E615 L617 W664 S665 E671 A672	M614-R668 VanDerWaalsContact O-CZ 3.27Å; M614-R668 PolarHBondContact O-NE 3.33Å; M614-R668 PolarHBondContact O-NH2 3.09Å; E615-R668 PolarHBondContact O-NH1 3.45Å; E615-R668 PolarHBondContact O-NH2 3.45Å; E615-R668 VanDerWaalsContact OE2-CD 3.31Å; E615-R668 WeakPolarHBondContact OE2-CD 3.28Å; L617-R668 PolarHBondContact O-NH2 3.03Å; W664-R668 HydrophobicContact CD2-CG 4.13Å; W664-R668 HydrophobicContact CG-CG 4.33Å; W664-R668 HydrophobicContact CZ2-CG 3.95Å; W664-R668 VanDerWaalsContact NE1-CG 3.33Å; W664-R668 VanDerWaalsContact O-CG 3.27Å; W664-R668 WeakPolarHBondContact O-CG 3.4Å; W664-R668 PolarHBondContact O-N 2.85Å; S665-R668 PolarHBondContact O-N 2.95Å; R668-E671 WeakPolarHBondContact CD-OE2 3.37Å; R668-E671 IonicContact CZ-OE2 2.7Å; R668-E671 IonicContact NE-OE2 3.19Å; R668-E671 IonicContact NH1-OE2 2.69Å; R668-E671 PolarHBondContact NH1-OE2 3.02Å; R668-A672 WeakPolarHBondContact O-CB 3.41Å; R668-A672 PolarHBondContact O-N 3.34Å
669	T	73.4	Confident	74.3	Confident	8 Å²	8	65 Å²	65	5%	0.049	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-52.9	170.5	-62.8	0	0	0	0	110.9	Q197 S665 C666 R667 E671 A672 Q673	Q197-T669 PolarHBondContact NE2-OG1 3.36Å; Q197-T669 PolarHBondContact OE1-OG1 2.86Å; S665-T669 VanDerWaalsContact O-CB 3.26Å; S665-T669 WeakPolarHBondContact O-CB 3.34Å; S665-T669 PolarHBondContact O-N 2.76Å; S665-T669 PolarHBondContact O-OG1 3.11Å; C666-T669 WeakPolarHBondContact O-CB 3.27Å; C666-T669 PolarHBondContact O-N 2.79Å; R667-T669 VanDerWaalsContact C-N 3.32Å; R667-T669 PolarHBondContact O-N 3.02Å; T669-E671 VanDerWaalsContact C-N 3.3Å; T669-E671 PolarHBondContact O-N 2.89Å; T669-A672 PolarHBondContact O-N 3.35Å; T669-Q673 WeakPolarHBondContact O-CG 3.4Å; T669-Q673 PolarHBondContact O-N 2.9Å
670	L	77.3	Confident	73.1	Confident	114 Å²	114	64 Å²	64	60%	0.597	32%	0.316	S	S	*	.	H	α-helix	trans	-65.6	-35.8	-175.9	-174	63.6	0	0	0	111.3	C666 R667 Q673 K674	C666-L670 WeakPolarHBondContact O-CB 3.24Å; C666-L670 PolarHBondContact O-N 2.88Å; C666-L670 VanDerWaalsContact O-N 3.08Å; R667-L670 PolarHBondContact O-N 2.85Å; R667-L670 VanDerWaalsContact O-N 3.15Å; L670-Q673 PolarHBondContact O-N 3.25Å; L670-K674 VanDerWaalsContact O-CB 3.26Å; L670-K674 WeakPolarHBondContact O-CB 3.47Å; L670-K674 PolarHBondContact O-N 3.45Å
671	E	72.3	Confident	71.9	Confident	31 Å²	31	67.2 Å²	67.2	15%	0.145	34%	0.338	C	S	.	.	H	α-helix	trans	-65.4	-45.2	172	-69	-175.4	137.1	0	0	113	Q446 R667 R668 T669 Q673 K674 Q675	Q446-E671 WeakPolarHBondContact CB-OE1 3.37Å; Q446-E671 WeakPolarHBondContact CG-OE1 3.27Å; Q446-E671 PolarHBondContact NE2-OE1 2.76Å; R667-E671 WeakPolarHBondContact O-CG 3.48Å; R667-E671 PolarHBondContact O-N 3.07Å; R668-E671 WeakPolarHBondContact CD-OE2 3.37Å; R668-E671 IonicContact CZ-OE2 2.7Å; R668-E671 IonicContact NE-OE2 3.19Å; R668-E671 IonicContact NH1-OE2 2.69Å; R668-E671 PolarHBondContact NH1-OE2 3.02Å; T669-E671 VanDerWaalsContact C-N 3.3Å; T669-E671 PolarHBondContact O-N 2.89Å; E671-Q673 VanDerWaalsContact C-N 3.26Å; E671-Q673 PolarHBondContact O-N 2.84Å; E671-K674 PolarHBondContact O-N 2.83Å; E671-Q675 WeakPolarHBondContact O-CB 3.4Å; E671-Q675 WeakPolarHBondContact O-CG 3.4Å; E671-Q675 PolarHBondContact O-N 3.16Å
672	A	72.6	Confident	70.5	Confident	29 Å²	29	73 Å²	73	24%	0.24	36%	0.364	C	S	.	.	H	α-helix	trans	-60.1	-38.8	176.8	0	0	0	0	0	111.6	P619 R668 T669 K676	P619-A672 HydrophobicContact CB-CB 4.18Å; P619-A672 HydrophobicContact CG-CB 3.74Å; R668-A672 WeakPolarHBondContact O-CB 3.41Å; R668-A672 PolarHBondContact O-N 3.34Å; T669-A672 PolarHBondContact O-N 3.35Å; A672-K676 VanDerWaalsContact O-CB 3.23Å; A672-K676 WeakPolarHBondContact O-CB 3.49Å; A672-K676 PolarHBondContact O-N 3.11Å
673	Q	72.9	Confident	69.1	Low	78 Å²	78	71.5 Å²	71.5	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-66.7	-52.7	173.5	-69.5	172.9	1.6	0	0	111.2	T669 L670 E671 Q675 K676 E677	T669-Q673 WeakPolarHBondContact O-CG 3.4Å; T669-Q673 PolarHBondContact O-N 2.9Å; L670-Q673 PolarHBondContact O-N 3.25Å; E671-Q673 VanDerWaalsContact C-N 3.26Å; E671-Q673 PolarHBondContact O-N 2.84Å; Q673-Q675 PolarHBondContact O-N 2.86Å; Q673-K676 CarbonylContact O-C 3.5Å; Q673-K676 WeakPolarHBondContact O-CB 3.45Å; Q673-K676 PolarHBondContact O-N 3.08Å; Q673-K676 VanDerWaalsContact O-N 3.16Å; Q673-E677 WeakPolarHBondContact O-CB 3.3Å; Q673-E677 WeakPolarHBondContact O-CG 3.35Å; Q673-E677 PolarHBondContact O-N 2.71Å
