A0A087XM55_POEFO Loading...

Outer dynein arm docking complex subunit 2

AlphaFold DB , UniProt , Accession A0A087XM55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 692 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	36.8	Very low	41.1	Very low	216 Å²	216	138.2 Å²	138.2	100%	1.064	78%	0.78	S	S	*	*				0	-29.4	0	-74.9	175.1	172.9	0	0	114.3	K3 I4	M1-K3 PolarHBondContact O-N 2.8Å; M1-I4 PolarHBondContact O-N 2.73Å
2	V	36.7	Very low	42	Very low	143 Å²	143	130.6 Å²	130.6	87%	0.867	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	-25.7	-172.7	-176	0	0	0	0	116
3	K	36.3	Very low	43	Very low	210 Å²	210	124.8 Å²	124.8	91%	0.913	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	3.3	-175.7	-92.9	-168.8	173.8	-173.7	0	117.4	M1	M1-K3 PolarHBondContact O-N 2.8Å
4	I	38.9	Very low	43.5	Very low	149 Å²	149	128.4 Å²	128.4	76%	0.764	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-24.5	-178	-64.7	176.1	0	0	0	112.9	M1	M1-I4 PolarHBondContact O-N 2.73Å
5	V	41.8	Very low	43.9	Very low	90 Å²	90	130 Å²	130	55%	0.545	72%	0.719	S	S	.	*	G	3₁₀ helix	trans	-75.7	-28	-174.7	-173	0	0	0	0	112.8	Q7 S8 L9	V5-Q7 PolarHBondContact O-N 3.32Å; V5-S8 PolarHBondContact O-N 3.31Å; V5-L9 HydrophobicContact CG1-CD1 4.27Å
6	G	39.2	Very low	44.1	Very low	70 Å²	70	126.3 Å²	126.3	72%	0.722	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-70.1	6	-168.3	0	0	0	0	0	117.9
7	Q	39.8	Very low	44.5	Very low	196 Å²	196	124.2 Å²	124.2	92%	0.916	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-122.2	2.5	176.5	-75.2	-173.1	-46.9	0	0	114.4	V5	V5-Q7 PolarHBondContact O-N 3.32Å
8	S	42.8	Very low	44.8	Very low	92 Å²	92	120.3 Å²	120.3	64%	0.643	67%	0.668	S	S	*	*	S	Bend	trans	-102.7	-5.9	179.4	-164.5	0	0	0	0	114.7	V5	V5-S8 PolarHBondContact O-N 3.31Å
9	L	44.1	Very low	45.1	Very low	97 Å²	97	118.2 Å²	118.2	51%	0.508	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.4	11.7	-170.5	-71.9	166.4	0	0	0	114.5	V5 L20	V5-L9 HydrophobicContact CG1-CD1 4.27Å; L9-L20 HydrophobicContact CD2-CD1 4.47Å
10	A	46.5	Very low	45.4	Very low	91 Å²	91	116.2 Å²	116.2	75%	0.752	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-13	-178.6	0	0	0	0	0	114.4
11	N	49.3	Very low	45.6	Very low	166 Å²	166	115.4 Å²	115.4	89%	0.888	64%	0.637	S	S	*	*	S	Bend	trans	-139.5	22.4	-172.2	-82.4	-22.1	0	0	0	113.1
12	T	51.3	Low	46.4	Very low	47 Å²	47	109.8 Å²	109.8	29%	0.288	61%	0.61	S	S	.	*			trans	-96.6	136.6	177.2	42.6	0	0	0	0	111.1	D16	T12-D16 HydrophobicContact CG2-CB 4.24Å
13	S	55.9	Low	47.3	Very low	56 Å²	56	106 Å²	106	39%	0.392	59%	0.586	S	S	.	*			trans	-75.8	169.1	-179.4	70.6	0	0	0	0	113	E15 D16 I17	S13-E15 PolarHBondContact O-N 3.1Å; S13-E15 PolarHBondContact OG-N 3.16Å; S13-D16 WeakPolarHBondContact CB-OD2 3.46Å; S13-D16 PolarHBondContact N-OD2 3.04Å; S13-D16 WeakPolarHBondContact O-CB 3.45Å; S13-D16 PolarHBondContact O-N 3.05Å; S13-D16 VanDerWaalsContact O-N 3.13Å; S13-D16 VanDerWaalsContact OG-CG 3.32Å; S13-D16 PolarHBondContact OG-N 3.11Å; S13-D16 PolarHBondContact OG-OD2 3.28Å; S13-I17 WeakPolarHBondContact O-CG1 3.49Å; S13-I17 PolarHBondContact O-N 3.04Å
14	E	49.9	Very low	48.4	Very low	174 Å²	174	99.8 Å²	99.8	81%	0.813	57%	0.565	S	S	*	*	H	α-helix	trans	-61.8	-30.7	174	-64.8	-175.1	120.6	0	0	112.5	I17 S18	E14-I17 PolarHBondContact O-N 2.93Å; E14-S18 WeakPolarHBondContact O-CB 3.5Å; E14-S18 PolarHBondContact O-N 3.27Å
15	E	48.5	Very low	49.1	Very low	153 Å²	153	99.7 Å²	99.7	72%	0.715	56%	0.555	S	S	*	*	H	α-helix	trans	-66.7	-40.7	173.4	-62.5	-163.9	138.3	0	0	111.4	S13 I17 S18 T19	S13-E15 PolarHBondContact O-N 3.1Å; S13-E15 PolarHBondContact OG-N 3.16Å; E15-I17 VanDerWaalsContact C-N 3.35Å; E15-I17 PolarHBondContact O-N 3.33Å; E15-S18 PolarHBondContact O-N 3.01Å; E15-S18 PolarHBondContact O-OG 3.42Å; E15-T19 WeakPolarHBondContact O-CG2 3.36Å; E15-T19 PolarHBondContact O-N 3.34Å; E15-T19 PolarHBondContact O-OG1 2.9Å
16	D	47.9	Very low	49.8	Very low	71 Å²	71	98.9 Å²	98.9	38%	0.38	55%	0.55	S	S	.	.	H	α-helix	trans	-62.9	-39.9	174.1	-60.8	-61.3	0	0	0	111.6	T12 S13 T19 L20	T12-D16 HydrophobicContact CG2-CB 4.24Å; S13-D16 WeakPolarHBondContact CB-OD2 3.46Å; S13-D16 PolarHBondContact N-OD2 3.04Å; S13-D16 WeakPolarHBondContact O-CB 3.45Å; S13-D16 PolarHBondContact O-N 3.05Å; S13-D16 VanDerWaalsContact O-N 3.13Å; S13-D16 VanDerWaalsContact OG-CG 3.32Å; S13-D16 PolarHBondContact OG-N 3.11Å; S13-D16 PolarHBondContact OG-OD2 3.28Å; D16-T19 WeakPolarHBondContact CA-OG1 3.47Å; D16-T19 PolarHBondContact O-N 2.72Å; D16-T19 PolarHBondContact O-OG1 3.13Å; D16-L20 WeakPolarHBondContact O-CB 3.44Å; D16-L20 PolarHBondContact O-N 3.05Å
17	I	51.3	Low	50.8	Low	90 Å²	90	100.7 Å²	100.7	46%	0.462	54%	0.538	S	S	.	.	H	α-helix	trans	-66.7	-43.1	176.8	-64.5	168.8	0	0	0	110.5	S13 E14 E15 T19 L20 E21	S13-I17 WeakPolarHBondContact O-CG1 3.49Å; S13-I17 PolarHBondContact O-N 3.04Å; E14-I17 PolarHBondContact O-N 2.93Å; E15-I17 VanDerWaalsContact C-N 3.35Å; E15-I17 PolarHBondContact O-N 3.33Å; I17-T19 VanDerWaalsContact C-N 3.33Å; I17-T19 PolarHBondContact O-N 3.34Å; I17-L20 WeakPolarHBondContact O-CB 3.39Å; I17-L20 PolarHBondContact O-N 2.92Å; I17-E21 PolarHBondContact O-N 2.91Å
18	S	50.2	Low	51.6	Low	55 Å²	55	96.3 Å²	96.3	39%	0.385	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-36.3	177.7	80.6	0	0	0	0	112.7	E14 E15 E21 I22	E14-S18 WeakPolarHBondContact O-CB 3.5Å; E14-S18 PolarHBondContact O-N 3.27Å; E15-S18 PolarHBondContact O-N 3.01Å; E15-S18 PolarHBondContact O-OG 3.42Å; S18-E21 PolarHBondContact O-N 3.11Å; S18-I22 WeakPolarHBondContact O-CD1 3.31Å; S18-I22 VanDerWaalsContact O-CG1 3.29Å; S18-I22 WeakPolarHBondContact O-CG1 3.46Å; S18-I22 PolarHBondContact O-N 3.27Å; S18-I22 VanDerWaalsContact O-N 3.09Å
19	T	50.6	Low	52.1	Low	79 Å²	79	99 Å²	99	49%	0.485	52%	0.521	S	S	.	.	H	α-helix	trans	-76	-32.8	177.4	50.2	0	0	0	0	111.9	E15 D16 I17 I22 D23	E15-T19 WeakPolarHBondContact O-CG2 3.36Å; E15-T19 PolarHBondContact O-N 3.34Å; E15-T19 PolarHBondContact O-OG1 2.9Å; D16-T19 WeakPolarHBondContact CA-OG1 3.47Å; D16-T19 PolarHBondContact O-N 2.72Å; D16-T19 PolarHBondContact O-OG1 3.13Å; I17-T19 VanDerWaalsContact C-N 3.33Å; I17-T19 PolarHBondContact O-N 3.34Å; T19-I22 PolarHBondContact O-N 3.27Å; T19-D23 WeakPolarHBondContact O-CB 3.29Å; T19-D23 PolarHBondContact O-N 2.86Å
20	L	50.9	Low	52.9	Low	79 Å²	79	98.4 Å²	98.4	41%	0.414	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-42.7	166.7	-100.2	146.5	0	0	0	112.5	L9 D16 I17 I22 D23 V24	L9-L20 HydrophobicContact CD2-CD1 4.47Å; D16-L20 WeakPolarHBondContact O-CB 3.44Å; D16-L20 PolarHBondContact O-N 3.05Å; I17-L20 WeakPolarHBondContact O-CB 3.39Å; I17-L20 PolarHBondContact O-N 2.92Å; L20-I22 VanDerWaalsContact C-N 3.34Å; L20-I22 PolarHBondContact O-N 2.96Å; L20-D23 PolarHBondContact O-N 3.15Å; L20-V24 WeakPolarHBondContact O-CB 3.48Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 3.2Å
21	E	49.9	Very low	53.6	Low	100 Å²	100	99.4 Å²	99.4	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-59	-44.6	172.1	-86.7	-138	130	0	0	112	I17 S18 V24 R25	I17-E21 PolarHBondContact O-N 2.91Å; S18-E21 PolarHBondContact O-N 3.11Å; E21-V24 PolarHBondContact O-N 3.24Å; E21-R25 WeakPolarHBondContact O-CB 3.24Å; E21-R25 WeakPolarHBondContact O-CG 3.24Å; E21-R25 PolarHBondContact O-N 3.25Å; E21-R25 IonicContact OE1-CZ 2.79Å; E21-R25 IonicContact OE1-NH2 2.77Å; E21-R25 PolarHBondContact OE1-NH2 2.93Å; E21-R25 VanDerWaalsContact OE1-NH2 3.09Å; E21-R25 IonicContact OE2-CZ 3.5Å; E21-R25 IonicContact OE2-NH1 2.71Å; E21-R25 PolarHBondContact OE2-NH1 3.11Å; E21-R25 IonicContact OE2-NH2 3.5Å; E21-R25 PolarHBondContact OE2-NH2 3.13Å
22	I	51.8	Low	54	Low	97 Å²	97	96.1 Å²	96.1	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-45.8	180	-69.5	164.3	0	0	0	110.5	S18 T19 L20 R25 V26	S18-I22 WeakPolarHBondContact O-CD1 3.31Å; S18-I22 VanDerWaalsContact O-CG1 3.29Å; S18-I22 WeakPolarHBondContact O-CG1 3.46Å; S18-I22 PolarHBondContact O-N 3.27Å; S18-I22 VanDerWaalsContact O-N 3.09Å; T19-I22 PolarHBondContact O-N 3.27Å; L20-I22 VanDerWaalsContact C-N 3.34Å; L20-I22 PolarHBondContact O-N 2.96Å; I22-R25 PolarHBondContact O-N 3.14Å; I22-V26 HydrophobicContact CG2-CG2 4.45Å; I22-V26 WeakPolarHBondContact O-CB 3.35Å; I22-V26 VanDerWaalsContact O-CG2 3.3Å; I22-V26 WeakPolarHBondContact O-CG2 3.34Å; I22-V26 PolarHBondContact O-N 3.11Å
23	D	55.8	Low	54.1	Low	65 Å²	65	101.1 Å²	101.1	35%	0.348	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-40	176.7	174	50.7	0	0	0	112	T19 L20 V26 K27	T19-D23 WeakPolarHBondContact O-CB 3.29Å; T19-D23 PolarHBondContact O-N 2.86Å; L20-D23 PolarHBondContact O-N 3.15Å; D23-V26 PolarHBondContact O-N 3.1Å; D23-K27 WeakPolarHBondContact O-CB 3.46Å; D23-K27 WeakPolarHBondContact O-CD 3.34Å; D23-K27 VanDerWaalsContact O-CG 3.3Å; D23-K27 WeakPolarHBondContact O-CG 3.07Å; D23-K27 PolarHBondContact O-N 2.92Å; D23-K27 WeakPolarHBondContact OD1-CD 3.33Å; D23-K27 WeakPolarHBondContact OD1-CE 3.42Å; D23-K27 IonicContact OD1-NZ 2.71Å; D23-K27 PolarHBondContact OD1-NZ 3.4Å; D23-K27 IonicContact OD2-NZ 3.58Å; D23-K27 PolarHBondContact OD2-NZ 3.01Å
24	V	59.8	Low	54.3	Low	79 Å²	79	101.5 Å²	101.5	48%	0.479	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-44.8	172	168.4	0	0	0	0	111.3	L20 E21 K27 L28	L20-V24 WeakPolarHBondContact O-CB 3.48Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 3.2Å; E21-V24 PolarHBondContact O-N 3.24Å; V24-K27 PolarHBondContact O-N 3.24Å; V24-L28 WeakPolarHBondContact O-CB 3.22Å; V24-L28 PolarHBondContact O-N 3.11Å
25	R	53.5	Low	54.8	Low	146 Å²	146	96.4 Å²	96.4	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-62.5	-42.4	175.8	-75.5	176.8	-176.6	128.9	12.4	111.8	E21 I22 L28 F29	E21-R25 WeakPolarHBondContact O-CB 3.24Å; E21-R25 WeakPolarHBondContact O-CG 3.24Å; E21-R25 PolarHBondContact O-N 3.25Å; E21-R25 IonicContact OE1-CZ 2.79Å; E21-R25 IonicContact OE1-NH2 2.77Å; E21-R25 PolarHBondContact OE1-NH2 2.93Å; E21-R25 VanDerWaalsContact OE1-NH2 3.09Å; E21-R25 IonicContact OE2-CZ 3.5Å; E21-R25 IonicContact OE2-NH1 2.71Å; E21-R25 PolarHBondContact OE2-NH1 3.11Å; E21-R25 IonicContact OE2-NH2 3.5Å; E21-R25 PolarHBondContact OE2-NH2 3.13Å; I22-R25 PolarHBondContact O-N 3.14Å; R25-L28 PolarHBondContact O-N 2.71Å; R25-F29 WeakPolarHBondContact O-CB 3.32Å; R25-F29 PolarHBondContact O-N 2.83Å
26	V	56.2	Low	55.1	Low	73 Å²	73	94 Å²	94	44%	0.442	48%	0.475	S	S	.	.	H	α-helix	trans	-63.8	-43.7	175.6	168	0	0	0	0	110.9	I22 D23 L28 F29 I30	I22-V26 HydrophobicContact CG2-CG2 4.45Å; I22-V26 WeakPolarHBondContact O-CB 3.35Å; I22-V26 VanDerWaalsContact O-CG2 3.3Å; I22-V26 WeakPolarHBondContact O-CG2 3.34Å; I22-V26 PolarHBondContact O-N 3.11Å; D23-V26 PolarHBondContact O-N 3.1Å; V26-L28 PolarHBondContact O-N 2.74Å; V26-F29 PolarHBondContact O-N 2.73Å; V26-I30 HydrophobicContact CG1-CD1 3.78Å; V26-I30 WeakPolarHBondContact O-CB 3.4Å; V26-I30 VanDerWaalsContact O-CG1 3.28Å; V26-I30 WeakPolarHBondContact O-CG1 3.23Å; V26-I30 PolarHBondContact O-N 3.3Å