674	K	72.2	Confident	67.6	Low	143 Å²	143	72 Å²	72	62%	0.622	37%	0.369	S	S	*	.	H	α-helix	trans	-61.7	-38.7	-179.2	-173.3	178.1	179.9	-177.7	0	113.3	L670 E671 E677 T678	L670-K674 VanDerWaalsContact O-CB 3.26Å; L670-K674 WeakPolarHBondContact O-CB 3.47Å; L670-K674 PolarHBondContact O-N 3.45Å; E671-K674 PolarHBondContact O-N 2.83Å; K674-E677 PolarHBondContact O-N 3.04Å; K674-T678 WeakPolarHBondContact O-CB 3.36Å; K674-T678 PolarHBondContact O-N 3.2Å; K674-T678 PolarHBondContact O-OG1 3.45Å
675	Q	67.4	Low	65.9	Low	29 Å²	29	77.2 Å²	77.2	14%	0.136	40%	0.397	C	S	.	.	H	α-helix	trans	-66	-43.6	174.8	-72.9	-176.8	20	0	0	111.2	S453 E671 Q673 T678 Q679	S453-Q675 PolarHBondContact OG-OE1 3.14Å; E671-Q675 WeakPolarHBondContact O-CB 3.4Å; E671-Q675 WeakPolarHBondContact O-CG 3.4Å; E671-Q675 PolarHBondContact O-N 3.16Å; Q673-Q675 PolarHBondContact O-N 2.86Å; Q675-T678 WeakPolarHBondContact O-CB 3.35Å; Q675-T678 PolarHBondContact O-N 3.01Å; Q675-Q679 WeakPolarHBondContact O-CG 3.33Å; Q675-Q679 PolarHBondContact O-N 2.85Å
676	K	67.5	Low	64.9	Low	99 Å²	99	82.6 Å²	82.6	43%	0.43	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-41.3	174.9	174.8	-175	170.4	-165	0	112	A672 Q673 Q679 Q680	A672-K676 VanDerWaalsContact O-CB 3.23Å; A672-K676 WeakPolarHBondContact O-CB 3.49Å; A672-K676 PolarHBondContact O-N 3.11Å; Q673-K676 CarbonylContact O-C 3.5Å; Q673-K676 WeakPolarHBondContact O-CB 3.45Å; Q673-K676 PolarHBondContact O-N 3.08Å; Q673-K676 VanDerWaalsContact O-N 3.16Å; K676-Q679 PolarHBondContact O-N 2.91Å; K676-Q680 VanDerWaalsContact CE-OE1 3.31Å; K676-Q680 VanDerWaalsContact CG-OE1 3.3Å; K676-Q680 WeakPolarHBondContact O-CB 3.29Å; K676-Q680 VanDerWaalsContact O-CG 3.29Å; K676-Q680 WeakPolarHBondContact O-CG 3.16Å; K676-Q680 PolarHBondContact O-N 2.87Å
677	E	66.8	Low	64.4	Low	120 Å²	120	84 Å²	84	56%	0.561	42%	0.415	S	S	*	.	H	α-helix	trans	-64.7	-39.1	173.6	-74.8	172.1	174.9	0	0	111.9	Q673 K674 Q680 S681	Q673-E677 WeakPolarHBondContact O-CB 3.3Å; Q673-E677 WeakPolarHBondContact O-CG 3.35Å; Q673-E677 PolarHBondContact O-N 2.71Å; K674-E677 PolarHBondContact O-N 3.04Å; E677-Q680 PolarHBondContact O-N 3.05Å; E677-S681 WeakPolarHBondContact O-CB 3.36Å; E677-S681 PolarHBondContact O-N 3.31Å; E677-S681 PolarHBondContact O-OG 3.39Å
678	T	62	Low	64	Low	50 Å²	50	82.9 Å²	82.9	31%	0.307	42%	0.415	S	S	.	.	H	α-helix	trans	-63.5	-48.1	175.2	-55.7	0	0	0	0	110.3	K674 Q675 Q680 S681 Q682	K674-T678 WeakPolarHBondContact O-CB 3.36Å; K674-T678 PolarHBondContact O-N 3.2Å; K674-T678 PolarHBondContact O-OG1 3.45Å; Q675-T678 WeakPolarHBondContact O-CB 3.35Å; Q675-T678 PolarHBondContact O-N 3.01Å; T678-Q680 VanDerWaalsContact C-N 3.29Å; T678-Q680 PolarHBondContact O-N 2.94Å; T678-S681 PolarHBondContact O-N 3.47Å; T678-Q682 HydrophobicContact CG2-CG 4.32Å; T678-Q682 WeakPolarHBondContact O-CB 3.34Å; T678-Q682 PolarHBondContact O-N 3.03Å
679	Q	59.1	Low	63.8	Low	112 Å²	112	84.9 Å²	84.9	52%	0.523	43%	0.428	S	S	.	.	H	α-helix	trans	-61.4	-33.1	175.3	-71.8	171.7	1.2	0	0	113.2	Q675 K676	Q675-Q679 WeakPolarHBondContact O-CG 3.33Å; Q675-Q679 PolarHBondContact O-N 2.85Å; K676-Q679 PolarHBondContact O-N 2.91Å
680	Q	54	Low	64.1	Low	113 Å²	113	89.6 Å²	89.6	53%	0.528	45%	0.445	S	S	.	.	H	α-helix	trans	-86.3	-22.8	179.1	-70	-172.7	-115.6	0	0	113.8	K676 E677 T678	K676-Q680 VanDerWaalsContact CE-OE1 3.31Å; K676-Q680 VanDerWaalsContact CG-OE1 3.3Å; K676-Q680 WeakPolarHBondContact O-CB 3.29Å; K676-Q680 VanDerWaalsContact O-CG 3.29Å; K676-Q680 WeakPolarHBondContact O-CG 3.16Å; K676-Q680 PolarHBondContact O-N 2.87Å; E677-Q680 PolarHBondContact O-N 3.05Å; T678-Q680 VanDerWaalsContact C-N 3.29Å; T678-Q680 PolarHBondContact O-N 2.94Å
681	S	52.1	Low	64.5	Low	97 Å²	97	85.3 Å²	85.3	68%	0.678	42%	0.422	S	S	*	.	H	α-helix	trans	-104.5	-20.7	-175.9	-51.4	0	0	0	0	114.3	E677 T678	E677-S681 WeakPolarHBondContact O-CB 3.36Å; E677-S681 PolarHBondContact O-N 3.31Å; E677-S681 PolarHBondContact O-OG 3.39Å; T678-S681 PolarHBondContact O-N 3.47Å
682	Q	50.1	Low	65.1	Low	132 Å²	132	89 Å²	89	62%	0.617	44%	0.442	S	S	*	.			trans	-110.6	13.3	178.9	-60.1	-166.8	-34.1	0	0	117.6	T678 H684	T678-Q682 HydrophobicContact CG2-CG 4.32Å; T678-Q682 WeakPolarHBondContact O-CB 3.34Å; T678-Q682 PolarHBondContact O-N 3.03Å; Q682-H684 PolarHBondContact O-N 3.24Å
683	P	47.5	Very low	65.7	Low	90 Å²	90	89.1 Å²	89.1	58%	0.584	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	19.6	-174.5	35.4	-39.2	0	0	0	114.3
684	H	48.9	Very low	66.2	Low	119 Å²	119	91.5 Å²	91.5	55%	0.551	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	-17.3	-168.6	-110.8	-106.7	0	0	0	115.3	Q682 R687 A708	Q682-H684 PolarHBondContact O-N 3.24Å; H684-R687 PolarHBondContact CE1-NH2 3.43Å; H684-A708 WeakPolarHBondContact O-CB 3.43Å
685	L	49.1	Very low	66.7	Low	113 Å²	113	87.9 Å²	87.9	59%	0.592	44%	0.436	S	S	*	.	S	Bend	trans	-91.3	-16.2	-167.1	-144.8	76.7	0	0	0	115.2	R707	L685-R707 VanDerWaalsContact O-CA 3.24Å; L685-R707 WeakPolarHBondContact O-CA 3.36Å; L685-R707 VanDerWaalsContact O-CB 3.26Å; L685-R707 WeakPolarHBondContact O-CB 3.47Å
686	Q	58.1	Low	67.4	Low	118 Å²	118	89.4 Å²	89.4	55%	0.551	46%	0.46	S	S	*	.			trans	-132.9	123.1	171.3	-66.9	-178.6	1.3	0	0	108.3
687	R	66.5	Low	67.8	Low	111 Å²	111	94.2 Å²	94.2	42%	0.419	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.7	174.9	-69.7	176.8	172.8	172	-4.9	108	H684 W706	H684-R687 PolarHBondContact CE1-NH2 3.43Å; R687-W706 PolarHBondContact N-O 2.8Å; R687-W706 PolarHBondContact O-N 2.89Å
688	C	73.1	Confident	68.3	Low	33 Å²	33	97.3 Å²	97.3	22%	0.223	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.6	168.4	-66.4	0	0	0	0	109.4	T703 L704	C688-T703 HydrophobicContact CB-CG2 3.75Å; C688-L704 CarbonylContact C-O 3.59Å; C688-L704 WeakPolarHBondContact CA-O 3.47Å
689	V	77.4	Confident	69.3	Low	43 Å²	43	99.2 Å²	99.2	26%	0.261	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	114.9	177.8	-171.7	0	0	0	0	108	I691 T703 L704 W706	V689-I691 HydrophobicContact CB-CG1 4.37Å; V689-I691 HydrophobicContact CG1-CD1 4.1Å; V689-I691 HydrophobicContact CG1-CG1 3.73Å; V689-T703 WeakPolarHBondContact O-CA 3.31Å; V689-L704 PolarHBondContact N-O 3.37Å; V689-L704 PolarHBondContact O-N 3.23Å; V689-W706 HydrophobicContact CG2-CB 4.13Å; V689-W706 HydrophobicContact CG2-CE3 3.95Å
690	R	80.1	Confident	70.3	Confident	108 Å²	108	95.8 Å²	95.8	41%	0.408	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.9	168.6	-85.1	179.2	63	159.8	1.3	108.7	R463 E466 T703	R463-R690 WeakPolarHBondContact O-CD 3.26Å; R463-R690 PolarHBondContact O-NH1 3.35Å; E466-R690 IonicContact OE1-CZ 3.68Å; E466-R690 IonicContact OE1-NH1 3.74Å; E466-R690 PolarHBondContact OE1-NH1 3.15Å; E466-R690 IonicContact OE1-NH2 2.78Å; E466-R690 PolarHBondContact OE1-NH2 3.37Å; R690-T703 HydrophobicContact CG-CG2 4.15Å; R690-T703 WeakPolarHBondContact CG-OG1 3.38Å
691	I	85	Confident	71.6	Confident	24 Å²	24	94.4 Å²	94.4	12%	0.123	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128	-177.9	-61.4	-176.4	0	0	0	108.5	V689 V701 Q702 L704 L715 C719 F723 L733	V689-I691 HydrophobicContact CB-CG1 4.37Å; V689-I691 HydrophobicContact CG1-CD1 4.1Å; V689-I691 HydrophobicContact CG1-CG1 3.73Å; I691-V701 WeakPolarHBondContact O-CA 3.33Å; I691-Q702 PolarHBondContact N-O 3.33Å; I691-Q702 PolarHBondContact O-N 3.06Å; I691-L704 HydrophobicContact CD1-CD1 3.86Å; I691-L704 HydrophobicContact CD1-CG 4.38Å; I691-L715 HydrophobicContact CD1-CD1 4.13Å; I691-L715 HydrophobicContact CD1-CG 4.38Å; I691-C719 WeakPolarHBondContact CD1-SG 3.43Å; I691-F723 HydrophobicContact CB-CE2 4.4Å; I691-F723 HydrophobicContact CB-CZ 4.47Å; I691-F723 HydrophobicContact CG2-CE2 3.99Å; I691-F723 HydrophobicContact CG2-CZ 4.35Å; I691-L733 HydrophobicContact CD1-CD2 4.45Å
692	L	84.9	Confident	72.9	Confident	107 Å²	107	92.3 Å²	92.3	56%	0.56	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	109.3	168.4	171.8	63.9	0	0	0	107.7	V701	L692-V701 HydrophobicContact CB-CG2 4.33Å; L692-V701 HydrophobicContact CD1-CG2 3.66Å