27	K	60.1	Low	55.7	Low	108 Å²	108	94.2 Å²	94.2	47%	0.47	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-38.8	174.5	-77.3	163.6	174.7	158.6	0	112.3	D23 V24 I30 L31	D23-K27 WeakPolarHBondContact O-CB 3.46Å; D23-K27 WeakPolarHBondContact O-CD 3.34Å; D23-K27 VanDerWaalsContact O-CG 3.3Å; D23-K27 WeakPolarHBondContact O-CG 3.07Å; D23-K27 PolarHBondContact O-N 2.92Å; D23-K27 WeakPolarHBondContact OD1-CD 3.33Å; D23-K27 WeakPolarHBondContact OD1-CE 3.42Å; D23-K27 IonicContact OD1-NZ 2.71Å; D23-K27 PolarHBondContact OD1-NZ 3.4Å; D23-K27 IonicContact OD2-NZ 3.58Å; D23-K27 PolarHBondContact OD2-NZ 3.01Å; V24-K27 PolarHBondContact O-N 3.24Å; K27-I30 PolarHBondContact O-N 2.71Å; K27-L31 WeakPolarHBondContact O-CB 3.38Å; K27-L31 VanDerWaalsContact O-CG 3.3Å; K27-L31 WeakPolarHBondContact O-CG 3.46Å; K27-L31 PolarHBondContact O-N 3.07Å
28	L	58.1	Low	56	Low	104 Å²	104	97.1 Å²	97.1	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-42.4	174.3	-141	88.3	0	0	0	111.5	V24 R25 V26 L31 L32	V24-L28 WeakPolarHBondContact O-CB 3.22Å; V24-L28 PolarHBondContact O-N 3.11Å; R25-L28 PolarHBondContact O-N 2.71Å; V26-L28 PolarHBondContact O-N 2.74Å; L28-L31 PolarHBondContact O-N 2.89Å; L28-L32 WeakPolarHBondContact O-CB 3.38Å; L28-L32 PolarHBondContact O-N 3.36Å
29	F	52.5	Low	56.5	Low	149 Å²	149	98.7 Å²	98.7	65%	0.654	49%	0.486	S	S	*	.	H	α-helix	trans	-65.9	-41.1	177.6	-170.6	-93.9	0	0	0	112.1	R25 V26 L32 R33	R25-F29 WeakPolarHBondContact O-CB 3.32Å; R25-F29 PolarHBondContact O-N 2.83Å; V26-F29 PolarHBondContact O-N 2.73Å; F29-L32 PolarHBondContact O-N 2.76Å; F29-R33 WeakPolarHBondContact O-CB 3.37Å; F29-R33 PolarHBondContact O-N 2.88Å
30	I	61.6	Low	56.4	Low	85 Å²	85	100.2 Å²	100.2	44%	0.436	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-40.5	172.7	-69.5	165.7	0	0	0	110.8	V26 K27 N34	V26-I30 HydrophobicContact CG1-CD1 3.78Å; V26-I30 WeakPolarHBondContact O-CB 3.4Å; V26-I30 VanDerWaalsContact O-CG1 3.28Å; V26-I30 WeakPolarHBondContact O-CG1 3.23Å; V26-I30 PolarHBondContact O-N 3.3Å; K27-I30 PolarHBondContact O-N 2.71Å; I30-N34 VanDerWaalsContact O-CB 3.23Å; I30-N34 WeakPolarHBondContact O-CB 3.32Å; I30-N34 PolarHBondContact O-N 2.99Å; I30-N34 PolarHBondContact O-ND2 2.92Å
31	L	61.4	Low	56.4	Low	112 Å²	112	101.8 Å²	101.8	59%	0.586	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-44.9	175	-78	166.3	0	0	0	112.1	K27 L28 N34 T35	K27-L31 WeakPolarHBondContact O-CB 3.38Å; K27-L31 VanDerWaalsContact O-CG 3.3Å; K27-L31 WeakPolarHBondContact O-CG 3.46Å; K27-L31 PolarHBondContact O-N 3.07Å; L28-L31 PolarHBondContact O-N 2.89Å; L31-N34 CarbonylContact O-C 3.57Å; L31-N34 PolarHBondContact O-N 3.4Å; L31-T35 PolarHBondContact O-N 2.91Å; L31-T35 PolarHBondContact O-OG1 3.35Å; L31-T35 VanDerWaalsContact O-OG1 3.13Å
32	L	57.4	Low	56.6	Low	96 Å²	96	103.1 Å²	103.1	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-50.9	175.3	-86.8	159.9	0	0	0	111.6	L28 F29 N34 T35 D36	L28-L32 WeakPolarHBondContact O-CB 3.38Å; L28-L32 PolarHBondContact O-N 3.36Å; F29-L32 PolarHBondContact O-N 2.76Å; L32-N34 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 2.78Å; L32-T35 WeakPolarHBondContact CA-OG1 3.26Å; L32-T35 PolarHBondContact O-N 3.14Å; L32-T35 VanDerWaalsContact O-N 3.08Å; L32-T35 PolarHBondContact O-OG1 3.13Å; L32-D36 PolarHBondContact O-N 3.03Å
33	R	53.7	Low	56.3	Low	153 Å²	153	104.1 Å²	104.1	58%	0.577	51%	0.505	S	S	*	.	H	α-helix	trans	-57.3	-42.8	174.1	178.9	-178.7	164.8	172.9	-2.3	111.8	F29 T35 D36 E37	F29-R33 WeakPolarHBondContact O-CB 3.37Å; F29-R33 PolarHBondContact O-N 2.88Å; R33-T35 VanDerWaalsContact C-N 3.3Å; R33-T35 PolarHBondContact O-N 3.3Å; R33-D36 PolarHBondContact O-N 3.21Å; R33-E37 IonicContact CZ-OE1 3.84Å; R33-E37 VanDerWaalsContact CZ-OE1 3.23Å; R33-E37 IonicContact NE-OE1 2.67Å; R33-E37 PolarHBondContact NE-OE1 3.15Å; R33-E37 IonicContact NH2-OE1 3.23Å; R33-E37 PolarHBondContact NH2-OE1 3.41Å; R33-E37 PolarHBondContact O-N 3.26Å
34	N	60.3	Low	55.8	Low	64 Å²	64	104.1 Å²	104.1	34%	0.342	51%	0.507	S	S	.	.	H	α-helix	trans	-69.8	-24.1	178.5	-72.4	-19.8	0	0	0	113	I30 L31 L32 K38	I30-N34 VanDerWaalsContact O-CB 3.23Å; I30-N34 WeakPolarHBondContact O-CB 3.32Å; I30-N34 PolarHBondContact O-N 2.99Å; I30-N34 PolarHBondContact O-ND2 2.92Å; L31-N34 CarbonylContact O-C 3.57Å; L31-N34 PolarHBondContact O-N 3.4Å; L32-N34 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 2.78Å; N34-K38 VanDerWaalsContact O-CD 3.27Å; N34-K38 WeakPolarHBondContact O-CD 3.32Å; N34-K38 WeakPolarHBondContact O-CG 3.29Å; N34-K38 PolarHBondContact O-N 3.32Å
35	T	58.8	Low	55	Low	67 Å²	67	102 Å²	102	41%	0.411	50%	0.501	S	S	.	.	H	α-helix	trans	-77.5	-40.9	167.8	39.5	0	0	0	0	111.8	L31 L32 R33 K38 I39	L31-T35 PolarHBondContact O-N 2.91Å; L31-T35 PolarHBondContact O-OG1 3.35Å; L31-T35 VanDerWaalsContact O-OG1 3.13Å; L32-T35 WeakPolarHBondContact CA-OG1 3.26Å; L32-T35 PolarHBondContact O-N 3.14Å; L32-T35 VanDerWaalsContact O-N 3.08Å; L32-T35 PolarHBondContact O-OG1 3.13Å; R33-T35 VanDerWaalsContact C-N 3.3Å; R33-T35 PolarHBondContact O-N 3.3Å; T35-K38 PolarHBondContact O-N 3.17Å; T35-K38 VanDerWaalsContact O-N 3.14Å; T35-I39 WeakPolarHBondContact O-CB 3.25Å; T35-I39 VanDerWaalsContact O-CG1 3.26Å; T35-I39 WeakPolarHBondContact O-CG1 3.45Å; T35-I39 PolarHBondContact O-N 3.15Å
36	D	56.4	Low	54.6	Low	101 Å²	101	98.6 Å²	98.6	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-62.3	-45.2	176.1	-76.4	-7.9	0	0	0	111.5	L32 R33 K38 I39 L40	L32-D36 PolarHBondContact O-N 3.03Å; R33-D36 PolarHBondContact O-N 3.21Å; D36-K38 VanDerWaalsContact C-N 3.28Å; D36-K38 PolarHBondContact O-N 3.38Å; D36-I39 PolarHBondContact O-N 2.88Å; D36-L40 WeakPolarHBondContact O-CB 3.11Å; D36-L40 PolarHBondContact O-N 3.16Å
37	E	58.9	Low	53.9	Low	77 Å²	77	100.2 Å²	100.2	36%	0.36	50%	0.497	S	S	.	.	H	α-helix	trans	-60.8	-35.4	174	-75.9	-179.6	-166.2	0	0	111.8	R33 N41	R33-E37 IonicContact CZ-OE1 3.84Å; R33-E37 VanDerWaalsContact CZ-OE1 3.23Å; R33-E37 IonicContact NE-OE1 2.67Å; R33-E37 PolarHBondContact NE-OE1 3.15Å; R33-E37 IonicContact NH2-OE1 3.23Å; R33-E37 PolarHBondContact NH2-OE1 3.41Å; R33-E37 PolarHBondContact O-N 3.26Å; E37-N41 VanDerWaalsContact O-CB 3.26Å; E37-N41 WeakPolarHBondContact O-CB 3.38Å; E37-N41 PolarHBondContact O-N 2.83Å; E37-N41 PolarHBondContact O-ND2 2.89Å
38	K	59.1	Low	52.9	Low	151 Å²	151	99.9 Å²	99.9	66%	0.657	50%	0.504	S	S	*	.	H	α-helix	trans	-73.7	-39.6	176.2	-75	170.7	-171.4	173.5	0	112.9	N34 T35 D36 K42	N34-K38 VanDerWaalsContact O-CD 3.27Å; N34-K38 WeakPolarHBondContact O-CD 3.32Å; N34-K38 WeakPolarHBondContact O-CG 3.29Å; N34-K38 PolarHBondContact O-N 3.32Å; T35-K38 PolarHBondContact O-N 3.17Å; T35-K38 VanDerWaalsContact O-N 3.14Å; D36-K38 VanDerWaalsContact C-N 3.28Å; D36-K38 PolarHBondContact O-N 3.38Å; K38-K42 WeakPolarHBondContact O-CB 3.33Å; K38-K42 PolarHBondContact O-N 3.22Å
39	I	59	Low	52.1	Low	88 Å²	88	102.4 Å²	102.4	45%	0.451	51%	0.51	S	S	.	.	H	α-helix	trans	-66.3	-45.5	176.2	-71.1	165.4	0	0	0	109.5	T35 D36 K42 F43	T35-I39 WeakPolarHBondContact O-CB 3.25Å; T35-I39 VanDerWaalsContact O-CG1 3.26Å; T35-I39 WeakPolarHBondContact O-CG1 3.45Å; T35-I39 PolarHBondContact O-N 3.15Å; D36-I39 PolarHBondContact O-N 2.88Å; I39-K42 PolarHBondContact O-N 3.01Å; I39-F43 HydrophobicContact CG2-CD2 3.66Å; I39-F43 HydrophobicContact CG2-CE2 3.71Å; I39-F43 WeakPolarHBondContact O-CD2 3.23Å; I39-F43 PolarHBondContact O-N 3.23Å
40	L	48.3	Very low	51.7	Low	111 Å²	111	102.1 Å²	102.1	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-60.7	-49.7	175.2	-175.7	66.2	0	0	0	111.1	D36 K42 F43 V44	D36-L40 WeakPolarHBondContact O-CB 3.11Å; D36-L40 PolarHBondContact O-N 3.16Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 PolarHBondContact O-N 2.74Å; L40-F43 PolarHBondContact O-N 2.88Å; L40-V44 HydrophobicContact CD1-CG2 4.34Å; L40-V44 HydrophobicContact CG-CG2 4.38Å; L40-V44 WeakPolarHBondContact O-CB 3.41Å; L40-V44 VanDerWaalsContact O-CG2 3.26Å; L40-V44 WeakPolarHBondContact O-CG2 3.39Å; L40-V44 PolarHBondContact O-N 3.46Å
41	N	52.5	Low	51.1	Low	111 Å²	111	103.2 Å²	103.2	59%	0.594	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-34.6	177.3	-81.5	-60.7	0	0	0	112.7	E37 G45	E37-N41 VanDerWaalsContact O-CB 3.26Å; E37-N41 WeakPolarHBondContact O-CB 3.38Å; E37-N41 PolarHBondContact O-N 2.83Å; E37-N41 PolarHBondContact O-ND2 2.89Å; N41-G45 PolarHBondContact O-N 3.3Å
42	K	54.4	Low	51	Low	129 Å²	129	104.6 Å²	104.6	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-64.7	-51.1	172.3	-175.7	-169.5	165.8	-167.2	0	111.3	K38 I39 L40 G45 E46	K38-K42 WeakPolarHBondContact O-CB 3.33Å; K38-K42 PolarHBondContact O-N 3.22Å; I39-K42 PolarHBondContact O-N 3.01Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 PolarHBondContact O-N 2.74Å; K42-G45 CarbonylContact O-C 3.6Å; K42-G45 PolarHBondContact O-N 2.93Å; K42-E46 WeakPolarHBondContact CE-OE1 3.35Å; K42-E46 IonicContact NZ-OE1 2.76Å; K42-E46 PolarHBondContact O-N 2.96Å
43	F	44.5	Very low	51.5	Low	117 Å²	117	101.4 Å²	101.4	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-38.6	179.5	-84.5	-61.7	0	0	0	112.5	I39 L40 E46 I47	I39-F43 HydrophobicContact CG2-CD2 3.66Å; I39-F43 HydrophobicContact CG2-CE2 3.71Å; I39-F43 WeakPolarHBondContact O-CD2 3.23Å; I39-F43 PolarHBondContact O-N 3.23Å; L40-F43 PolarHBondContact O-N 2.88Å; F43-E46 PolarHBondContact O-N 3Å; F43-I47 WeakPolarHBondContact O-CB 3.19Å; F43-I47 WeakPolarHBondContact O-CD1 3.27Å; F43-I47 VanDerWaalsContact O-CG1 3.23Å; F43-I47 WeakPolarHBondContact O-CG1 3.28Å; F43-I47 PolarHBondContact O-N 3.35Å
44	V	46.1	Very low	52.6	Low	66 Å²	66	99.2 Å²	99.2	40%	0.4	51%	0.505	S	S	.	.	H	α-helix	trans	-58.9	-49.4	170.5	169.1	0	0	0	0	109.5	L40 E46 I47 T48	L40-V44 HydrophobicContact CD1-CG2 4.34Å; L40-V44 HydrophobicContact CG-CG2 4.38Å; L40-V44 WeakPolarHBondContact O-CB 3.41Å; L40-V44 VanDerWaalsContact O-CG2 3.26Å; L40-V44 WeakPolarHBondContact O-CG2 3.39Å; L40-V44 PolarHBondContact O-N 3.46Å; V44-E46 PolarHBondContact O-N 3.45Å; V44-I47 CarbonylContact O-C 3.51Å; V44-I47 PolarHBondContact O-N 2.93Å; V44-I47 VanDerWaalsContact O-N 3.11Å; V44-T48 PolarHBondContact O-N 2.89Å; V44-T48 PolarHBondContact O-OG1 3.32Å
45	G	41.9	Very low	53.6	Low	34 Å²	34	97.4 Å²	97.4	35%	0.351	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-17.7	176.1	0	0	0	0	0	115.5	N41 K42 K49	N41-G45 PolarHBondContact O-N 3.3Å; K42-G45 CarbonylContact O-C 3.6Å; K42-G45 PolarHBondContact O-N 2.93Å; G45-K49 WeakPolarHBondContact O-CE 3.4Å; G45-K49 WeakPolarHBondContact O-CG 3.35Å
46	E	45.9	Very low	54.7	Low	75 Å²	75	98.1 Å²	98.1	35%	0.35	50%	0.501	S	S	.	.	H	α-helix	trans	-88.5	-36.5	170.9	-74.3	171.2	176.8	0	0	111.7	K42 F43 V44 K49	K42-E46 WeakPolarHBondContact CE-OE1 3.35Å; K42-E46 IonicContact NZ-OE1 2.76Å; K42-E46 PolarHBondContact O-N 2.96Å; F43-E46 PolarHBondContact O-N 3Å; V44-E46 PolarHBondContact O-N 3.45Å; E46-K49 WeakPolarHBondContact O-CB 3.5Å; E46-K49 PolarHBondContact O-N 3.08Å