693	F	85.3	Confident	74.4	Confident	33 Å²	33	86.5 Å²	86.5	15%	0.145	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.5	164.8	177.9	-101.9	0	0	0	109.2	D695 S699 A700 F723 V725 Y731	F693-D695 HydrophobicContact CE1-CB 3.63Å; F693-D695 HydrophobicContact CZ-CB 3.65Å; F693-S699 WeakPolarHBondContact O-CA 3.4Å; F693-A700 PolarHBondContact N-O 3.08Å; F693-A700 PolarHBondContact O-N 3.31Å; F693-F723 HydrophobicContact CB-CB 4.44Å; F693-F723 HydrophobicContact CB-CD1 3.59Å; F693-F723 HydrophobicContact CB-CD2 3.78Å; F693-F723 HydrophobicContact CB-CE1 3.63Å; F693-F723 HydrophobicContact CB-CE2 3.83Å; F693-F723 HydrophobicContact CB-CG 3.68Å; F693-F723 HydrophobicContact CB-CZ 3.75Å; F693-F723 HydrophobicContact CD1-CB 4.28Å; F693-F723 HydrophobicContact CD1-CD1 4.34Å; F693-F723 HydrophobicContact CD1-CG 4.34Å; F693-F723 HydrophobicContact CD2-CB 4.14Å; F693-F723 HydrophobicContact CD2-CD2 4.19Å; F693-F723 HydrophobicContact CD2-CG 4.14Å; F693-F723 HydrophobicContact CE2-CB 4.5Å; F693-F723 HydrophobicContact CG-CB 4.02Å; F693-F723 HydrophobicContact CG-CD1 4.02Å; F693-F723 HydrophobicContact CG-CD2 4.13Å; F693-F723 AromaticContact CG-CG 3.8Å; F693-F723 HydrophobicContact CG-CG 3.8Å; F693-V725 HydrophobicContact CD2-CG2 4.3Å; F693-V725 HydrophobicContact CE2-CG2 3.51Å; F693-V725 HydrophobicContact CZ-CG2 3.84Å; F693-Y731 HydrophobicContact CD2-CD1 4.47Å; F693-Y731 HydrophobicContact CD2-CE1 4.4Å; F693-Y731 AromaticContact CE2-CD1 3.73Å; F693-Y731 HydrophobicContact CE2-CD1 3.73Å; F693-Y731 AromaticContact CE2-CE1 3.4Å; F693-Y731 HydrophobicContact CE2-CE1 3.4Å; F693-Y731 VanDerWaalsContact CE2-CE1 3.4Å; F693-Y731 AromaticContact CE2-CZ 3.96Å; F693-Y731 AromaticContact CZ-CE1 3.76Å; F693-Y731 HydrophobicContact CZ-CE1 3.76Å; F693-Y731 AromaticContact CZ-CZ 3.98Å
694	Q	82.9	Confident	76	Confident	128 Å²	128	82.6 Å²	82.6	60%	0.598	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	123.5	174.7	-172.9	173.6	-2.6	0	0	110.6	R698	Q694-R698 CarbonylContact C-O 3.59Å; Q694-R698 WeakPolarHBondContact CA-O 3.13Å
695	D	82.8	Confident	77.4	Confident	66 Å²	66	81 Å²	81	35%	0.353	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	95.8	177.8	171.3	25.1	0	0	0	108.5	F693 E697 R698 Y731	F693-D695 HydrophobicContact CE1-CB 3.63Å; F693-D695 HydrophobicContact CZ-CB 3.65Å; D695-E697 PolarHBondContact O-N 3.45Å; D695-E697 VanDerWaalsContact O-N 3.13Å; D695-R698 HydrophobicContact CB-CB 4.44Å; D695-R698 PolarHBondContact N-O 2.86Å; D695-R698 WeakPolarHBondContact O-CB 3.15Å; D695-R698 PolarHBondContact O-N 3.3Å; D695-Y731 HydrophobicContact CB-CE1 4.44Å; D695-Y731 WeakPolarHBondContact CB-OH 3.48Å; D695-Y731 VanDerWaalsContact CG-OH 3.22Å; D695-Y731 PolarHBondContact OD1-OH 3.27Å
696	G	82.8	Confident	78.8	Confident	62 Å²	62	78.4 Å²	78.4	64%	0.639	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-115.4	-171.3	0	0	0	0	0	112.3
697	E	76.1	Confident	79.4	Confident	200 Å²	200	79.5 Å²	79.5	94%	0.935	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.2	175.9	-61.7	-172.4	157.8	0	0	113.5	D695 S699	D695-E697 PolarHBondContact O-N 3.45Å; D695-E697 VanDerWaalsContact O-N 3.13Å; E697-S699 PolarHBondContact O-N 2.66Å
698	R	77.6	Confident	79.4	Confident	185 Å²	185	75.8 Å²	75.8	70%	0.698	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.2	179	-63.6	178.2	171.4	-173.3	-2.5	109.5	Q694 D695	Q694-R698 CarbonylContact C-O 3.59Å; Q694-R698 WeakPolarHBondContact CA-O 3.13Å; D695-R698 HydrophobicContact CB-CB 4.44Å; D695-R698 PolarHBondContact N-O 2.86Å; D695-R698 WeakPolarHBondContact O-CB 3.15Å; D695-R698 PolarHBondContact O-N 3.3Å
699	S	81.6	Confident	79.2	Confident	90 Å²	90	78.1 Å²	78.1	63%	0.629	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.2	166.7	57.8	0	0	0	0	110.8	F693 E697	F693-S699 WeakPolarHBondContact O-CA 3.4Å; E697-S699 PolarHBondContact O-N 2.66Å
700	A	80.9	Confident	79.2	Confident	40 Å²	40	78.9 Å²	78.9	33%	0.331	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.5	175.8	0	0	0	0	0	109.4	F693 F723	F693-A700 PolarHBondContact N-O 3.08Å; F693-A700 PolarHBondContact O-N 3.31Å; A700-F723 HydrophobicContact CB-CD1 4.15Å; A700-F723 HydrophobicContact CB-CE1 4.04Å
701	V	81.9	Confident	79.3	Confident	83 Å²	83	77.8 Å²	77.8	50%	0.503	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.7	173.8	179.3	0	0	0	0	108.4	I691 L692	I691-V701 WeakPolarHBondContact O-CA 3.33Å; L692-V701 HydrophobicContact CB-CG2 4.33Å; L692-V701 HydrophobicContact CD1-CG2 3.66Å
702	Q	78.7	Confident	79.1	Confident	53 Å²	53	81 Å²	81	25%	0.248	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.5	172.6	-164.4	161.4	-6.5	0	0	111.1	R420 I691 L704 T722 F723	R420-Q702 PolarHBondContact O-NE2 3.45Å; R420-Q702 VanDerWaalsContact O-NE2 3.12Å; I691-Q702 PolarHBondContact N-O 3.33Å; I691-Q702 PolarHBondContact O-N 3.06Å; Q702-L704 HydrophobicContact CG-CD2 4.28Å; Q702-T722 VanDerWaalsContact CD-CG2 3.42Å; Q702-T722 HydrophobicContact CG-CG2 4.31Å; Q702-T722 VanDerWaalsContact OE1-CG2 3.23Å; Q702-F723 HydrophobicContact CB-CE1 3.8Å; Q702-F723 HydrophobicContact CB-CZ 3.82Å