47	I	41.6	Very low	55.9	Low	107 Å²	107	95.3 Å²	95.3	55%	0.549	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-39.2	171.3	-68.8	162.5	0	0	0	110.9	F43 V44 K49 Q50	F43-I47 WeakPolarHBondContact O-CB 3.19Å; F43-I47 WeakPolarHBondContact O-CD1 3.27Å; F43-I47 VanDerWaalsContact O-CG1 3.23Å; F43-I47 WeakPolarHBondContact O-CG1 3.28Å; F43-I47 PolarHBondContact O-N 3.35Å; V44-I47 CarbonylContact O-C 3.51Å; V44-I47 PolarHBondContact O-N 2.93Å; V44-I47 VanDerWaalsContact O-N 3.11Å; I47-K49 PolarHBondContact O-N 3.24Å; I47-K49 VanDerWaalsContact O-N 3.15Å; I47-Q50 WeakPolarHBondContact O-CB 3.49Å; I47-Q50 PolarHBondContact O-N 3.47Å
48	T	38.5	Very low	57.2	Low	101 Å²	101	91.7 Å²	91.7	62%	0.62	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.7	176.2	-46.7	0	0	0	0	113.1	V44	V44-T48 PolarHBondContact O-N 2.89Å; V44-T48 PolarHBondContact O-OG1 3.32Å
49	K	41.1	Very low	58.5	Low	156 Å²	156	87.7 Å²	87.7	68%	0.678	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-18.1	169.6	-65.3	167.8	-171	167.3	0	112.7	G45 E46 I47 V51	G45-K49 WeakPolarHBondContact O-CE 3.4Å; G45-K49 WeakPolarHBondContact O-CG 3.35Å; E46-K49 WeakPolarHBondContact O-CB 3.5Å; E46-K49 PolarHBondContact O-N 3.08Å; I47-K49 PolarHBondContact O-N 3.24Å; I47-K49 VanDerWaalsContact O-N 3.15Å; K49-V51 PolarHBondContact O-N 3.38Å
50	Q	43.6	Very low	59.8	Low	144 Å²	144	90.3 Å²	90.3	67%	0.673	47%	0.469	S	S	*	.	S	Bend	trans	-82.7	90.5	167.2	-64.9	-175.4	-13	0	0	108.1	I47 K52	I47-Q50 WeakPolarHBondContact O-CB 3.49Å; I47-Q50 PolarHBondContact O-N 3.47Å; Q50-K52 PolarHBondContact O-N 3.05Å; Q50-K52 VanDerWaalsContact O-N 3.14Å
51	V	49.1	Very low	61.6	Low	107 Å²	107	85.4 Å²	85.4	65%	0.648	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-61.5	116	175.5	-179.5	0	0	0	0	108.3	K49	K49-V51 PolarHBondContact O-N 3.38Å
52	K	60	Low	63.3	Low	141 Å²	141	80.1 Å²	80.1	61%	0.613	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-97.3	132.2	169.7	-67.6	-172.6	175.9	-170.7	0	109.5	Q50 S123	Q50-K52 PolarHBondContact O-N 3.05Å; Q50-K52 VanDerWaalsContact O-N 3.14Å; K52-S123 VanDerWaalsContact CA-O 3.28Å; K52-S123 WeakPolarHBondContact CA-O 3.43Å
53	L	66.8	Low	64.9	Low	30 Å²	30	77.8 Å²	77.8	16%	0.157	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-63.4	136.8	164.7	-75.7	161	0	0	0	109	V58 I104 S122 S123 V126	L53-V58 HydrophobicContact CB-CG2 4.24Å; L53-V58 HydrophobicContact CD2-CG2 4.28Å; L53-I104 HydrophobicContact CB-CD1 4.1Å; L53-S122 WeakPolarHBondContact CD1-O 3.38Å; L53-S123 PolarHBondContact N-O 3.2Å; L53-V126 HydrophobicContact CD1-CG2 3.83Å
54	L	77.8	Confident	66.9	Low	106 Å²	106	75 Å²	75	56%	0.555	40%	0.396	S	S	*	.			trans	-107.4	150	175.5	-71.7	171.6	0	0	0	109.1	T56 A57 V58	L54-T56 VanDerWaalsContact C-N 3.31Å; L54-T56 PolarHBondContact O-N 3.01Å; L54-A57 HydrophobicContact CB-CB 4.49Å; L54-A57 PolarHBondContact O-N 3.36Å; L54-V58 PolarHBondContact O-N 2.93Å
55	P	82.1	Confident	68.8	Low	27 Å²	27	72 Å²	72	18%	0.175	38%	0.378	C	S	.	.	H	α-helix	trans	-53.3	-45.3	-178.9	-26.7	34.9	0	0	0	113.8	A57 V58 E59 G91 I104	P55-A57 VanDerWaalsContact C-N 3.32Å; P55-A57 PolarHBondContact O-N 2.97Å; P55-V58 PolarHBondContact O-N 2.81Å; P55-E59 PolarHBondContact O-N 3.46Å; P55-G91 WeakPolarHBondContact CB-O 3.29Å; P55-I104 HydrophobicContact CB-CG2 3.95Å; P55-I104 HydrophobicContact CG-CG2 4.14Å
56	T	81.2	Confident	70.9	Confident	81 Å²	81	75.3 Å²	75.3	50%	0.497	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-35.5	178.5	60.8	0	0	0	0	113.3	L54 E59 E60	L54-T56 VanDerWaalsContact C-N 3.31Å; L54-T56 PolarHBondContact O-N 3.01Å; T56-E59 PolarHBondContact O-N 2.85Å; T56-E60 WeakPolarHBondContact O-CB 3.32Å; T56-E60 VanDerWaalsContact O-CG 3.29Å; T56-E60 WeakPolarHBondContact O-CG 3.49Å; T56-E60 PolarHBondContact O-N 3.23Å
57	A	82.2	Confident	72.6	Confident	42 Å²	42	77.3 Å²	77.3	35%	0.347	39%	0.389	S	S	.	.	H	α-helix	trans	-72.2	-31.8	178.7	0	0	0	0	0	112.2	L54 P55 E61	L54-A57 HydrophobicContact CB-CB 4.49Å; L54-A57 PolarHBondContact O-N 3.36Å; P55-A57 VanDerWaalsContact C-N 3.32Å; P55-A57 PolarHBondContact O-N 2.97Å; A57-E61 PolarHBondContact O-N 3.24Å
58	V	85.4	Confident	74.6	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.006	37%	0.371	C	S	.	.	H	α-helix	trans	-72.5	-38	173	178.8	0	0	0	0	110.6	L53 L54 P55 E61 V62 I104 C105 C121 I151	L53-V58 HydrophobicContact CB-CG2 4.24Å; L53-V58 HydrophobicContact CD2-CG2 4.28Å; L54-V58 PolarHBondContact O-N 2.93Å; P55-V58 PolarHBondContact O-N 2.81Å; V58-E61 PolarHBondContact O-N 2.84Å; V58-V62 WeakPolarHBondContact O-CB 3.23Å; V58-V62 WeakPolarHBondContact O-CG2 3.46Å; V58-V62 PolarHBondContact O-N 3.35Å; V58-I104 HydrophobicContact CG2-CD1 4.12Å; V58-I104 HydrophobicContact CG2-CG2 4.47Å; V58-C105 VanDerWaalsContact CG1-SG 3.57Å; V58-C121 HydrophobicContact CG1-CB 3.69Å; V58-C121 HydrophobicContact CG2-CB 4.24Å; V58-I151 HydrophobicContact CG1-CD1 4.39Å
59	E	86.8	Confident	76.7	Confident	67 Å²	67	71 Å²	71	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-47.4	175	-174.5	174.7	-145.8	0	0	112.2	P55 T56 E61 V62 D63	P55-E59 PolarHBondContact O-N 3.46Å; T56-E59 PolarHBondContact O-N 2.85Å; E59-E61 VanDerWaalsContact C-N 3.3Å; E59-E61 PolarHBondContact O-N 3.19Å; E59-V62 PolarHBondContact O-N 3.14Å; E59-D63 PolarHBondContact O-N 2.87Å
60	E	85.7	Confident	78.3	Confident	143 Å²	143	67.4 Å²	67.4	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-55.4	-42.7	173.7	-77.1	171.4	-164.4	0	0	112.1	T56 F64	T56-E60 WeakPolarHBondContact O-CB 3.32Å; T56-E60 VanDerWaalsContact O-CG 3.29Å; T56-E60 WeakPolarHBondContact O-CG 3.49Å; T56-E60 PolarHBondContact O-N 3.23Å; E60-F64 WeakPolarHBondContact O-CB 3.5Å; E60-F64 PolarHBondContact O-N 3.19Å; E60-F64 VanDerWaalsContact O-N 3.09Å
61	E	86.9	Confident	79.3	Confident	9 Å²	9	69 Å²	69	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-67.5	-44.9	175.7	180	170.8	-145.4	0	0	112.1	A57 V58 E59 D63 F64 L65 D150 I151 A152	A57-E61 PolarHBondContact O-N 3.24Å; V58-E61 PolarHBondContact O-N 2.84Å; E59-E61 VanDerWaalsContact C-N 3.3Å; E59-E61 PolarHBondContact O-N 3.19Å; E61-D63 PolarHBondContact O-N 3.25Å; E61-F64 PolarHBondContact O-N 3.43Å; E61-L65 HydrophobicContact CG-CD1 3.92Å; E61-L65 HydrophobicContact CG-CG 4.36Å; E61-L65 WeakPolarHBondContact O-CB 3.24Å; E61-L65 VanDerWaalsContact O-CG 3.29Å; E61-L65 WeakPolarHBondContact O-CG 3.33Å; E61-L65 PolarHBondContact O-N 3.33Å; E61-D150 WeakPolarHBondContact OE1-CB 3.4Å; E61-I151 VanDerWaalsContact CD-N 3.3Å; E61-I151 HydrophobicContact CG-CB 4.25Å; E61-I151 HydrophobicContact CG-CD1 4.35Å; E61-I151 PolarHBondContact OE1-N 3.21Å; E61-I151 VanDerWaalsContact OE1-N 3.07Å; E61-I151 WeakPolarHBondContact OE2-CB 3.42Å; E61-I151 WeakPolarHBondContact OE2-CG1 3.43Å; E61-I151 PolarHBondContact OE2-N 3.34Å; E61-A152 WeakPolarHBondContact OE1-CB 3.28Å; E61-A152 PolarHBondContact OE1-N 3.17Å
62	V	88.4	Confident	80	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.1	-47.6	178.2	158.2	0	0	0	0	111.2	V58 E59 F64 L65 R66 L80 Y82 V107 I151	V58-V62 WeakPolarHBondContact O-CB 3.23Å; V58-V62 WeakPolarHBondContact O-CG2 3.46Å; V58-V62 PolarHBondContact O-N 3.35Å; E59-V62 PolarHBondContact O-N 3.14Å; V62-F64 VanDerWaalsContact C-N 3.34Å; V62-F64 PolarHBondContact O-N 3.19Å; V62-L65 PolarHBondContact O-N 3.13Å; V62-L65 VanDerWaalsContact O-N 3.14Å; V62-R66 WeakPolarHBondContact O-CG 3.33Å; V62-R66 PolarHBondContact O-N 3.47Å; V62-L80 HydrophobicContact CG1-CD2 3.78Å; V62-Y82 HydrophobicContact CG1-CE1 4.16Å; V62-Y82 HydrophobicContact CG1-CE2 4.2Å; V62-Y82 WeakPolarHBondContact CG1-OH 3.29Å; V62-Y82 HydrophobicContact CG2-CE1 4.13Å; V62-V107 HydrophobicContact CG2-CG2 4.03Å; V62-I151 HydrophobicContact CG2-CD1 3.71Å
63	D	87.5	Confident	80	Confident	79 Å²	79	64.4 Å²	64.4	42%	0.422	37%	0.365	S	S	.	.	H	α-helix	trans	-72.7	-26.7	-178.3	-85.1	12.5	0	0	0	113.1	E59 E61 R66	E59-D63 PolarHBondContact O-N 2.87Å; E61-D63 PolarHBondContact O-N 3.25Å; D63-R66 WeakPolarHBondContact OD1-CD 3.4Å; D63-R66 IonicContact OD1-CZ 3.09Å; D63-R66 IonicContact OD1-NE 2.91Å; D63-R66 PolarHBondContact OD1-NE 3.45Å; D63-R66 IonicContact OD1-NH2 2.65Å
64	F	85.1	Confident	79.8	Confident	59 Å²	59	70.9 Å²	70.9	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-46.7	164.9	-180	-101.1	0	0	0	111.7	E60 E61 V62 R66 Q67 Y68 Y170	E60-F64 WeakPolarHBondContact O-CB 3.5Å; E60-F64 PolarHBondContact O-N 3.19Å; E60-F64 VanDerWaalsContact O-N 3.09Å; E61-F64 PolarHBondContact O-N 3.43Å; V62-F64 VanDerWaalsContact C-N 3.34Å; V62-F64 PolarHBondContact O-N 3.19Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 2.93Å; F64-Q67 WeakPolarHBondContact O-CB 3.06Å; F64-Q67 WeakPolarHBondContact O-CG 3.25Å; F64-Q67 PolarHBondContact O-N 3.42Å; F64-Y68 HydrophobicContact CD1-CE2 4.25Å; F64-Y68 AromaticContact CE1-CE2 3.65Å; F64-Y68 HydrophobicContact CE1-CE2 3.65Å; F64-Y68 AromaticContact CZ-CE2 3.89Å; F64-Y68 HydrophobicContact CZ-CE2 3.89Å; F64-Y170 HydrophobicContact CD1-CD2 4.03Å; F64-Y170 AromaticContact CD1-CE2 3.45Å; F64-Y170 HydrophobicContact CD1-CE2 3.45Å; F64-Y170 VanDerWaalsContact CD1-CE2 3.45Å; F64-Y170 AromaticContact CE1-CD2 3.47Å; F64-Y170 HydrophobicContact CE1-CD2 3.47Å; F64-Y170 VanDerWaalsContact CE1-CD2 3.47Å; F64-Y170 AromaticContact CE1-CE2 3.41Å; F64-Y170 HydrophobicContact CE1-CE2 3.41Å; F64-Y170 VanDerWaalsContact CE1-CE2 3.41Å; F64-Y170 HydrophobicContact CG-CE2 4.1Å; F64-Y170 AromaticContact CZ-CD2 3.84Å; F64-Y170 HydrophobicContact CZ-CD2 3.84Å; F64-Y170 HydrophobicContact CZ-CE2 4.05Å
65	L	86.3	Confident	80	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-32.9	-179.8	-70.9	171.5	0	0	0	112.9	E61 V62 Q67 Y68 L77 L80 I151 L155 F162	E61-L65 HydrophobicContact CG-CD1 3.92Å; E61-L65 HydrophobicContact CG-CG 4.36Å; E61-L65 WeakPolarHBondContact O-CB 3.24Å; E61-L65 VanDerWaalsContact O-CG 3.29Å; E61-L65 WeakPolarHBondContact O-CG 3.33Å; E61-L65 PolarHBondContact O-N 3.33Å; V62-L65 PolarHBondContact O-N 3.13Å; V62-L65 VanDerWaalsContact O-N 3.14Å; L65-Q67 PolarHBondContact O-N 3.35Å; L65-Q67 VanDerWaalsContact O-N 3.11Å; L65-Y68 PolarHBondContact O-N 3.5Å; L65-Y68 VanDerWaalsContact O-N 3.09Å; L65-L77 HydrophobicContact CB-CD1 4.49Å; L65-L80 HydrophobicContact CB-CD1 3.49Å; L65-L80 VanDerWaalsContact CB-CD1 3.49Å; L65-L80 HydrophobicContact CD1-CD1 4.43Å; L65-I151 HydrophobicContact CD1-CB 3.91Å; L65-I151 HydrophobicContact CD1-CG2 3.59Å; L65-L155 HydrophobicContact CD1-CD1 3.99Å; L65-L155 HydrophobicContact CD2-CD1 4.03Å; L65-F162 HydrophobicContact CD2-CE2 4Å; L65-F162 HydrophobicContact CD2-CZ 3.64Å
66	R	86.4	Confident	80	Confident	104 Å²	104	69.2 Å²	69.2	39%	0.392	38%	0.375	S	S	.	.	H	α-helix	trans	-53.8	-29.4	173.6	-72.4	-179.7	-160.2	-125.5	-1.7	113.4	V62 D63 F64 Y68 C69 L80 Y82	V62-R66 WeakPolarHBondContact O-CG 3.33Å; V62-R66 PolarHBondContact O-N 3.47Å; D63-R66 WeakPolarHBondContact OD1-CD 3.4Å; D63-R66 IonicContact OD1-CZ 3.09Å; D63-R66 IonicContact OD1-NE 2.91Å; D63-R66 PolarHBondContact OD1-NE 3.45Å; D63-R66 IonicContact OD1-NH2 2.65Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 2.93Å; R66-Y68 PolarHBondContact O-N 3.31Å; R66-C69 WeakPolarHBondContact O-CB 3.14Å; R66-C69 PolarHBondContact O-N 3.47Å; R66-C69 VanDerWaalsContact O-N 3.08Å; R66-L80 HydrophobicContact CG-CD2 4.04Å; R66-Y82 VanDerWaalsContact NH2-CE2 3.34Å
67	Q	82.6	Confident	80.3	Confident	118 Å²	118	65.4 Å²	65.4	55%	0.551	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-61.6	-29.4	-179.5	-57.6	-179.3	26.5	0	0	112.3	F64 L65 C69 T70	F64-Q67 WeakPolarHBondContact O-CB 3.06Å; F64-Q67 WeakPolarHBondContact O-CG 3.25Å; F64-Q67 PolarHBondContact O-N 3.42Å; L65-Q67 PolarHBondContact O-N 3.35Å; L65-Q67 VanDerWaalsContact O-N 3.11Å; Q67-C69 VanDerWaalsContact C-N 3.3Å; Q67-C69 PolarHBondContact O-N 3.14Å; Q67-T70 PolarHBondContact O-OG1 2.85Å
68	Y	83.1	Confident	80.6	Confident	44 Å²	44	67.6 Å²	67.6	17%	0.173	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-83.7	1.7	178.8	-61.1	-81.1	0	0	0	114.5	F64 L65 R66 R75 L76 L77	F64-Y68 HydrophobicContact CD1-CE2 4.25Å; F64-Y68 AromaticContact CE1-CE2 3.65Å; F64-Y68 HydrophobicContact CE1-CE2 3.65Å; F64-Y68 AromaticContact CZ-CE2 3.89Å; F64-Y68 HydrophobicContact CZ-CE2 3.89Å; L65-Y68 PolarHBondContact O-N 3.5Å; L65-Y68 VanDerWaalsContact O-N 3.09Å; R66-Y68 PolarHBondContact O-N 3.31Å; Y68-R75 WeakPolarHBondContact O-CA 3.36Å; Y68-L76 HydrophobicContact CD1-CB 4.46Å; Y68-L76 HydrophobicContact CD1-CD1 3.54Å; Y68-L76 HydrophobicContact CD1-CG 3.75Å; Y68-L76 HydrophobicContact CE1-CD1 3.87Å; Y68-L76 HydrophobicContact CE1-CG 4.49Å; Y68-L76 HydrophobicContact CG-CD1 4.16Å; Y68-L76 HydrophobicContact CG-CG 4.3Å; Y68-L76 PolarHBondContact O-N 3.28Å; Y68-L77 PolarHBondContact O-N 3.39Å
69	C	83	Confident	80.8	Confident	30 Å²	30	68.9 Å²	68.9	20%	0.203	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-85.8	-6.3	170.9	-59.8	0	0	0	0	113.1	R66 Q67	R66-C69 WeakPolarHBondContact O-CB 3.14Å; R66-C69 PolarHBondContact O-N 3.47Å; R66-C69 VanDerWaalsContact O-N 3.08Å; Q67-C69 VanDerWaalsContact C-N 3.3Å; Q67-C69 PolarHBondContact O-N 3.14Å
70	T	75	Confident	81	Confident	81 Å²	81	66.6 Å²	66.6	50%	0.497	35%	0.352	S	S	.	.	S	Bend	trans	-70.4	148	-176.3	51.8	0	0	0	0	113	Q67 R75	Q67-T70 PolarHBondContact O-OG1 2.85Å; T70-R75 WeakPolarHBondContact O-CB 3.21Å
71	E	64.8	Low	81.3	Confident	178 Å²	178	64.9 Å²	64.9	83%	0.832	34%	0.34	S	S	*	.	S	Bend	trans	-74.6	138.7	-176.9	-60.5	-162.9	141.2	0	0	113.1
72	G	63.2	Low	81.5	Confident	56 Å²	56	65.3 Å²	65.3	58%	0.577	34%	0.341	S	S	*	.	S	Bend	trans	119.6	-171.6	179.1	0	0	0	0	0	113.5	K74 R75	G72-K74 PolarHBondContact O-N 3.31Å; G72-R75 PolarHBondContact O-N 2.89Å; G72-R75 VanDerWaalsContact O-N 3.12Å
73	G	59.7	Low	81.4	Confident	95 Å²	95	68.3 Å²	68.3	98%	0.979	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	29	-173.9	0	0	0	0	0	116.6
74	K	62.5	Low	81.1	Confident	166 Å²	166	66.5 Å²	66.5	72%	0.722	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	0.4	171.1	-64.3	-177.9	-176.3	171	0	112.9	G72 L76	G72-K74 PolarHBondContact O-N 3.31Å; K74-L76 PolarHBondContact O-N 2.9Å
75	R	81.3	Confident	80.9	Confident	91 Å²	91	70.5 Å²	70.5	34%	0.343	38%	0.377	S	S	.	.			trans	-67.8	114.9	-177.4	-167	179.4	-173.2	167.9	6.7	110.3	Y68 T70 G72 L77 K78	Y68-R75 WeakPolarHBondContact O-CA 3.36Å; T70-R75 WeakPolarHBondContact O-CB 3.21Å; G72-R75 PolarHBondContact O-N 2.89Å; G72-R75 VanDerWaalsContact O-N 3.12Å; R75-L77 WeakPolarHBondContact CG-O 3.35Å; R75-L77 PolarHBondContact NE-O 2.71Å; R75-L77 VanDerWaalsContact NE-O 3.09Å; R75-K78 PolarHBondContact NH2-O 3.33Å
76	L	82.8	Confident	80.7	Confident	8 Å²	8	77.3 Å²	77.3	4%	0.042	40%	0.403	C	S	.	.			trans	-105.2	-22.1	173.8	-49.9	-174.2	0	0	0	112	Y68 K74 C112 F162 N165 V166	Y68-L76 HydrophobicContact CD1-CB 4.46Å; Y68-L76 HydrophobicContact CD1-CD1 3.54Å; Y68-L76 HydrophobicContact CD1-CG 3.75Å; Y68-L76 HydrophobicContact CE1-CD1 3.87Å; Y68-L76 HydrophobicContact CE1-CG 4.49Å; Y68-L76 HydrophobicContact CG-CD1 4.16Å; Y68-L76 HydrophobicContact CG-CG 4.3Å; Y68-L76 PolarHBondContact O-N 3.28Å; K74-L76 PolarHBondContact O-N 2.9Å; L76-C112 PolarHBondContact O-N 3.46Å; L76-C112 PolarHBondContact O-SG 3.03Å; L76-C112 VanDerWaalsContact O-SG 3.39Å; L76-F162 HydrophobicContact CB-CD2 3.87Å; L76-F162 HydrophobicContact CB-CE2 4.49Å; L76-F162 HydrophobicContact CD1-CD2 4.02Å; L76-F162 HydrophobicContact CD1-CE2 4.31Å; L76-N165 HydrophobicContact CD1-CB 4.35Å; L76-N165 HydrophobicContact CD2-CB 3.48Å; L76-N165 VanDerWaalsContact CD2-CB 3.48Å; L76-V166 HydrophobicContact CD1-CB 4.21Å
77	L	88.5	Confident	80.8	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.1	-178.9	-55.7	178.6	0	0	0	109.9	L65 Y68 R75 L80 I109 E110 P111 F162	L65-L77 HydrophobicContact CB-CD1 4.49Å; Y68-L77 PolarHBondContact O-N 3.39Å; R75-L77 WeakPolarHBondContact CG-O 3.35Å; R75-L77 PolarHBondContact NE-O 2.71Å; R75-L77 VanDerWaalsContact NE-O 3.09Å; L77-L80 HydrophobicContact CD1-CD1 4.03Å; L77-I109 HydrophobicContact CD1-CG2 3.94Å; L77-I109 HydrophobicContact CD2-CG2 3.77Å; L77-I109 HydrophobicContact CG-CG2 4.37Å; L77-E110 CarbonylContact C-O 3.59Å; L77-P111 HydrophobicContact CD2-CB 4.39Å; L77-F162 HydrophobicContact CD2-CD2 4.11Å; L77-F162 HydrophobicContact CD2-CE2 4.39Å
78	K	87.3	Confident	80.8	Confident	88 Å²	88	72.3 Å²	72.3	38%	0.383	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-50	170.3	-59.3	178.1	-178.7	110.4	0	109.7	R75 E110 P111 C112 A114	R75-K78 PolarHBondContact NH2-O 3.33Å; K78-E110 WeakPolarHBondContact CA-O 3.45Å; K78-E110 HydrophobicContact CB-CB 3.9Å; K78-E110 WeakPolarHBondContact CB-O 3.2Å; K78-E110 PolarHBondContact N-O 3.27Å; K78-P111 WeakPolarHBondContact CD-O 3.45Å; K78-P111 WeakPolarHBondContact CE-O 3.28Å; K78-P111 WeakPolarHBondContact CG-O 3.42Å; K78-P111 PolarHBondContact NZ-O 3.35Å; K78-C112 WeakPolarHBondContact CE-O 3.33Å; K78-C112 PolarHBondContact NZ-O 2.93Å; K78-A114 PolarHBondContact NZ-O 3.45Å; K78-A114 VanDerWaalsContact NZ-O 3.1Å
79	S	89.4	Confident	80.2	Confident	29 Å²	29	76.9 Å²	76.9	20%	0.203	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	161.8	172.5	80	0	0	0	0	111.9	R81 E110	S79-R81 PolarHBondContact OG-NH1 3.42Å; S79-E110 WeakPolarHBondContact CB-OE2 3.08Å; S79-E110 PolarHBondContact O-N 2.9Å; S79-E110 PolarHBondContact OG-OE1 2.79Å; S79-E110 PolarHBondContact OG-OE2 3.36Å
80	L	92.4	Very high	79.7	Confident	19 Å²	19	79.5 Å²	79.5	10%	0.099	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	126	170.8	-172.6	158.7	0	0	0	107.6	V62 L65 R66 L77 V107 V108 I109	V62-L80 HydrophobicContact CG1-CD2 3.78Å; L65-L80 HydrophobicContact CB-CD1 3.49Å; L65-L80 VanDerWaalsContact CB-CD1 3.49Å; L65-L80 HydrophobicContact CD1-CD1 4.43Å; R66-L80 HydrophobicContact CG-CD2 4.04Å; L77-L80 HydrophobicContact CD1-CD1 4.03Å; L80-V107 HydrophobicContact CD2-CG1 3.88Å; L80-V107 HydrophobicContact CG-CG1 4.07Å; L80-V108 WeakPolarHBondContact CA-O 3.28Å; L80-I109 HydrophobicContact CD1-CD1 3.95Å; L80-I109 HydrophobicContact CD1-CG1 4.28Å; L80-I109 HydrophobicContact CG-CD1 4.28Å; L80-I109 HydrophobicContact CG-CG1 4.08Å
81	R	90	Very high	80	Confident	107 Å²	107	76.8 Å²	76.8	40%	0.404	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.8	179.1	60.6	-174.5	177.4	-81.3	3.3	111.7	S79 V107 V108 E110	S79-R81 PolarHBondContact OG-NH1 3.42Å; R81-V107 CarbonylContact O-C 3.57Å; R81-V107 WeakPolarHBondContact O-CA 3.17Å; R81-V107 WeakPolarHBondContact O-CG1 3.18Å; R81-V108 HydrophobicContact CG-CB 4.01Å; R81-V108 PolarHBondContact N-O 3.2Å; R81-V108 PolarHBondContact O-N 2.99Å; R81-E110 IonicContact CZ-OE1 2.62Å; R81-E110 IonicContact NH1-OE1 3.61Å; R81-E110 PolarHBondContact NH1-OE1 3.45Å; R81-E110 IonicContact NH1-OE2 3.75Å; R81-E110 IonicContact NH2-OE1 3.11Å; R81-E110 PolarHBondContact NH2-OE1 2.94Å
82	Y	91.5	Very high	80.9	Confident	18 Å²	18	68.9 Å²	68.9	7%	0.071	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	158.6	162.3	-68.1	-60.2	0	0	0	110	V62 R66 S84 C105 Y106 V107	V62-Y82 HydrophobicContact CG1-CE1 4.16Å; V62-Y82 HydrophobicContact CG1-CE2 4.2Å; V62-Y82 WeakPolarHBondContact CG1-OH 3.29Å; V62-Y82 HydrophobicContact CG2-CE1 4.13Å; R66-Y82 VanDerWaalsContact NH2-CE2 3.34Å; Y82-S84 VanDerWaalsContact C-N 3.32Å; Y82-S84 WeakPolarHBondContact CB-O 3.32Å; Y82-C105 HydrophobicContact CD1-CB 4.38Å; Y82-C105 HydrophobicContact CE1-CB 4.22Å; Y82-Y106 WeakPolarHBondContact CA-O 3.44Å; Y82-V107 HydrophobicContact CD1-CG2 3.93Å; Y82-V107 HydrophobicContact CE1-CG2 3.95Å
83	T	86.4	Confident	82.2	Confident	63 Å²	63	68.2 Å²	68.2	39%	0.387	36%	0.363	S	S	.	.	S	Bend	trans	-79.3	-18.3	166.7	62.3	0	0	0	0	112.7	Y106 V108	T83-Y106 PolarHBondContact N-O 2.95Å; T83-Y106 VanDerWaalsContact N-O 3.1Å; T83-V108 HydrophobicContact CG2-CG2 3.8Å
84	S	81.7	Confident	83.5	Confident	40 Å²	40	63.7 Å²	63.7	28%	0.28	32%	0.317	S	S	.	.			trans	-136	126	177.2	172.2	0	0	0	0	110.3	Y82 Y86	Y82-S84 VanDerWaalsContact C-N 3.32Å; Y82-S84 WeakPolarHBondContact CB-O 3.32Å; S84-Y86 VanDerWaalsContact C-N 3.3Å; S84-Y86 PolarHBondContact OG-N 3.3Å; S84-Y86 VanDerWaalsContact OG-N 3.15Å; S84-Y86 PolarHBondContact OG-O 3.09Å
85	D	81.3	Confident	84.5	Confident	144 Å²	144	56.7 Å²	56.7	77%	0.77	29%	0.288	S	S	*	.			trans	-77.9	-17	169.9	-69.7	-44.5	0	0	0	112.6	R93	D85-R93 PolarHBondContact O-NH1 2.97Å; D85-R93 VanDerWaalsContact O-NH1 3.09Å
86	Y	82.4	Confident	84.3	Confident	144 Å²	144	55.2 Å²	55.2	57%	0.565	29%	0.291	S	S	*	.			trans	-73.7	131.8	177.1	-173.3	-87.3	0	0	0	111.3	S84 F88	S84-Y86 VanDerWaalsContact C-N 3.3Å; S84-Y86 PolarHBondContact OG-N 3.3Å; S84-Y86 VanDerWaalsContact OG-N 3.15Å; S84-Y86 PolarHBondContact OG-O 3.09Å; Y86-F88 HydrophobicContact CD1-CD2 4.03Å; Y86-F88 HydrophobicContact CD1-CE1 4.37Å; Y86-F88 AromaticContact CD1-CE2 3.73Å; Y86-F88 HydrophobicContact CD1-CE2 3.73Å; Y86-F88 HydrophobicContact CD1-CG 4.46Å; Y86-F88 AromaticContact CD1-CZ 3.9Å; Y86-F88 HydrophobicContact CD1-CZ 3.9Å; Y86-F88 AromaticContact CE1-CD1 3.79Å; Y86-F88 HydrophobicContact CE1-CD1 3.79Å; Y86-F88 AromaticContact CE1-CD2 3.95Å; Y86-F88 HydrophobicContact CE1-CD2 3.95Å; Y86-F88 AromaticContact CE1-CE1 3.65Å; Y86-F88 HydrophobicContact CE1-CE1 3.65Å; Y86-F88 AromaticContact CE1-CE2 3.82Å; Y86-F88 HydrophobicContact CE1-CE2 3.82Å; Y86-F88 AromaticContact CE1-CG 3.92Å; Y86-F88 HydrophobicContact CE1-CG 3.92Å; Y86-F88 AromaticContact CE1-CZ 3.65Å; Y86-F88 HydrophobicContact CE1-CZ 3.65Å