703	T	82.3	Confident	78.9	Confident	10 Å²	10	82.4 Å²	82.4	6%	0.061	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.4	174.8	-48.3	0	0	0	0	109.1	V422 E464 C688 V689 R690	V422-T703 HydrophobicContact CG2-CG2 4.06Å; V422-T703 WeakPolarHBondContact CG2-O 3.38Å; E464-T703 HydrophobicContact CG-CG2 4.27Å; E464-T703 WeakPolarHBondContact CG-OG1 3.34Å; E464-T703 WeakPolarHBondContact OE1-CB 3.36Å; C688-T703 HydrophobicContact CB-CG2 3.75Å; V689-T703 WeakPolarHBondContact O-CA 3.31Å; R690-T703 HydrophobicContact CG-CG2 4.15Å; R690-T703 WeakPolarHBondContact CG-OG1 3.38Å
704	L	80.4	Confident	78.8	Confident	8 Å²	8	82.4 Å²	82.4	4%	0.042	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.8	176.7	-48.9	-174.7	0	0	0	110.1	C688 V689 I691 Q702 L715 L718 C719 T722	C688-L704 CarbonylContact C-O 3.59Å; C688-L704 WeakPolarHBondContact CA-O 3.47Å; V689-L704 PolarHBondContact N-O 3.37Å; V689-L704 PolarHBondContact O-N 3.23Å; I691-L704 HydrophobicContact CD1-CD1 3.86Å; I691-L704 HydrophobicContact CD1-CG 4.38Å; Q702-L704 HydrophobicContact CG-CD2 4.28Å; L704-L715 HydrophobicContact CD1-CD1 4.41Å; L704-L718 HydrophobicContact CB-CD2 4.03Å; L704-L718 HydrophobicContact CD1-CD2 4.27Å; L704-L718 HydrophobicContact CD1-CG 4.12Å; L704-C719 HydrophobicContact CD1-CB 4.46Å; L704-C719 VanDerWaalsContact CD1-SG 3.58Å; L704-T722 HydrophobicContact CD2-CG2 3.69Å
705	Q	78.1	Confident	78.9	Confident	85 Å²	85	77 Å²	77	40%	0.397	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.2	166.1	-68.4	-171.7	-11.5	0	0	109.7	V422 L718	V422-Q705 HydrophobicContact CG1-CG 3.56Å; V422-Q705 HydrophobicContact CG2-CG 4.33Å; Q705-L718 WeakPolarHBondContact O-CD2 3.11Å
706	W	78.3	Confident	79	Confident	60 Å²	60	75.7 Å²	75.7	23%	0.227	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.5	177	177	48.3	0	0	0	109.7	R687 V689 E710 L715	R687-W706 PolarHBondContact N-O 2.8Å; R687-W706 PolarHBondContact O-N 2.89Å; V689-W706 HydrophobicContact CG2-CB 4.13Å; V689-W706 HydrophobicContact CG2-CE3 3.95Å; W706-E710 WeakPolarHBondContact CZ2-O 3.45Å; W706-E710 PolarHBondContact NE1-O 2.91Å; W706-L715 HydrophobicContact CB-CD1 4.1Å; W706-L715 HydrophobicContact CD2-CD2 4.13Å; W706-L715 HydrophobicContact CE3-CD2 4.48Å; W706-L715 HydrophobicContact CG-CD1 4.12Å; W706-L715 HydrophobicContact CG-CD2 4.26Å
707	R	71.6	Confident	79	Confident	140 Å²	140	78.7 Å²	78.7	53%	0.528	43%	0.431	S	S	.	.			trans	-90.8	139.9	-178.2	-48.8	-173.2	-172.9	108.2	-7.5	111.2	L685 G709 E710	L685-R707 VanDerWaalsContact O-CA 3.24Å; L685-R707 WeakPolarHBondContact O-CA 3.36Å; L685-R707 VanDerWaalsContact O-CB 3.26Å; L685-R707 WeakPolarHBondContact O-CB 3.47Å; R707-G709 PolarHBondContact O-N 3.33Å; R707-E710 VanDerWaalsContact CB-CD 3.42Å; R707-E710 HydrophobicContact CB-CG 4Å; R707-E710 WeakPolarHBondContact CB-OE1 3.49Å; R707-E710 WeakPolarHBondContact CB-OE2 3.29Å; R707-E710 VanDerWaalsContact CD-OE1 3.28Å; R707-E710 WeakPolarHBondContact CD-OE1 3.37Å; R707-E710 VanDerWaalsContact CG-OE1 3.3Å; R707-E710 WeakPolarHBondContact CG-OE1 3.41Å; R707-E710 IonicContact CZ-OE1 3.71Å; R707-E710 PolarHBondContact N-OE2 3.25Å; R707-E710 IonicContact NE-OE1 3.66Å; R707-E710 IonicContact NH1-OE1 2.72Å; R707-E710 PolarHBondContact NH1-OE1 3.49Å; R707-E710 WeakPolarHBondContact O-CB 3.33Å; R707-E710 PolarHBondContact O-N 2.88Å
708	A	65	Low	79.4	Confident	34 Å²	34	72.1 Å²	72.1	28%	0.281	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	123.9	175.5	0	0	0	0	0	110.6	H684	H684-A708 WeakPolarHBondContact O-CB 3.43Å
709	G	69.3	Low	79.8	Confident	81 Å²	81	63.9 Å²	63.9	84%	0.835	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.2	-15.6	-173.1	0	0	0	0	0	113.8	R707	R707-G709 PolarHBondContact O-N 3.33Å