87	E	88.2	Confident	83.6	Confident	70 Å²	70	63 Å²	63	33%	0.327	32%	0.32	S	S	.	.			trans	-122.3	136.3	178.2	-168.2	177.3	113.9	0	0	110.3	R93	E87-R93 HydrophobicContact CB-CG 4.02Å; E87-R93 HydrophobicContact CG-CG 3.95Å; E87-R93 IonicContact OE2-CZ 4Å; E87-R93 IonicContact OE2-NE 2.71Å; E87-R93 PolarHBondContact OE2-NE 3.14Å; E87-R93 IonicContact OE2-NH2 3.18Å; E87-R93 PolarHBondContact OE2-NH2 3.46Å
88	F	81.1	Confident	83.3	Confident	47 Å²	47	65.4 Å²	65.4	21%	0.206	33%	0.328	C	S	.	.			trans	-85.2	158.3	179	-70	-91.1	0	0	0	110.8	Y86 N90 G91 C92 A94 P96	Y86-F88 HydrophobicContact CD1-CD2 4.03Å; Y86-F88 HydrophobicContact CD1-CE1 4.37Å; Y86-F88 AromaticContact CD1-CE2 3.73Å; Y86-F88 HydrophobicContact CD1-CE2 3.73Å; Y86-F88 HydrophobicContact CD1-CG 4.46Å; Y86-F88 AromaticContact CD1-CZ 3.9Å; Y86-F88 HydrophobicContact CD1-CZ 3.9Å; Y86-F88 AromaticContact CE1-CD1 3.79Å; Y86-F88 HydrophobicContact CE1-CD1 3.79Å; Y86-F88 AromaticContact CE1-CD2 3.95Å; Y86-F88 HydrophobicContact CE1-CD2 3.95Å; Y86-F88 AromaticContact CE1-CE1 3.65Å; Y86-F88 HydrophobicContact CE1-CE1 3.65Å; Y86-F88 AromaticContact CE1-CE2 3.82Å; Y86-F88 HydrophobicContact CE1-CE2 3.82Å; Y86-F88 AromaticContact CE1-CG 3.92Å; Y86-F88 HydrophobicContact CE1-CG 3.92Å; Y86-F88 AromaticContact CE1-CZ 3.65Å; Y86-F88 HydrophobicContact CE1-CZ 3.65Å; F88-N90 VanDerWaalsContact CB-OD1 3.31Å; F88-N90 WeakPolarHBondContact CB-OD1 3.26Å; F88-N90 PolarHBondContact O-N 2.96Å; F88-G91 PolarHBondContact O-N 3.02Å; F88-C92 WeakPolarHBondContact CD2-O 3.48Å; F88-C92 PolarHBondContact N-O 2.83Å; F88-A94 WeakPolarHBondContact CE2-O 3.35Å; F88-P96 HydrophobicContact CD1-CG 4.28Å; F88-P96 HydrophobicContact CE1-CG 3.65Å; F88-P96 HydrophobicContact CZ-CG 3.96Å
89	P	70.6	Confident	83	Confident	140 Å²	140	63.1 Å²	63.1	91%	0.909	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	3.6	-178.8	-25.8	35.7	0	0	0	117.1
90	N	73.8	Confident	81.8	Confident	86 Å²	86	69.1 Å²	69.1	46%	0.46	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	9.6	174.1	62.9	-4.4	0	0	0	113.4	F88 C92 Q99	F88-N90 VanDerWaalsContact CB-OD1 3.31Å; F88-N90 WeakPolarHBondContact CB-OD1 3.26Å; F88-N90 PolarHBondContact O-N 2.96Å; N90-C92 VanDerWaalsContact C-N 3.25Å; N90-C92 PolarHBondContact O-N 3.13Å; N90-C92 WeakPolarHBondContact OD1-CB 3.1Å; N90-C92 PolarHBondContact OD1-N 2.83Å; N90-Q99 PolarHBondContact ND2-OE1 3.42Å
91	G	80.2	Confident	81	Confident	23 Å²	23	73.7 Å²	73.7	24%	0.237	37%	0.372	C	S	.	.	S	Bend	trans	78.5	-1.9	-178.8	0	0	0	0	0	114.8	P55 F88	P55-G91 WeakPolarHBondContact CB-O 3.29Å; F88-G91 PolarHBondContact O-N 3.02Å
92	C	85.5	Confident	80.5	Confident	13 Å²	13	69.6 Å²	69.6	9%	0.088	36%	0.363	C	S	.	.			trans	-79.2	146.7	174.9	-68.5	0	0	0	0	111	F88 N90 Q99 I104	F88-C92 WeakPolarHBondContact CD2-O 3.48Å; F88-C92 PolarHBondContact N-O 2.83Å; N90-C92 VanDerWaalsContact C-N 3.25Å; N90-C92 PolarHBondContact O-N 3.13Å; N90-C92 WeakPolarHBondContact OD1-CB 3.1Å; N90-C92 PolarHBondContact OD1-N 2.83Å; C92-Q99 HydrophobicContact CB-CG 4Å; C92-I104 CarbonylContact C-O 3.57Å; C92-I104 WeakPolarHBondContact CA-O 3.37Å
93	R	89.8	Confident	80.4	Confident	41 Å²	41	69.3 Å²	69.3	16%	0.155	36%	0.363	C	S	.	.			trans	-111.8	-10.8	172.4	-63.4	173.5	172.3	-105.4	-4.6	112.8	D85 E87 I104 C105	D85-R93 PolarHBondContact O-NH1 2.97Å; D85-R93 VanDerWaalsContact O-NH1 3.09Å; E87-R93 HydrophobicContact CB-CG 4.02Å; E87-R93 HydrophobicContact CG-CG 3.95Å; E87-R93 IonicContact OE2-CZ 4Å; E87-R93 IonicContact OE2-NE 2.71Å; E87-R93 PolarHBondContact OE2-NE 3.14Å; E87-R93 IonicContact OE2-NH2 3.18Å; E87-R93 PolarHBondContact OE2-NH2 3.46Å; R93-I104 PolarHBondContact N-O 3.25Å; R93-C105 HydrophobicContact CB-CB 3.84Å
94	A	87.6	Confident	80.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-69.9	147.2	166.5	0	0	0	0	0	110.9	F88 R98 Q99 E103 I104 Y106	F88-A94 WeakPolarHBondContact CE2-O 3.35Å; A94-R98 HydrophobicContact CB-CB 4.49Å; A94-Q99 HydrophobicContact CB-CG 4.38Å; A94-Q99 WeakPolarHBondContact O-CG 3.43Å; A94-Q99 PolarHBondContact O-NE2 3.33Å; A94-E103 HydrophobicContact CB-CB 4.35Å; A94-I104 WeakPolarHBondContact CB-O 3.25Å; A94-I104 PolarHBondContact N-O 3.49Å; A94-Y106 HydrophobicContact CB-CE2 3.86Å
95	P	82.4	Confident	81.1	Confident	19 Å²	19	65 Å²	65	12%	0.123	33%	0.334	C	S	.	.			trans	-71	157.2	-179.9	29.7	-35.7	0	0	0	112.3	W97 R98 Q99	P95-W97 VanDerWaalsContact C-N 3.3Å; P95-W97 HydrophobicContact CB-CD2 4Å; P95-W97 HydrophobicContact CB-CE3 3.97Å; P95-W97 HydrophobicContact CB-CH2 3.55Å; P95-W97 HydrophobicContact CB-CZ2 3.57Å; P95-W97 HydrophobicContact CB-CZ3 3.75Å; P95-W97 HydrophobicContact CG-CD2 4.25Å; P95-W97 HydrophobicContact CG-CH2 4.19Å; P95-W97 HydrophobicContact CG-CZ2 3.67Å; P95-W97 PolarHBondContact O-N 3.16Å; P95-W97 VanDerWaalsContact O-N 3.11Å; P95-R98 HydrophobicContact CG-CB 4.18Å; P95-R98 HydrophobicContact CG-CG 3.95Å; P95-R98 WeakPolarHBondContact O-CA 3.42Å; P95-R98 PolarHBondContact O-N 3.48Å; P95-Q99 PolarHBondContact O-N 2.84Å
96	P	76.6	Confident	81.7	Confident	61 Å²	61	58.3 Å²	58.3	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-34.9	-166.1	-27.4	36.9	0	0	0	114.7	F88 R98 Q99 L100	F88-P96 HydrophobicContact CD1-CG 4.28Å; F88-P96 HydrophobicContact CE1-CG 3.65Å; F88-P96 HydrophobicContact CZ-CG 3.96Å; P96-R98 VanDerWaalsContact C-N 3.28Å; P96-R98 PolarHBondContact O-N 3.29Å; P96-Q99 PolarHBondContact O-N 2.83Å; P96-L100 PolarHBondContact O-N 3.31Å
97	W	68.8	Low	82.2	Confident	172 Å²	172	51.5 Å²	51.5	65%	0.652	27%	0.272	S	S	*	.	H	α-helix	trans	-69.3	-23.1	177.3	60.1	93.3	0	0	0	113.6	P95	P95-W97 VanDerWaalsContact C-N 3.3Å; P95-W97 HydrophobicContact CB-CD2 4Å; P95-W97 HydrophobicContact CB-CE3 3.97Å; P95-W97 HydrophobicContact CB-CH2 3.55Å; P95-W97 HydrophobicContact CB-CZ2 3.57Å; P95-W97 HydrophobicContact CB-CZ3 3.75Å; P95-W97 HydrophobicContact CG-CD2 4.25Å; P95-W97 HydrophobicContact CG-CH2 4.19Å; P95-W97 HydrophobicContact CG-CZ2 3.67Å; P95-W97 PolarHBondContact O-N 3.16Å; P95-W97 VanDerWaalsContact O-N 3.11Å
98	R	82.4	Confident	82.4	Confident	49 Å²	49	48.4 Å²	48.4	19%	0.185	26%	0.257	C	S	.	.	H	α-helix	trans	-89.4	-29.7	171.9	-63.5	-64.2	-64	-149.8	1.5	112.1	A94 P95 P96 L100 L101 E103 Y106 Y141	A94-R98 HydrophobicContact CB-CB 4.49Å; P95-R98 HydrophobicContact CG-CB 4.18Å; P95-R98 HydrophobicContact CG-CG 3.95Å; P95-R98 WeakPolarHBondContact O-CA 3.42Å; P95-R98 PolarHBondContact O-N 3.48Å; P96-R98 VanDerWaalsContact C-N 3.28Å; P96-R98 PolarHBondContact O-N 3.29Å; R98-L100 PolarHBondContact O-N 3.35Å; R98-L101 WeakPolarHBondContact O-CA 3.39Å; R98-L101 WeakPolarHBondContact O-CB 3.35Å; R98-L101 PolarHBondContact O-N 2.84Å; R98-E103 IonicContact CZ-OE1 3.71Å; R98-E103 IonicContact CZ-OE2 3.55Å; R98-E103 VanDerWaalsContact CZ-OE2 3.23Å; R98-E103 IonicContact NE-OE1 2.68Å; R98-E103 IonicContact NE-OE2 2.95Å; R98-E103 PolarHBondContact NE-OE2 3.38Å; R98-E103 IonicContact NH2-OE1 3.35Å; R98-E103 PolarHBondContact NH2-OE1 2.65Å; R98-E103 IonicContact NH2-OE2 2.63Å; R98-E103 PolarHBondContact NH2-OE2 2.78Å; R98-E103 PolarHBondContact O-N 2.91Å; R98-Y106 VanDerWaalsContact CB-OH 3.24Å; R98-Y106 WeakPolarHBondContact CB-OH 3.23Å; R98-Y106 WeakPolarHBondContact CG-OH 3.36Å; R98-Y141 VanDerWaalsContact CZ-CB 3.46Å; R98-Y141 VanDerWaalsContact NH2-CB 3.29Å; R98-Y141 PolarHBondContact NH2-O 3.42Å
99	Q	81.6	Confident	83	Confident	41 Å²	41	46.1 Å²	46.1	19%	0.192	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-32.5	169.3	-62.7	-179.8	21.9	0	0	112.2	N90 C92 A94 P95 P96 L101 G102	N90-Q99 PolarHBondContact ND2-OE1 3.42Å; C92-Q99 HydrophobicContact CB-CG 4Å; A94-Q99 HydrophobicContact CB-CG 4.38Å; A94-Q99 WeakPolarHBondContact O-CG 3.43Å; A94-Q99 PolarHBondContact O-NE2 3.33Å; P95-Q99 PolarHBondContact O-N 2.84Å; P96-Q99 PolarHBondContact O-N 2.83Å; Q99-L101 PolarHBondContact O-N 3.16Å; Q99-G102 WeakPolarHBondContact O-CA 3.39Å; Q99-G102 PolarHBondContact O-N 2.99Å
100	L	62.6	Low	84	Confident	154 Å²	154	41.7 Å²	41.7	81%	0.806	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.3	172	-68.9	174.8	0	0	0	113.9	P96 R98 G102	P96-L100 PolarHBondContact O-N 3.31Å; R98-L100 PolarHBondContact O-N 3.35Å; L100-G102 VanDerWaalsContact C-N 3.25Å
101	L	75.8	Confident	84.8	Confident	115 Å²	115	37.6 Å²	37.6	60%	0.602	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	1.7	172.1	-52.2	179.4	0	0	0	112.3	R98 Q99	R98-L101 WeakPolarHBondContact O-CA 3.39Å; R98-L101 WeakPolarHBondContact O-CB 3.35Å; R98-L101 PolarHBondContact O-N 2.84Å; Q99-L101 PolarHBondContact O-N 3.16Å
102	G	80.8	Confident	85.1	Confident	21 Å²	21	38.5 Å²	38.5	22%	0.216	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	15.1	-179.4	0	0	0	0	0	114.6	Q99 L100 S122 S123	Q99-G102 WeakPolarHBondContact O-CA 3.39Å; Q99-G102 PolarHBondContact O-N 2.99Å; L100-G102 VanDerWaalsContact C-N 3.25Å; G102-S122 PolarHBondContact O-OG 2.96Å; G102-S122 VanDerWaalsContact O-OG 3.06Å; G102-S123 WeakPolarHBondContact O-CB 3.34Å; G102-S123 PolarHBondContact O-N 2.97Å; G102-S123 PolarHBondContact O-OG 2.93Å
103	E	89.6	Confident	85.2	Confident	13 Å²	13	41.4 Å²	41.4	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	143.1	178.1	-63.9	-179.4	159	0	0	112.3	A94 R98 Y106 T120	A94-E103 HydrophobicContact CB-CB 4.35Å; R98-E103 IonicContact CZ-OE1 3.71Å; R98-E103 IonicContact CZ-OE2 3.55Å; R98-E103 VanDerWaalsContact CZ-OE2 3.23Å; R98-E103 IonicContact NE-OE1 2.68Å; R98-E103 IonicContact NE-OE2 2.95Å; R98-E103 PolarHBondContact NE-OE2 3.38Å; R98-E103 IonicContact NH2-OE1 3.35Å; R98-E103 PolarHBondContact NH2-OE1 2.65Å; R98-E103 IonicContact NH2-OE2 2.63Å; R98-E103 PolarHBondContact NH2-OE2 2.78Å; R98-E103 PolarHBondContact O-N 2.91Å; E103-Y106 PolarHBondContact OE2-OH 3.17Å; E103-T120 HydrophobicContact CB-CG2 4.35Å; E103-T120 HydrophobicContact CG-CG2 3.91Å
104	I	90.1	Very high	85	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-55.5	-169.3	-64.3	172.1	0	0	0	110.4	L53 P55 V58 C92 R93 A94 C121	L53-I104 HydrophobicContact CB-CD1 4.1Å; P55-I104 HydrophobicContact CB-CG2 3.95Å; P55-I104 HydrophobicContact CG-CG2 4.14Å; V58-I104 HydrophobicContact CG2-CD1 4.12Å; V58-I104 HydrophobicContact CG2-CG2 4.47Å; C92-I104 CarbonylContact C-O 3.57Å; C92-I104 WeakPolarHBondContact CA-O 3.37Å; R93-I104 PolarHBondContact N-O 3.25Å; A94-I104 WeakPolarHBondContact CB-O 3.25Å; A94-I104 PolarHBondContact N-O 3.49Å; I104-C121 WeakPolarHBondContact CB-O 3.47Å; I104-C121 PolarHBondContact N-O 2.85Å
105	C	92.5	Very high	85	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	170.9	-179.3	66.9	0	0	0	0	110.8	V58 Y82 R93 C121	V58-C105 VanDerWaalsContact CG1-SG 3.57Å; Y82-C105 HydrophobicContact CD1-CB 4.38Å; Y82-C105 HydrophobicContact CE1-CB 4.22Å; R93-C105 HydrophobicContact CB-CB 3.84Å; C105-C121 PolarHBondContact N-O 3.23Å; C105-C121 PolarHBondContact O-N 3.45Å
106	Y	93.2	Very high	85.3	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.02	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.3	171.7	-34.6	-82.7	0	0	0	110.2	Y82 T83 A94 R98 E103 I119 T120 Y141	Y82-Y106 WeakPolarHBondContact CA-O 3.44Å; T83-Y106 PolarHBondContact N-O 2.95Å; T83-Y106 VanDerWaalsContact N-O 3.1Å; A94-Y106 HydrophobicContact CB-CE2 3.86Å; R98-Y106 VanDerWaalsContact CB-OH 3.24Å; R98-Y106 WeakPolarHBondContact CB-OH 3.23Å; R98-Y106 WeakPolarHBondContact CG-OH 3.36Å; E103-Y106 PolarHBondContact OE2-OH 3.17Å; Y106-I119 CarbonylContact C-O 3.5Å; Y106-I119 VanDerWaalsContact CA-O 3.22Å; Y106-I119 WeakPolarHBondContact CA-O 3.38Å; Y106-T120 HydrophobicContact CD1-CG2 3.81Å; Y106-T120 WeakPolarHBondContact CD1-OG1 3.35Å; Y106-T120 HydrophobicContact CE1-CG2 3.78Å; Y106-Y141 AromaticContact CD1-CD1 3.78Å; Y106-Y141 HydrophobicContact CD1-CD1 3.78Å; Y106-Y141 HydrophobicContact CD1-CE1 4.1Å; Y106-Y141 HydrophobicContact CD2-CD1 4.17Å; Y106-Y141 AromaticContact CD2-CE1 3.62Å; Y106-Y141 HydrophobicContact CD2-CE1 3.62Å; Y106-Y141 AromaticContact CE1-CD1 3.41Å; Y106-Y141 HydrophobicContact CE1-CD1 3.41Å; Y106-Y141 VanDerWaalsContact CE1-CD1 3.41Å; Y106-Y141 AromaticContact CE1-CE1 3.82Å; Y106-Y141 HydrophobicContact CE1-CE1 3.82Å; Y106-Y141 HydrophobicContact CE1-CG 4.3Å; Y106-Y141 AromaticContact CE2-CD1 3.81Å; Y106-Y141 HydrophobicContact CE2-CD1 3.81Å; Y106-Y141 AromaticContact CE2-CE1 3.27Å; Y106-Y141 HydrophobicContact CE2-CE1 3.27Å; Y106-Y141 HydrophobicContact CG-CD1 4.14Å; Y106-Y141 HydrophobicContact CG-CE1 4Å; Y106-Y141 AromaticContact CZ-CD1 3.41Å; Y106-Y141 VanDerWaalsContact CZ-CD1 3.41Å; Y106-Y141 AromaticContact CZ-CE1 3.38Å
107	V	92.8	Very high	86.1	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.2	-174.4	-166.9	0	0	0	0	108.6	V62 L80 R81 Y82 I109 I119	V62-V107 HydrophobicContact CG2-CG2 4.03Å; L80-V107 HydrophobicContact CD2-CG1 3.88Å; L80-V107 HydrophobicContact CG-CG1 4.07Å; R81-V107 CarbonylContact O-C 3.57Å; R81-V107 WeakPolarHBondContact O-CA 3.17Å; R81-V107 WeakPolarHBondContact O-CG1 3.18Å; Y82-V107 HydrophobicContact CD1-CG2 3.93Å; Y82-V107 HydrophobicContact CE1-CG2 3.95Å; V107-I109 HydrophobicContact CB-CG1 4.41Å; V107-I109 HydrophobicContact CG1-CD1 4.04Å; V107-I109 HydrophobicContact CG1-CG1 3.67Å; V107-I119 PolarHBondContact N-O 3Å; V107-I119 PolarHBondContact O-N 3.16Å
108	V	92.8	Very high	87.2	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122	167.3	-169.9	0	0	0	0	108	L80 R81 T83 L117 Y118	L80-V108 WeakPolarHBondContact CA-O 3.28Å; R81-V108 HydrophobicContact CG-CB 4.01Å; R81-V108 PolarHBondContact N-O 3.2Å; R81-V108 PolarHBondContact O-N 2.99Å; T83-V108 HydrophobicContact CG2-CG2 3.8Å; V108-L117 WeakPolarHBondContact CA-O 3.17Å; V108-Y118 HydrophobicContact CG1-CD1 4.26Å; V108-Y118 HydrophobicContact CG1-CE1 4.11Å; V108-Y118 HydrophobicContact CG2-CD1 3.67Å; V108-Y118 HydrophobicContact CG2-CE1 3.83Å
109	I	93.4	Very high	87.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.9	-179.6	-46.6	-169	0	0	0	108.8	L77 L80 V107 P111 L117 I119 I151 L155	L77-I109 HydrophobicContact CD1-CG2 3.94Å; L77-I109 HydrophobicContact CD2-CG2 3.77Å; L77-I109 HydrophobicContact CG-CG2 4.37Å; L80-I109 HydrophobicContact CD1-CD1 3.95Å; L80-I109 HydrophobicContact CD1-CG1 4.28Å; L80-I109 HydrophobicContact CG-CD1 4.28Å; L80-I109 HydrophobicContact CG-CG1 4.08Å; V107-I109 HydrophobicContact CB-CG1 4.41Å; V107-I109 HydrophobicContact CG1-CD1 4.04Å; V107-I109 HydrophobicContact CG1-CG1 3.67Å; I109-P111 WeakPolarHBondContact O-CD 3.49Å; I109-L117 PolarHBondContact N-O 2.83Å; I109-L117 WeakPolarHBondContact O-CB 3.4Å; I109-L117 PolarHBondContact O-N 2.67Å; I109-I119 HydrophobicContact CB-CD1 4.49Å; I109-I119 HydrophobicContact CD1-CD1 3.76Å; I109-I119 HydrophobicContact CG1-CD1 4Å; I109-I151 HydrophobicContact CD1-CG2 3.58Å; I109-L155 HydrophobicContact CB-CD2 4.44Å; I109-L155 HydrophobicContact CD1-CD1 4.13Å; I109-L155 HydrophobicContact CD1-CD2 4.37Å; I109-L155 HydrophobicContact CG2-CD2 3.97Å
110	E	92.1	Very high	88.3	Confident	46 Å²	46	38.2 Å²	38.2	22%	0.215	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	101	176.9	-71.9	152.9	-158.9	0	0	108.3	L77 K78 S79 R81 A116	L77-E110 CarbonylContact C-O 3.59Å; K78-E110 WeakPolarHBondContact CA-O 3.45Å; K78-E110 HydrophobicContact CB-CB 3.9Å; K78-E110 WeakPolarHBondContact CB-O 3.2Å; K78-E110 PolarHBondContact N-O 3.27Å; S79-E110 WeakPolarHBondContact CB-OE2 3.08Å; S79-E110 PolarHBondContact O-N 2.9Å; S79-E110 PolarHBondContact OG-OE1 2.79Å; S79-E110 PolarHBondContact OG-OE2 3.36Å; R81-E110 IonicContact CZ-OE1 2.62Å; R81-E110 IonicContact NH1-OE1 3.61Å; R81-E110 PolarHBondContact NH1-OE1 3.45Å; R81-E110 IonicContact NH1-OE2 3.75Å; R81-E110 IonicContact NH2-OE1 3.11Å; R81-E110 PolarHBondContact NH2-OE1 2.94Å; E110-A116 HydrophobicContact CG-CB 3.67Å
111	P	90.1	Very high	89.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	160.9	176.4	-21	35.2	0	0	0	111.9	L77 K78 I109 D113 A114 E115 L117 L155	L77-P111 HydrophobicContact CD2-CB 4.39Å; K78-P111 WeakPolarHBondContact CD-O 3.45Å; K78-P111 WeakPolarHBondContact CE-O 3.28Å; K78-P111 WeakPolarHBondContact CG-O 3.42Å; K78-P111 PolarHBondContact NZ-O 3.35Å; I109-P111 WeakPolarHBondContact O-CD 3.49Å; P111-D113 VanDerWaalsContact C-N 3.31Å; P111-D113 PolarHBondContact O-N 3.41Å; P111-A114 HydrophobicContact CB-CB 4.06Å; P111-A114 HydrophobicContact CG-CB 4.03Å; P111-E115 VanDerWaalsContact CD-O 3.29Å; P111-E115 WeakPolarHBondContact CD-O 3.25Å; P111-L117 HydrophobicContact CG-CD1 3.98Å; P111-L117 HydrophobicContact CG-CG 4.37Å; P111-L155 HydrophobicContact CG-CD2 4.3Å
112	C	86.5	Confident	90.5	Very high	42 Å²	42	25.5 Å²	25.5	28%	0.284	14%	0.142	S	C	.	.	S	Bend	trans	-62	-35.9	177.3	-78.9	0	0	0	0	113.7	L76 K78	L76-C112 PolarHBondContact O-N 3.46Å; L76-C112 PolarHBondContact O-SG 3.03Å; L76-C112 VanDerWaalsContact O-SG 3.39Å; K78-C112 WeakPolarHBondContact CE-O 3.33Å; K78-C112 PolarHBondContact NZ-O 2.93Å
113	D	87.3	Confident	90.6	Very high	75 Å²	75	25.8 Å²	25.8	40%	0.401	14%	0.14	S	C	.	.	S	Bend	trans	-103.9	-12.8	-172.5	60.1	-21.6	0	0	0	115.1	P111 S159 P160 H161	P111-D113 VanDerWaalsContact C-N 3.31Å; P111-D113 PolarHBondContact O-N 3.41Å; D113-S159 VanDerWaalsContact CG-OG 3.24Å; D113-S159 VanDerWaalsContact OD1-CB 3.31Å; D113-S159 WeakPolarHBondContact OD1-CB 3.44Å; D113-S159 PolarHBondContact OD1-OG 3.12Å; D113-S159 PolarHBondContact OD2-OG 2.99Å; D113-P160 WeakPolarHBondContact OD2-CD 3.35Å; D113-H161 HydrophobicContact CB-CB 3.88Å; D113-H161 VanDerWaalsContact CG-CB 3.43Å; D113-H161 WeakPolarHBondContact OD2-CB 3.49Å; D113-H161 PolarHBondContact OD2-N 2.59Å
114	A	86.1	Confident	90.1	Very high	24 Å²	24	29.1 Å²	29.1	20%	0.198	17%	0.165	C	C	.	.	S	Bend	trans	-119	177.6	-177.3	0	0	0	0	0	113.5	K78 P111	K78-A114 PolarHBondContact NZ-O 3.45Å; K78-A114 VanDerWaalsContact NZ-O 3.1Å; P111-A114 HydrophobicContact CB-CB 4.06Å; P111-A114 HydrophobicContact CG-CB 4.03Å
115	E	87.3	Confident	89.9	Confident	168 Å²	168	29.1 Å²	29.1	79%	0.785	17%	0.167	S	C	*	.			trans	-77.3	174.2	173.3	-61.5	-167.7	163	0	0	112.6	P111 L117	P111-E115 VanDerWaalsContact CD-O 3.29Å; P111-E115 WeakPolarHBondContact CD-O 3.25Å; E115-L117 PolarHBondContact O-N 2.81Å
116	A	89.6	Confident	89.8	Confident	42 Å²	42	28.9 Å²	28.9	35%	0.347	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-68.7	120.7	178.3	0	0	0	0	0	111.5	E110 Y118	E110-A116 HydrophobicContact CG-CB 3.67Å; A116-Y118 HydrophobicContact CB-CE2 4.37Å
117	L	92	Very high	89.8	Confident	17 Å²	17	29 Å²	29	9%	0.089	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.2	179	-53	-177.7	0	0	0	109.9	V108 I109 P111 E115 I119 L128 L154 L155 V158	V108-L117 WeakPolarHBondContact CA-O 3.17Å; I109-L117 PolarHBondContact N-O 2.83Å; I109-L117 WeakPolarHBondContact O-CB 3.4Å; I109-L117 PolarHBondContact O-N 2.67Å; P111-L117 HydrophobicContact CG-CD1 3.98Å; P111-L117 HydrophobicContact CG-CG 4.37Å; E115-L117 PolarHBondContact O-N 2.81Å; L117-I119 HydrophobicContact CB-CD1 4.25Å; L117-I119 HydrophobicContact CB-CG1 4.25Å; L117-L128 HydrophobicContact CB-CD2 3.9Å; L117-L128 HydrophobicContact CD2-CD2 4.22Å; L117-L128 HydrophobicContact CG-CD2 4.47Å; L117-L154 HydrophobicContact CD1-CD2 4.23Å; L117-L155 HydrophobicContact CD1-CD2 4.01Å; L117-V158 HydrophobicContact CD1-CB 4.09Å; L117-V158 HydrophobicContact CD1-CG1 3.72Å; L117-V158 HydrophobicContact CD2-CG1 3.78Å; L117-V158 HydrophobicContact CG-CG1 4.38Å
118	Y	93.1	Very high	89.7	Confident	64 Å²	64	30.7 Å²	30.7	25%	0.251	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.1	171.9	-62	-98.9	0	0	0	108.5	V108 A116 L128 N129 L132	V108-Y118 HydrophobicContact CG1-CD1 4.26Å; V108-Y118 HydrophobicContact CG1-CE1 4.11Å; V108-Y118 HydrophobicContact CG2-CD1 3.67Å; V108-Y118 HydrophobicContact CG2-CE1 3.83Å; A116-Y118 HydrophobicContact CB-CE2 4.37Å; Y118-L128 CarbonylContact O-C 3.52Å; Y118-L128 WeakPolarHBondContact O-CA 3.45Å; Y118-N129 WeakPolarHBondContact CB-OD1 3.46Å; Y118-N129 PolarHBondContact O-N 3.36Å; Y118-L132 HydrophobicContact CE1-CD1 3.94Å; Y118-L132 HydrophobicContact CE1-CG 4Å
119	I	94	Very high	89.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.6	-167.8	-65.1	172.1	0	0	0	109.5	Y106 V107 I109 L117 V126 F127 L128 I151 L154	Y106-I119 CarbonylContact C-O 3.5Å; Y106-I119 VanDerWaalsContact CA-O 3.22Å; Y106-I119 WeakPolarHBondContact CA-O 3.38Å; V107-I119 PolarHBondContact N-O 3Å; V107-I119 PolarHBondContact O-N 3.16Å; I109-I119 HydrophobicContact CB-CD1 4.49Å; I109-I119 HydrophobicContact CD1-CD1 3.76Å; I109-I119 HydrophobicContact CG1-CD1 4Å; L117-I119 HydrophobicContact CB-CD1 4.25Å; L117-I119 HydrophobicContact CB-CG1 4.25Å; I119-V126 HydrophobicContact CG2-CG1 3.29Å; I119-F127 CarbonylContact C-O 3.58Å; I119-F127 WeakPolarHBondContact CA-O 3.46Å; I119-L128 HydrophobicContact CG1-CD2 3.97Å; I119-I151 HydrophobicContact CD1-CG2 4.29Å; I119-L154 HydrophobicContact CD1-CD1 4.25Å; I119-L154 HydrophobicContact CD1-CD2 3.9Å; I119-L154 HydrophobicContact CG1-CD1 4.19Å; I119-L154 HydrophobicContact CG1-CD2 4.38Å; I119-L154 HydrophobicContact CG2-CD1 4.28Å
120	T	93.8	Very high	89.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.5	165.5	-58	0	0	0	0	109.5	E103 Y106 F127 N129	E103-T120 HydrophobicContact CB-CG2 4.35Å; E103-T120 HydrophobicContact CG-CG2 3.91Å; Y106-T120 HydrophobicContact CD1-CG2 3.81Å; Y106-T120 WeakPolarHBondContact CD1-OG1 3.35Å; Y106-T120 HydrophobicContact CE1-CG2 3.78Å; T120-F127 VanDerWaalsContact CB-CE2 3.46Å; T120-F127 VanDerWaalsContact CB-CZ 3.44Å; T120-F127 HydrophobicContact CG2-CD1 4.48Å; T120-F127 HydrophobicContact CG2-CE1 3.7Å; T120-F127 HydrophobicContact CG2-CE2 3.99Å; T120-F127 HydrophobicContact CG2-CZ 3.43Å; T120-F127 VanDerWaalsContact CG2-CZ 3.43Å; T120-F127 PolarHBondContact N-O 3.19Å; T120-F127 PolarHBondContact O-N 3.41Å; T120-N129 PolarHBondContact OG1-ND2 3.18Å