710	E	77.4	Confident	80	Confident	59 Å²	59	60.3 Å²	60.3	28%	0.276	35%	0.348	S	S	.	.			trans	-72.2	143.3	168.4	-70.6	169.5	173.3	0	0	110.3	W706 R707 A714	W706-E710 WeakPolarHBondContact CZ2-O 3.45Å; W706-E710 PolarHBondContact NE1-O 2.91Å; R707-E710 VanDerWaalsContact CB-CD 3.42Å; R707-E710 HydrophobicContact CB-CG 4Å; R707-E710 WeakPolarHBondContact CB-OE1 3.49Å; R707-E710 WeakPolarHBondContact CB-OE2 3.29Å; R707-E710 VanDerWaalsContact CD-OE1 3.28Å; R707-E710 WeakPolarHBondContact CD-OE1 3.37Å; R707-E710 VanDerWaalsContact CG-OE1 3.3Å; R707-E710 WeakPolarHBondContact CG-OE1 3.41Å; R707-E710 IonicContact CZ-OE1 3.71Å; R707-E710 PolarHBondContact N-OE2 3.25Å; R707-E710 IonicContact NE-OE1 3.66Å; R707-E710 IonicContact NH1-OE1 2.72Å; R707-E710 PolarHBondContact NH1-OE1 3.49Å; R707-E710 WeakPolarHBondContact O-CB 3.33Å; R707-E710 PolarHBondContact O-N 2.88Å; E710-A714 HydrophobicContact CB-CB 4.43Å
711	T	82.3	Confident	80.2	Confident	85 Å²	85	62.6 Å²	62.6	52%	0.521	36%	0.362	S	S	.	.			trans	-75.2	159.6	-176.8	61.8	0	0	0	0	112	Q713 A714 L715	T711-Q713 PolarHBondContact O-N 2.93Å; T711-A714 WeakPolarHBondContact O-CB 3.37Å; T711-A714 PolarHBondContact O-N 3.17Å; T711-A714 VanDerWaalsContact O-N 3.07Å; T711-A714 PolarHBondContact OG1-N 3.33Å; T711-L715 PolarHBondContact O-N 2.87Å; T711-L715 VanDerWaalsContact O-N 3.13Å
712	S	80.4	Confident	80.2	Confident	91 Å²	91	61 Å²	61	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-58	-29.9	170.4	50	0	0	0	0	112.6	L715 A716	S712-L715 PolarHBondContact O-N 3.17Å; S712-A716 WeakPolarHBondContact O-CB 3.33Å; S712-A716 PolarHBondContact O-N 3.07Å
713	Q	81.8	Confident	80.5	Confident	137 Å²	137	60.3 Å²	60.3	64%	0.64	35%	0.348	S	S	*	.	H	α-helix	trans	-68.1	-37.9	174.4	-168.6	176.8	14.8	0	0	112.5	T711 A716 Q717	T711-Q713 PolarHBondContact O-N 2.93Å; Q713-A716 PolarHBondContact O-N 3.28Å; Q713-Q717 WeakPolarHBondContact O-CG 3.36Å; Q713-Q717 PolarHBondContact O-N 2.96Å
714	A	82.9	Confident	80.4	Confident	34 Å²	34	62.5 Å²	62.5	28%	0.281	37%	0.373	S	S	.	.	H	α-helix	trans	-66	-39.5	173.1	0	0	0	0	0	111.4	E710 T711 Q717 L718	E710-A714 HydrophobicContact CB-CB 4.43Å; T711-A714 WeakPolarHBondContact O-CB 3.37Å; T711-A714 PolarHBondContact O-N 3.17Å; T711-A714 VanDerWaalsContact O-N 3.07Å; T711-A714 PolarHBondContact OG1-N 3.33Å; A714-Q717 PolarHBondContact O-N 3.24Å; A714-L718 PolarHBondContact O-N 2.71Å
715	L	84.8	Confident	80.6	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.073	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-40.8	172.9	-175.7	56.6	0	0	0	111.8	I691 L704 W706 T711 S712 Q717 L718 C719 L733	I691-L715 HydrophobicContact CD1-CD1 4.13Å; I691-L715 HydrophobicContact CD1-CG 4.38Å; L704-L715 HydrophobicContact CD1-CD1 4.41Å; W706-L715 HydrophobicContact CB-CD1 4.1Å; W706-L715 HydrophobicContact CD2-CD2 4.13Å; W706-L715 HydrophobicContact CE3-CD2 4.48Å; W706-L715 HydrophobicContact CG-CD1 4.12Å; W706-L715 HydrophobicContact CG-CD2 4.26Å; T711-L715 PolarHBondContact O-N 2.87Å; T711-L715 VanDerWaalsContact O-N 3.13Å; S712-L715 PolarHBondContact O-N 3.17Å; L715-Q717 PolarHBondContact O-N 2.87Å; L715-L718 HydrophobicContact CD1-CD2 4.44Å; L715-L718 WeakPolarHBondContact O-CB 3.06Å; L715-L718 PolarHBondContact O-N 2.72Å; L715-C719 PolarHBondContact O-N 3.31Å; L715-C719 PolarHBondContact O-SG 3.35Å; L715-L733 HydrophobicContact CB-CD1 4.03Å; L715-L733 HydrophobicContact CD2-CD1 4Å; L715-L733 HydrophobicContact CG-CD1 3.82Å
716	A	84.5	Confident	80.5	Confident	38 Å²	38	65.3 Å²	65.3	31%	0.314	40%	0.402	S	S	.	.	H	α-helix	trans	-64.1	-39.2	175.9	0	0	0	0	0	112.4	S712 Q713 C719 A720 L733	S712-A716 WeakPolarHBondContact O-CB 3.33Å; S712-A716 PolarHBondContact O-N 3.07Å; Q713-A716 PolarHBondContact O-N 3.28Å; A716-C719 WeakPolarHBondContact O-CB 3.37Å; A716-C719 PolarHBondContact O-N 3.2Å; A716-A720 WeakPolarHBondContact O-CB 3.45Å; A716-A720 PolarHBondContact O-N 3.49Å; A716-L733 HydrophobicContact CB-CD1 4.08Å; A716-L733 HydrophobicContact CB-CG 4.42Å
717	Q	83.8	Confident	80.5	Confident	125 Å²	125	65.5 Å²	65.5	58%	0.584	41%	0.407	S	S	*	.	H	α-helix	trans	-64.3	-38.3	172.5	-73.4	172.2	-12.6	0	0	112.5	Q713 A714 L715 A720 S721	Q713-Q717 WeakPolarHBondContact O-CG 3.36Å; Q713-Q717 PolarHBondContact O-N 2.96Å; A714-Q717 PolarHBondContact O-N 3.24Å; L715-Q717 PolarHBondContact O-N 2.87Å; Q717-A720 PolarHBondContact O-N 3.05Å; Q717-S721 PolarHBondContact O-N 2.75Å; Q717-S721 PolarHBondContact O-OG 2.94Å; Q717-S721 VanDerWaalsContact O-OG 3.13Å
718	L	84.8	Confident	80.7	Confident	63 Å²	63	62.2 Å²	62.2	33%	0.33	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-37.1	174.3	-172.4	66	0	0	0	111.8	L704 Q705 A714 L715 S721 T722	L704-L718 HydrophobicContact CB-CD2 4.03Å; L704-L718 HydrophobicContact CD1-CD2 4.27Å; L704-L718 HydrophobicContact CD1-CG 4.12Å; Q705-L718 WeakPolarHBondContact O-CD2 3.11Å; A714-L718 PolarHBondContact O-N 2.71Å; L715-L718 HydrophobicContact CD1-CD2 4.44Å; L715-L718 WeakPolarHBondContact O-CB 3.06Å; L715-L718 PolarHBondContact O-N 2.72Å; L718-S721 PolarHBondContact O-OG 2.71Å; L718-T722 VanDerWaalsContact O-CB 3.27Å; L718-T722 WeakPolarHBondContact O-CB 3.26Å; L718-T722 PolarHBondContact O-N 3.26Å; L718-T722 PolarHBondContact O-OG1 3Å
719	C	85.9	Confident	81.2	Confident	12 Å²	12	69.3 Å²	69.3	8%	0.081	43%	0.431	C	S	.	.	H	α-helix	trans	-64.1	-48.8	172.5	-63.7	0	0	0	0	111.2	I691 L704 L715 A716 S721 T722 F723	I691-C719 WeakPolarHBondContact CD1-SG 3.43Å; L704-C719 HydrophobicContact CD1-CB 4.46Å; L704-C719 VanDerWaalsContact CD1-SG 3.58Å; L715-C719 PolarHBondContact O-N 3.31Å; L715-C719 PolarHBondContact O-SG 3.35Å; A716-C719 WeakPolarHBondContact O-CB 3.37Å; A716-C719 PolarHBondContact O-N 3.2Å; C719-S721 VanDerWaalsContact C-N 3.35Å; C719-S721 PolarHBondContact O-N 3.09Å; C719-T722 PolarHBondContact O-N 3.38Å; C719-F723 HydrophobicContact CB-CD2 4.2Å; C719-F723 HydrophobicContact CB-CE2 4.4Å; C719-F723 VanDerWaalsContact O-CD2 3.27Å; C719-F723 WeakPolarHBondContact O-CD2 3.25Å; C719-F723 PolarHBondContact O-N 3.5Å
720	A	84.8	Confident	81.6	Confident	14 Å²	14	72.4 Å²	72.4	12%	0.116	42%	0.424	C	S	.	.	H	α-helix	trans	-61.1	-41.8	-177.9	0	0	0	0	0	112.7	A716 Q717 G724 V725 P728	A716-A720 WeakPolarHBondContact O-CB 3.45Å; A716-A720 PolarHBondContact O-N 3.49Å; Q717-A720 PolarHBondContact O-N 3.05Å; A720-G724 CarbonylContact O-C 3.6Å; A720-G724 WeakPolarHBondContact O-CA 3.17Å; A720-G724 PolarHBondContact O-N 2.82Å; A720-V725 HydrophobicContact CB-CB 4.21Å; A720-V725 PolarHBondContact O-N 2.75Å; A720-P728 HydrophobicContact CB-CB 3.9Å; A720-P728 HydrophobicContact CB-CG 3.8Å
721	S	84.3	Confident	81.5	Confident	89 Å²	89	73.4 Å²	73.4	62%	0.622	43%	0.426	S	S	*	.	H	α-helix	trans	-69.8	-35.8	175.3	58.5	0	0	0	0	113	Q717 L718 C719	Q717-S721 PolarHBondContact O-N 2.75Å; Q717-S721 PolarHBondContact O-OG 2.94Å; Q717-S721 VanDerWaalsContact O-OG 3.13Å; L718-S721 PolarHBondContact O-OG 2.71Å; C719-S721 VanDerWaalsContact C-N 3.35Å; C719-S721 PolarHBondContact O-N 3.09Å
722	T	82.6	Confident	81.4	Confident	49 Å²	49	75.7 Å²	75.7	30%	0.301	44%	0.44	S	S	.	.	H	α-helix	trans	-75.3	-42.3	-178.7	-55.7	0	0	0	0	112.9	Q702 L704 L718 C719	Q702-T722 VanDerWaalsContact CD-CG2 3.42Å; Q702-T722 HydrophobicContact CG-CG2 4.31Å; Q702-T722 VanDerWaalsContact OE1-CG2 3.23Å; L704-T722 HydrophobicContact CD2-CG2 3.69Å; L718-T722 VanDerWaalsContact O-CB 3.27Å; L718-T722 WeakPolarHBondContact O-CB 3.26Å; L718-T722 PolarHBondContact O-N 3.26Å; L718-T722 PolarHBondContact O-OG1 3Å; C719-T722 PolarHBondContact O-N 3.38Å
723	F	84.3	Confident	81.4	Confident	38 Å²	38	75.1 Å²	75.1	17%	0.167	43%	0.429	C	S	.	.	H	α-helix	trans	-87.4	-2.9	178.2	-63.2	-67.9	0	0	0	113.5	I691 F693 A700 Q702 C719 V725	I691-F723 HydrophobicContact CB-CE2 4.4Å; I691-F723 HydrophobicContact CB-CZ 4.47Å; I691-F723 HydrophobicContact CG2-CE2 3.99Å; I691-F723 HydrophobicContact CG2-CZ 4.35Å; F693-F723 HydrophobicContact CB-CB 4.44Å; F693-F723 HydrophobicContact CB-CD1 3.59Å; F693-F723 HydrophobicContact CB-CD2 3.78Å; F693-F723 HydrophobicContact CB-CE1 3.63Å; F693-F723 HydrophobicContact CB-CE2 3.83Å; F693-F723 HydrophobicContact CB-CG 3.68Å; F693-F723 HydrophobicContact CB-CZ 3.75Å; F693-F723 HydrophobicContact CD1-CB 4.28Å; F693-F723 HydrophobicContact CD1-CD1 4.34Å; F693-F723 HydrophobicContact CD1-CG 4.34Å; F693-F723 HydrophobicContact CD2-CB 4.14Å; F693-F723 HydrophobicContact CD2-CD2 4.19Å; F693-F723 HydrophobicContact CD2-CG 4.14Å; F693-F723 HydrophobicContact CE2-CB 4.5Å; F693-F723 HydrophobicContact CG-CB 4.02Å; F693-F723 HydrophobicContact CG-CD1 4.02Å; F693-F723 HydrophobicContact CG-CD2 4.13Å; F693-F723 AromaticContact CG-CG 3.8Å; F693-F723 HydrophobicContact CG-CG 3.8Å; A700-F723 HydrophobicContact CB-CD1 4.15Å; A700-F723 HydrophobicContact CB-CE1 4.04Å; Q702-F723 HydrophobicContact CB-CE1 3.8Å; Q702-F723 HydrophobicContact CB-CZ 3.82Å; C719-F723 HydrophobicContact CB-CD2 4.2Å; C719-F723 HydrophobicContact CB-CE2 4.4Å; C719-F723 VanDerWaalsContact O-CD2 3.27Å; C719-F723 WeakPolarHBondContact O-CD2 3.25Å; C719-F723 PolarHBondContact O-N 3.5Å; F723-V725 HydrophobicContact CB-CG2 4.03Å