121	C	92.7	Very high	88.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.9	168.2	-59.5	0	0	0	0	108.8	V58 I104 C105	V58-C121 HydrophobicContact CG1-CB 3.69Å; V58-C121 HydrophobicContact CG2-CB 4.24Å; I104-C121 WeakPolarHBondContact CB-O 3.47Å; I104-C121 PolarHBondContact N-O 2.85Å; C105-C121 PolarHBondContact N-O 3.23Å; C105-C121 PolarHBondContact O-N 3.45Å
122	S	90.8	Very high	87.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.3	178.9	175	0	0	0	0	110.5	L53 G102 S124 G125	L53-S122 WeakPolarHBondContact CD1-O 3.38Å; G102-S122 PolarHBondContact O-OG 2.96Å; G102-S122 VanDerWaalsContact O-OG 3.06Å; S122-S124 PolarHBondContact O-N 3.33Å; S122-S124 PolarHBondContact OG-N 3.07Å; S122-G125 WeakPolarHBondContact CA-O 3.49Å; S122-G125 WeakPolarHBondContact CB-O 3.19Å; S122-G125 PolarHBondContact N-O 3.38Å; S122-G125 PolarHBondContact O-N 2.97Å; S122-G125 VanDerWaalsContact O-O 3.1Å
123	S	82.6	Confident	87	Confident	27 Å²	27	35.4 Å²	35.4	19%	0.189	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-11.1	167.6	58	0	0	0	0	114.3	K52 L53 G102	K52-S123 VanDerWaalsContact CA-O 3.28Å; K52-S123 WeakPolarHBondContact CA-O 3.43Å; L53-S123 PolarHBondContact N-O 3.2Å; G102-S123 WeakPolarHBondContact O-CB 3.34Å; G102-S123 PolarHBondContact O-N 2.97Å; G102-S123 PolarHBondContact O-OG 2.93Å
124	S	79.6	Confident	85.5	Confident	84 Å²	84	41.5 Å²	41.5	59%	0.587	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-4.2	173.9	-52.6	0	0	0	0	114.9	S122	S122-S124 PolarHBondContact O-N 3.33Å; S122-S124 PolarHBondContact OG-N 3.07Å
125	G	85.7	Confident	84	Confident	6 Å²	6	49.2 Å²	49.2	6%	0.062	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.7	174.9	-175	0	0	0	0	0	113	S122 Y148	S122-G125 WeakPolarHBondContact CA-O 3.49Å; S122-G125 WeakPolarHBondContact CB-O 3.19Å; S122-G125 PolarHBondContact N-O 3.38Å; S122-G125 PolarHBondContact O-N 2.97Å; S122-G125 VanDerWaalsContact O-O 3.1Å; G125-Y148 WeakPolarHBondContact CA-O 3.31Å
126	V	90.7	Very high	82.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.2	178	-175.6	0	0	0	0	110.1	L53 I119 Y147 Y148 I151 L154	L53-V126 HydrophobicContact CD1-CG2 3.83Å; I119-V126 HydrophobicContact CG2-CG1 3.29Å; V126-Y147 CarbonylContact O-C 3.58Å; V126-Y147 WeakPolarHBondContact O-CA 3.4Å; V126-Y148 PolarHBondContact N-O 3.39Å; V126-Y148 PolarHBondContact O-N 3.24Å; V126-I151 HydrophobicContact CG1-CG1 3.97Å; V126-I151 HydrophobicContact CG2-CG1 4.09Å; V126-L154 HydrophobicContact CG1-CD1 3.82Å
127	F	92.6	Very high	80.9	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.8	179.3	61.8	-94.9	0	0	0	113.6	I119 T120 R143 Y147	I119-F127 CarbonylContact C-O 3.58Å; I119-F127 WeakPolarHBondContact CA-O 3.46Å; T120-F127 VanDerWaalsContact CB-CE2 3.46Å; T120-F127 VanDerWaalsContact CB-CZ 3.44Å; T120-F127 HydrophobicContact CG2-CD1 4.48Å; T120-F127 HydrophobicContact CG2-CE1 3.7Å; T120-F127 HydrophobicContact CG2-CE2 3.99Å; T120-F127 HydrophobicContact CG2-CZ 3.43Å; T120-F127 VanDerWaalsContact CG2-CZ 3.43Å; T120-F127 PolarHBondContact N-O 3.19Å; T120-F127 PolarHBondContact O-N 3.41Å; F127-R143 HydrophobicContact CB-CG 4.19Å; F127-R143 HydrophobicContact CD2-CB 3.73Å; F127-R143 HydrophobicContact CD2-CG 3.46Å; F127-R143 VanDerWaalsContact CD2-CG 3.46Å; F127-R143 HydrophobicContact CE2-CB 3.59Å; F127-R143 HydrophobicContact CE2-CG 3.85Å; F127-R143 HydrophobicContact CG-CG 3.9Å; F127-R143 HydrophobicContact CZ-CB 4.34Å; F127-Y147 HydrophobicContact CB-CD1 4.42Å; F127-Y147 AromaticContact CD1-CD1 3.74Å; F127-Y147 HydrophobicContact CD1-CD1 3.74Å; F127-Y147 AromaticContact CD1-CE1 3.37Å; F127-Y147 HydrophobicContact CD1-CE1 3.37Å; F127-Y147 AromaticContact CE1-CE1 3.71Å; F127-Y147 HydrophobicContact CE1-CE1 3.71Å; F127-Y147 HydrophobicContact CG-CE1 4.38Å
128	L	91	Very high	79.6	Confident	37 Å²	37	58.7 Å²	58.7	19%	0.194	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.6	171	-67.8	169.9	0	0	0	110.9	L117 Y118 I119 Q144 S145 L154	L117-L128 HydrophobicContact CB-CD2 3.9Å; L117-L128 HydrophobicContact CD2-CD2 4.22Å; L117-L128 HydrophobicContact CG-CD2 4.47Å; Y118-L128 CarbonylContact O-C 3.52Å; Y118-L128 WeakPolarHBondContact O-CA 3.45Å; I119-L128 HydrophobicContact CG1-CD2 3.97Å; L128-Q144 PolarHBondContact O-N 2.81Å; L128-S145 PolarHBondContact N-OG 2.91Å; L128-S145 PolarHBondContact O-N 3.44Å; L128-L154 HydrophobicContact CD2-CD1 4.5Å; L128-L154 HydrophobicContact CD2-CD2 4.14Å; L128-L154 HydrophobicContact CG-CD1 4.33Å; L128-L154 HydrophobicContact CG-CD2 4.42Å
129	N	90.4	Very high	78.3	Confident	18 Å²	18	57.2 Å²	57.2	10%	0.096	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	175.7	172.9	70	53.7	0	0	0	112.2	Y118 T120 G131 E142	Y118-N129 WeakPolarHBondContact CB-OD1 3.46Å; Y118-N129 PolarHBondContact O-N 3.36Å; T120-N129 PolarHBondContact OG1-ND2 3.18Å; N129-G131 VanDerWaalsContact C-N 3.27Å; N129-G131 PolarHBondContact O-N 2.63Å; N129-G131 PolarHBondContact OD1-N 3.22Å; N129-E142 CarbonylContact C-O 3.56Å; N129-E142 WeakPolarHBondContact CA-O 3.48Å; N129-E142 WeakPolarHBondContact CB-O 3.25Å
130	A	82.4	Confident	77.4	Confident	44 Å²	44	60.3 Å²	60.3	36%	0.364	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-5.9	-174.5	0	0	0	0	0	114.8	L140 E142 Q144	A130-L140 HydrophobicContact CB-CB 3.77Å; A130-L140 WeakPolarHBondContact CB-O 3.13Å; A130-L140 PolarHBondContact N-O 2.9Å; A130-L140 VanDerWaalsContact N-O 3.16Å; A130-E142 PolarHBondContact N-O 3.28Å; A130-Q144 HydrophobicContact CB-CG 4.02Å
131	G	80.4	Confident	76.6	Confident	2 Å²	2	63.2 Å²	63.2	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.9	-132.2	169.8	0	0	0	0	0	115	N129 S139 L140	N129-G131 VanDerWaalsContact C-N 3.27Å; N129-G131 PolarHBondContact O-N 2.63Å; N129-G131 PolarHBondContact OD1-N 3.22Å; G131-S139 CarbonylContact O-C 3.56Å; G131-L140 PolarHBondContact N-O 2.92Å; G131-L140 PolarHBondContact O-N 2.89Å
132	L	75.8	Confident	76.1	Confident	68 Å²	68	70 Å²	70	36%	0.356	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.8	-179.7	-73.1	164.9	0	0	0	109.4	Y118 S139	Y118-L132 HydrophobicContact CE1-CD1 3.94Å; Y118-L132 HydrophobicContact CE1-CG 4Å; L132-S139 WeakPolarHBondContact CD2-OG 3.34Å
133	D	68.3	Low	76	Confident	59 Å²	59	75.6 Å²	75.6	32%	0.316	38%	0.38	S	S	.	.			trans	-72.2	139.7	166.3	-155	-54.6	0	0	0	109.8	E135 D137 E138 L140	D133-E135 PolarHBondContact OD1-N 3.36Å; D133-D137 PolarHBondContact O-N 2.86Å; D133-E138 PolarHBondContact N-O 3.31Å; D133-L140 HydrophobicContact CB-CD1 4.09Å; D133-L140 HydrophobicContact CB-CG 4.31Å
134	K	56.8	Low	76.2	Confident	204 Å²	204	80.1 Å²	80.1	89%	0.887	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-10	-176.4	-65.5	177.3	-176.7	170.5	0	113.1
135	E	54.7	Low	76.6	Confident	186 Å²	186	77 Å²	77	87%	0.869	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-29.9	178.8	-59.9	-165.7	175.2	0	0	112.5	D133	D133-E135 PolarHBondContact OD1-N 3.36Å
136	E	55.9	Low	76.6	Confident	155 Å²	155	82.5 Å²	82.5	72%	0.724	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-4.4	-176.7	-58.1	-165	143.5	0	0	115.1	E138	E136-E138 PolarHBondContact O-N 3.22Å; E136-E138 VanDerWaalsContact O-N 3.13Å
137	D	56.3	Low	76.3	Confident	141 Å²	141	87.9 Å²	87.9	75%	0.754	43%	0.425	S	S	*	.			trans	59.9	14.4	-178.3	-144.4	20.4	0	0	0	114.3	D133	D133-D137 PolarHBondContact O-N 2.86Å
138	E	63.6	Low	76	Confident	130 Å²	130	90.3 Å²	90.3	61%	0.607	44%	0.435	S	S	*	.			trans	-81.9	149.1	175	-67.6	-148	164.5	0	0	112.9	D133 E136	D133-E138 PolarHBondContact N-O 3.31Å; E136-E138 PolarHBondContact O-N 3.22Å; E136-E138 VanDerWaalsContact O-N 3.13Å
139	S	66.8	Low	75.5	Confident	32 Å²	32	94.5 Å²	94.5	22%	0.224	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.4	177.2	-65.8	0	0	0	0	111.9	G131 L132 Y141	G131-S139 CarbonylContact O-C 3.56Å; L132-S139 WeakPolarHBondContact CD2-OG 3.34Å; S139-Y141 WeakPolarHBondContact O-CD2 3.39Å; S139-Y141 VanDerWaalsContact O-CE2 3.25Å; S139-Y141 WeakPolarHBondContact O-CE2 3.47Å; S139-Y141 PolarHBondContact O-N 2.82Å; S139-Y141 VanDerWaalsContact O-N 3.09Å
140	L	75.1	Confident	75.3	Confident	66 Å²	66	94.6 Å²	94.6	35%	0.346	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	79.4	-178.8	-60.8	178.4	0	0	0	110.9	A130 G131 D133 E142	A130-L140 HydrophobicContact CB-CB 3.77Å; A130-L140 WeakPolarHBondContact CB-O 3.13Å; A130-L140 PolarHBondContact N-O 2.9Å; A130-L140 VanDerWaalsContact N-O 3.16Å; G131-L140 PolarHBondContact N-O 2.92Å; G131-L140 PolarHBondContact O-N 2.89Å; D133-L140 HydrophobicContact CB-CD1 4.09Å; D133-L140 HydrophobicContact CB-CG 4.31Å; L140-E142 PolarHBondContact O-N 2.75Å
141	Y	76.9	Confident	75.6	Confident	61 Å²	61	92.5 Å²	92.5	24%	0.239	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	24	-178.3	-47.4	-76.6	0	0	0	115.5	R98 Y106 S139	R98-Y141 VanDerWaalsContact CZ-CB 3.46Å; R98-Y141 VanDerWaalsContact NH2-CB 3.29Å; R98-Y141 PolarHBondContact NH2-O 3.42Å; Y106-Y141 AromaticContact CD1-CD1 3.78Å; Y106-Y141 HydrophobicContact CD1-CD1 3.78Å; Y106-Y141 HydrophobicContact CD1-CE1 4.1Å; Y106-Y141 HydrophobicContact CD2-CD1 4.17Å; Y106-Y141 AromaticContact CD2-CE1 3.62Å; Y106-Y141 HydrophobicContact CD2-CE1 3.62Å; Y106-Y141 AromaticContact CE1-CD1 3.41Å; Y106-Y141 HydrophobicContact CE1-CD1 3.41Å; Y106-Y141 VanDerWaalsContact CE1-CD1 3.41Å; Y106-Y141 AromaticContact CE1-CE1 3.82Å; Y106-Y141 HydrophobicContact CE1-CE1 3.82Å; Y106-Y141 HydrophobicContact CE1-CG 4.3Å; Y106-Y141 AromaticContact CE2-CD1 3.81Å; Y106-Y141 HydrophobicContact CE2-CD1 3.81Å; Y106-Y141 AromaticContact CE2-CE1 3.27Å; Y106-Y141 HydrophobicContact CE2-CE1 3.27Å; Y106-Y141 HydrophobicContact CG-CD1 4.14Å; Y106-Y141 HydrophobicContact CG-CE1 4Å; Y106-Y141 AromaticContact CZ-CD1 3.41Å; Y106-Y141 VanDerWaalsContact CZ-CD1 3.41Å; Y106-Y141 AromaticContact CZ-CE1 3.38Å; S139-Y141 WeakPolarHBondContact O-CD2 3.39Å; S139-Y141 VanDerWaalsContact O-CE2 3.25Å; S139-Y141 WeakPolarHBondContact O-CE2 3.47Å; S139-Y141 PolarHBondContact O-N 2.82Å; S139-Y141 VanDerWaalsContact O-N 3.09Å
142	E	81.5	Confident	76	Confident	141 Å²	141	92.7 Å²	92.7	66%	0.659	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.4	177.5	-64.5	-155.8	149.1	0	0	111.6	N129 A130 L140 Q144	N129-E142 CarbonylContact C-O 3.56Å; N129-E142 WeakPolarHBondContact CA-O 3.48Å; N129-E142 WeakPolarHBondContact CB-O 3.25Å; A130-E142 PolarHBondContact N-O 3.28Å; L140-E142 PolarHBondContact O-N 2.75Å; E142-Q144 PolarHBondContact O-N 3.18Å
143	R	88.4	Confident	76.5	Confident	120 Å²	120	91.8 Å²	91.8	45%	0.453	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120.6	-175.1	179.5	177.1	79.7	116.4	11	112.2	F127 S145 D146	F127-R143 HydrophobicContact CB-CG 4.19Å; F127-R143 HydrophobicContact CD2-CB 3.73Å; F127-R143 HydrophobicContact CD2-CG 3.46Å; F127-R143 VanDerWaalsContact CD2-CG 3.46Å; F127-R143 HydrophobicContact CE2-CB 3.59Å; F127-R143 HydrophobicContact CE2-CG 3.85Å; F127-R143 HydrophobicContact CG-CG 3.9Å; F127-R143 HydrophobicContact CZ-CB 4.34Å; R143-S145 WeakPolarHBondContact CD-O 3.26Å; R143-S145 WeakPolarHBondContact CG-O 3.2Å; R143-S145 PolarHBondContact NH1-O 3.34Å; R143-D146 IonicContact NH1-OD1 3.16Å