724	G	82.1	Confident	80.9	Confident	57 Å²	57	81.7 Å²	81.7	59%	0.588	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	29.6	176.7	0	0	0	0	0	114.7	A720 S726	A720-G724 CarbonylContact O-C 3.6Å; A720-G724 WeakPolarHBondContact O-CA 3.17Å; A720-G724 PolarHBondContact O-N 2.82Å; G724-S726 PolarHBondContact O-N 3.09Å
725	V	83.3	Confident	80.8	Confident	25 Å²	25	84.1 Å²	84.1	15%	0.152	47%	0.465	C	S	.	.			trans	-73.3	118.6	-172.8	-176.3	0	0	0	0	110.9	F693 A720 F723 Y731	F693-V725 HydrophobicContact CD2-CG2 4.3Å; F693-V725 HydrophobicContact CE2-CG2 3.51Å; F693-V725 HydrophobicContact CZ-CG2 3.84Å; A720-V725 HydrophobicContact CB-CB 4.21Å; A720-V725 PolarHBondContact O-N 2.75Å; F723-V725 HydrophobicContact CB-CG2 4.03Å; V725-Y731 HydrophobicContact CG1-CD2 3.52Å; V725-Y731 HydrophobicContact CG1-CE2 3.5Å; V725-Y731 HydrophobicContact CG1-CG 4.36Å
726	S	76	Confident	80.6	Confident	127 Å²	127	87.7 Å²	87.7	89%	0.888	49%	0.486	S	S	*	.	S	Bend	trans	-75.1	-28.5	-175	-47.4	0	0	0	0	114.6	G724	G724-S726 PolarHBondContact O-N 3.09Å
727	D	79.2	Confident	80.4	Confident	64 Å²	64	90.5 Å²	90.5	34%	0.342	50%	0.495	S	S	.	.			trans	-126.2	96.9	170.5	-174.9	-4.5	0	0	0	110.3	Q729 Q730	D727-Q729 PolarHBondContact O-N 2.57Å; D727-Q729 WeakPolarHBondContact OD1-CB 3.48Å; D727-Q729 PolarHBondContact OD1-N 3.47Å; D727-Q730 HydrophobicContact CB-CG 4.36Å; D727-Q730 WeakPolarHBondContact OD2-CG 3.19Å; D727-Q730 PolarHBondContact OD2-NE2 3.25Å
728	P	74.7	Confident	80.2	Confident	70 Å²	70	88.5 Å²	88.5	46%	0.455	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-65.5	-15.1	179.4	-21.3	33.5	0	0	0	114.5	A720 Q730	A720-P728 HydrophobicContact CB-CB 3.9Å; A720-P728 HydrophobicContact CB-CG 3.8Å; P728-Q730 VanDerWaalsContact C-N 3.33Å
729	Q	77.1	Confident	79.9	Confident	183 Å²	183	90.1 Å²	90.1	86%	0.855	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-79.7	-17	-174.6	-55	-169.6	26.8	0	0	112.9	D727 Y731	D727-Q729 PolarHBondContact O-N 2.57Å; D727-Q729 WeakPolarHBondContact OD1-CB 3.48Å; D727-Q729 PolarHBondContact OD1-N 3.47Å; Q729-Y731 VanDerWaalsContact C-N 3.3Å
730	Q	76.1	Confident	79.5	Confident	147 Å²	147	95.3 Å²	95.3	69%	0.687	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-82.7	-8.1	177.9	-60.8	-178.4	31.7	0	0	113.1	D727 P728	D727-Q730 HydrophobicContact CB-CG 4.36Å; D727-Q730 WeakPolarHBondContact OD2-CG 3.19Å; D727-Q730 PolarHBondContact OD2-NE2 3.25Å; P728-Q730 VanDerWaalsContact C-N 3.33Å
731	Y	76.3	Confident	79.2	Confident	80 Å²	80	101.1 Å²	101.1	31%	0.314	56%	0.557	S	S	.	*			trans	-117.2	137.7	-173.9	-67.9	-94.6	0	0	0	111.5	F693 D695 V725 Q729	F693-Y731 HydrophobicContact CD2-CD1 4.47Å; F693-Y731 HydrophobicContact CD2-CE1 4.4Å; F693-Y731 AromaticContact CE2-CD1 3.73Å; F693-Y731 HydrophobicContact CE2-CD1 3.73Å; F693-Y731 AromaticContact CE2-CE1 3.4Å; F693-Y731 HydrophobicContact CE2-CE1 3.4Å; F693-Y731 VanDerWaalsContact CE2-CE1 3.4Å; F693-Y731 AromaticContact CE2-CZ 3.96Å; F693-Y731 AromaticContact CZ-CE1 3.76Å; F693-Y731 HydrophobicContact CZ-CE1 3.76Å; F693-Y731 AromaticContact CZ-CZ 3.98Å; D695-Y731 HydrophobicContact CB-CE1 4.44Å; D695-Y731 WeakPolarHBondContact CB-OH 3.48Å; D695-Y731 VanDerWaalsContact CG-OH 3.22Å; D695-Y731 PolarHBondContact OD1-OH 3.27Å; V725-Y731 HydrophobicContact CG1-CD2 3.52Å; V725-Y731 HydrophobicContact CG1-CE2 3.5Å; V725-Y731 HydrophobicContact CG1-CG 4.36Å; Q729-Y731 VanDerWaalsContact C-N 3.3Å
732	T	80.1	Confident	78.8	Confident	133 Å²	133	102 Å²	102	82%	0.816	55%	0.552	S	S	*	*			trans	-122.7	148.7	175.4	52	0	0	0	0	110.7
733	L	80.7	Confident	78.5	Confident	78 Å²	78	106.4 Å²	106.4	41%	0.408	57%	0.573	S	S	.	*			trans	-82	137.1	168.2	-64.8	172.7	0	0	0	108.9	I691 L715 A716	I691-L733 HydrophobicContact CD1-CD2 4.45Å; L715-L733 HydrophobicContact CB-CD1 4.03Å; L715-L733 HydrophobicContact CD2-CD1 4Å; L715-L733 HydrophobicContact CG-CD1 3.82Å; A716-L733 HydrophobicContact CB-CD1 4.08Å; A716-L733 HydrophobicContact CB-CG 4.42Å
734	F	71.8	Confident	77.9	Confident	275 Å²	275	112.6 Å²	112.6	100%	1.206	61%	0.61	S	S	*	*			trans	-122.4	0	-178	-174.8	-87.7	0	0	0	110.2

Retrieved 734 of 734 residues in 217 ms (Link to these results)

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