144	Q	86.8	Confident	77.6	Confident	122 Å²	122	89 Å²	89	57%	0.57	42%	0.42	S	S	*	.			trans	-105.3	-3.9	178.7	-60.7	-59.1	-35.7	0	0	113.9	L128 A130 E142	L128-Q144 PolarHBondContact O-N 2.81Å; A130-Q144 HydrophobicContact CB-CG 4.02Å; E142-Q144 PolarHBondContact O-N 3.18Å
145	S	87.3	Confident	79.1	Confident	20 Å²	20	79.2 Å²	79.2	14%	0.14	38%	0.378	C	S	.	.	S	Bend	trans	-135.2	170.3	175.8	77.2	0	0	0	0	114.4	L128 R143	L128-S145 PolarHBondContact N-OG 2.91Å; L128-S145 PolarHBondContact O-N 3.44Å; R143-S145 WeakPolarHBondContact CD-O 3.26Å; R143-S145 WeakPolarHBondContact CG-O 3.2Å; R143-S145 PolarHBondContact NH1-O 3.34Å
146	D	86.1	Confident	80.7	Confident	120 Å²	120	72.3 Å²	72.3	64%	0.642	35%	0.345	S	S	*	.			trans	-63.1	168.4	159.5	-70.5	-48.7	0	0	0	112.5	R143 Y148	R143-D146 IonicContact NH1-OD1 3.16Å; D146-Y148 WeakPolarHBondContact O-CE2 3.35Å
147	Y	85.3	Confident	82.2	Confident	113 Å²	113	74.1 Å²	74.1	44%	0.443	35%	0.345	S	S	.	.			trans	-83.4	140.9	177	-70.9	-81.8	0	0	0	111.9	V126 F127	V126-Y147 CarbonylContact O-C 3.58Å; V126-Y147 WeakPolarHBondContact O-CA 3.4Å; F127-Y147 HydrophobicContact CB-CD1 4.42Å; F127-Y147 AromaticContact CD1-CD1 3.74Å; F127-Y147 HydrophobicContact CD1-CD1 3.74Å; F127-Y147 AromaticContact CD1-CE1 3.37Å; F127-Y147 HydrophobicContact CD1-CE1 3.37Å; F127-Y147 AromaticContact CE1-CE1 3.71Å; F127-Y147 HydrophobicContact CE1-CE1 3.71Å; F127-Y147 HydrophobicContact CG-CE1 4.38Å
148	Y	86.1	Confident	83.6	Confident	57 Å²	57	69.6 Å²	69.6	22%	0.224	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-113.6	154.9	172.7	-61.1	-90.9	0	0	0	110.3	G125 V126 D146 T153 L154 R157	G125-Y148 WeakPolarHBondContact CA-O 3.31Å; V126-Y148 PolarHBondContact N-O 3.39Å; V126-Y148 PolarHBondContact O-N 3.24Å; D146-Y148 WeakPolarHBondContact O-CE2 3.35Å; Y148-T153 HydrophobicContact CD1-CG2 4.42Å; Y148-L154 HydrophobicContact CD1-CB 4.3Å; Y148-L154 HydrophobicContact CD2-CB 3.89Å; Y148-L154 HydrophobicContact CD2-CD1 3.8Å; Y148-L154 HydrophobicContact CD2-CG 3.77Å; Y148-L154 HydrophobicContact CE2-CB 4.4Å; Y148-L154 HydrophobicContact CE2-CD1 4.19Å; Y148-L154 HydrophobicContact CE2-CG 3.93Å; Y148-L154 HydrophobicContact CG-CB 3.83Å; Y148-L154 HydrophobicContact CG-CG 4.25Å; Y148-R157 HydrophobicContact CE1-CB 4.01Å; Y148-R157 HydrophobicContact CE1-CG 3.97Å
149	E	80.5	Confident	84.8	Confident	125 Å²	125	63.4 Å²	63.4	58%	0.584	29%	0.294	S	S	*	.	S	Bend	trans	-67.4	-38.3	-179.7	-173.1	172	-178.9	0	0	112.1
150	D	85.6	Confident	85.7	Confident	21 Å²	21	65.9 Å²	65.9	11%	0.112	31%	0.309	C	S	.	.	S	Bend	trans	-149.3	166.3	-177.6	62.7	34	0	0	0	111.4	E61 A152 T153 L154	E61-D150 WeakPolarHBondContact OE1-CB 3.4Å; D150-A152 VanDerWaalsContact C-N 3.34Å; D150-A152 PolarHBondContact OD1-N 3.19Å; D150-T153 PolarHBondContact O-N 3.42Å; D150-T153 WeakPolarHBondContact OD1-CA 3.42Å; D150-T153 WeakPolarHBondContact OD1-CB 3.24Å; D150-T153 PolarHBondContact OD1-N 3.38Å; D150-T153 PolarHBondContact OD1-OG1 2.97Å; D150-L154 PolarHBondContact O-N 3.15Å
151	I	89.9	Confident	86.1	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-39.5	-179.6	-56.8	170	0	0	0	110.1	V58 E61 V62 L65 I109 I119 V126 T153 L154 L155	V58-I151 HydrophobicContact CG1-CD1 4.39Å; E61-I151 VanDerWaalsContact CD-N 3.3Å; E61-I151 HydrophobicContact CG-CB 4.25Å; E61-I151 HydrophobicContact CG-CD1 4.35Å; E61-I151 PolarHBondContact OE1-N 3.21Å; E61-I151 VanDerWaalsContact OE1-N 3.07Å; E61-I151 WeakPolarHBondContact OE2-CB 3.42Å; E61-I151 WeakPolarHBondContact OE2-CG1 3.43Å; E61-I151 PolarHBondContact OE2-N 3.34Å; V62-I151 HydrophobicContact CG2-CD1 3.71Å; L65-I151 HydrophobicContact CD1-CB 3.91Å; L65-I151 HydrophobicContact CD1-CG2 3.59Å; I109-I151 HydrophobicContact CD1-CG2 3.58Å; I119-I151 HydrophobicContact CD1-CG2 4.29Å; V126-I151 HydrophobicContact CG1-CG1 3.97Å; V126-I151 HydrophobicContact CG2-CG1 4.09Å; I151-T153 PolarHBondContact O-N 3.29Å; I151-L154 WeakPolarHBondContact O-CB 3.47Å; I151-L154 PolarHBondContact O-N 3.44Å; I151-L155 HydrophobicContact CG2-CD1 4.02Å; I151-L155 HydrophobicContact CG2-CG 4.25Å; I151-L155 WeakPolarHBondContact O-CG 3.48Å; I151-L155 PolarHBondContact O-N 3.19Å
152	A	87.4	Confident	86.6	Confident	6 Å²	6	63 Å²	63	5%	0.05	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-29.7	-179.8	0	0	0	0	0	112.9	E61 D150 K156	E61-A152 WeakPolarHBondContact OE1-CB 3.28Å; E61-A152 PolarHBondContact OE1-N 3.17Å; D150-A152 VanDerWaalsContact C-N 3.34Å; D150-A152 PolarHBondContact OD1-N 3.19Å; A152-K156 WeakPolarHBondContact O-CD 3.48Å; A152-K156 VanDerWaalsContact O-CE 3.25Å; A152-K156 WeakPolarHBondContact O-CE 3.43Å; A152-K156 WeakPolarHBondContact O-CG 3.44Å; A152-K156 PolarHBondContact O-N 3.14Å
153	T	88.1	Confident	86.7	Confident	48 Å²	48	62 Å²	62	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-81.7	-34.5	178.1	-61.8	0	0	0	0	111.8	Y148 D150 I151 K156 R157	Y148-T153 HydrophobicContact CD1-CG2 4.42Å; D150-T153 PolarHBondContact O-N 3.42Å; D150-T153 WeakPolarHBondContact OD1-CA 3.42Å; D150-T153 WeakPolarHBondContact OD1-CB 3.24Å; D150-T153 PolarHBondContact OD1-N 3.38Å; D150-T153 PolarHBondContact OD1-OG1 2.97Å; I151-T153 PolarHBondContact O-N 3.29Å; T153-K156 PolarHBondContact OG1-NZ 3.09Å; T153-R157 PolarHBondContact O-N 2.99Å
154	L	90.1	Very high	86.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-47.7	165.5	-171.6	164.6	0	0	0	110.1	L117 I119 V126 L128 Y148 D150 I151 K156 R157 V158	L117-L154 HydrophobicContact CD1-CD2 4.23Å; I119-L154 HydrophobicContact CD1-CD1 4.25Å; I119-L154 HydrophobicContact CD1-CD2 3.9Å; I119-L154 HydrophobicContact CG1-CD1 4.19Å; I119-L154 HydrophobicContact CG1-CD2 4.38Å; I119-L154 HydrophobicContact CG2-CD1 4.28Å; V126-L154 HydrophobicContact CG1-CD1 3.82Å; L128-L154 HydrophobicContact CD2-CD1 4.5Å; L128-L154 HydrophobicContact CD2-CD2 4.14Å; L128-L154 HydrophobicContact CG-CD1 4.33Å; L128-L154 HydrophobicContact CG-CD2 4.42Å; Y148-L154 HydrophobicContact CD1-CB 4.3Å; Y148-L154 HydrophobicContact CD2-CB 3.89Å; Y148-L154 HydrophobicContact CD2-CD1 3.8Å; Y148-L154 HydrophobicContact CD2-CG 3.77Å; Y148-L154 HydrophobicContact CE2-CB 4.4Å; Y148-L154 HydrophobicContact CE2-CD1 4.19Å; Y148-L154 HydrophobicContact CE2-CG 3.93Å; Y148-L154 HydrophobicContact CG-CB 3.83Å; Y148-L154 HydrophobicContact CG-CG 4.25Å; D150-L154 PolarHBondContact O-N 3.15Å; I151-L154 WeakPolarHBondContact O-CB 3.47Å; I151-L154 PolarHBondContact O-N 3.44Å; L154-K156 PolarHBondContact O-N 3.26Å; L154-R157 WeakPolarHBondContact O-CB 3.46Å; L154-R157 PolarHBondContact O-N 3.26Å; L154-R157 VanDerWaalsContact O-N 3.11Å; L154-V158 HydrophobicContact CD2-CG2 4.17Å; L154-V158 WeakPolarHBondContact O-CG2 3.31Å; L154-V158 PolarHBondContact O-N 3.25Å
155	L	88.4	Confident	85.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-44.4	-179.6	-73.3	173.5	0	0	0	113.1	L65 I109 P111 L117 I151 R157 V158 S159 F162	L65-L155 HydrophobicContact CD1-CD1 3.99Å; L65-L155 HydrophobicContact CD2-CD1 4.03Å; I109-L155 HydrophobicContact CB-CD2 4.44Å; I109-L155 HydrophobicContact CD1-CD1 4.13Å; I109-L155 HydrophobicContact CD1-CD2 4.37Å; I109-L155 HydrophobicContact CG2-CD2 3.97Å; P111-L155 HydrophobicContact CG-CD2 4.3Å; L117-L155 HydrophobicContact CD1-CD2 4.01Å; I151-L155 HydrophobicContact CG2-CD1 4.02Å; I151-L155 HydrophobicContact CG2-CG 4.25Å; I151-L155 WeakPolarHBondContact O-CG 3.48Å; I151-L155 PolarHBondContact O-N 3.19Å; L155-R157 PolarHBondContact O-N 3.11Å; L155-V158 PolarHBondContact O-N 2.95Å; L155-V158 VanDerWaalsContact O-N 3.17Å; L155-S159 WeakPolarHBondContact O-CB 3.45Å; L155-S159 PolarHBondContact O-N 2.98Å; L155-F162 HydrophobicContact CB-CD1 3.7Å; L155-F162 HydrophobicContact CB-CE1 3.68Å; L155-F162 HydrophobicContact CB-CG 4.19Å; L155-F162 HydrophobicContact CB-CZ 4.15Å; L155-F162 HydrophobicContact CD1-CE1 4.32Å; L155-F162 HydrophobicContact CD1-CE2 4.08Å; L155-F162 HydrophobicContact CD1-CZ 3.93Å
156	K	88.3	Confident	85.4	Confident	41 Å²	41	62.3 Å²	62.3	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-56.3	-39.3	172.9	-69.3	159.3	-150.8	143.3	0	111.9	A152 T153 L154 V158 F162 E163 V166	A152-K156 WeakPolarHBondContact O-CD 3.48Å; A152-K156 VanDerWaalsContact O-CE 3.25Å; A152-K156 WeakPolarHBondContact O-CE 3.43Å; A152-K156 WeakPolarHBondContact O-CG 3.44Å; A152-K156 PolarHBondContact O-N 3.14Å; T153-K156 PolarHBondContact OG1-NZ 3.09Å; L154-K156 PolarHBondContact O-N 3.26Å; K156-V158 VanDerWaalsContact C-N 3.29Å; K156-V158 PolarHBondContact O-N 3.36Å; K156-F162 HydrophobicContact CG-CD1 4.16Å; K156-F162 HydrophobicContact CG-CE1 4.3Å; K156-E163 HydrophobicContact CB-CB 4.08Å; K156-E163 HydrophobicContact CB-CG 4.21Å; K156-E163 HydrophobicContact CG-CB 4.2Å; K156-E163 HydrophobicContact CG-CG 4.25Å; K156-V166 HydrophobicContact CG-CG1 4.45Å
157	R	88.1	Confident	84.2	Confident	193 Å²	193	63.6 Å²	63.6	73%	0.728	30%	0.299	S	S	*	.	H	α-helix	trans	-69.6	-24.8	-178.7	-176.1	54.8	176.7	162.6	1.2	113.5	Y148 T153 L154 L155	Y148-R157 HydrophobicContact CE1-CB 4.01Å; Y148-R157 HydrophobicContact CE1-CG 3.97Å; T153-R157 PolarHBondContact O-N 2.99Å; L154-R157 WeakPolarHBondContact O-CB 3.46Å; L154-R157 PolarHBondContact O-N 3.26Å; L154-R157 VanDerWaalsContact O-N 3.11Å; L155-R157 PolarHBondContact O-N 3.11Å
158	V	85.9	Confident	82.6	Confident	46 Å²	46	67.7 Å²	67.7	28%	0.279	32%	0.319	S	S	.	.	H	α-helix	trans	-109.1	-24.2	-173.3	-177.7	0	0	0	0	113.1	L117 L154 L155 K156	L117-V158 HydrophobicContact CD1-CB 4.09Å; L117-V158 HydrophobicContact CD1-CG1 3.72Å; L117-V158 HydrophobicContact CD2-CG1 3.78Å; L117-V158 HydrophobicContact CG-CG1 4.38Å; L154-V158 HydrophobicContact CD2-CG2 4.17Å; L154-V158 WeakPolarHBondContact O-CG2 3.31Å; L154-V158 PolarHBondContact O-N 3.25Å; L155-V158 PolarHBondContact O-N 2.95Å; L155-V158 VanDerWaalsContact O-N 3.17Å; K156-V158 VanDerWaalsContact C-N 3.29Å; K156-V158 PolarHBondContact O-N 3.36Å
159	S	88.4	Confident	80.8	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.338	C	S	.	.			trans	-125.5	98.2	-178.1	172.7	0	0	0	0	110.8	D113 L155 H161 F162 E163	D113-S159 VanDerWaalsContact CG-OG 3.24Å; D113-S159 VanDerWaalsContact OD1-CB 3.31Å; D113-S159 WeakPolarHBondContact OD1-CB 3.44Å; D113-S159 PolarHBondContact OD1-OG 3.12Å; D113-S159 PolarHBondContact OD2-OG 2.99Å; L155-S159 WeakPolarHBondContact O-CB 3.45Å; L155-S159 PolarHBondContact O-N 2.98Å; S159-H161 PolarHBondContact O-N 3.29Å; S159-F162 WeakPolarHBondContact O-CB 3.44Å; S159-F162 PolarHBondContact O-N 3.16Å; S159-F162 VanDerWaalsContact O-N 3.09Å; S159-F162 WeakPolarHBondContact OG-CB 3.41Å; S159-F162 PolarHBondContact OG-N 3.21Å; S159-E163 PolarHBondContact O-N 2.97Å
160	P	84.9	Confident	79.2	Confident	83 Å²	83	69.3 Å²	69.3	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-56.7	-36.2	171.8	-26.5	35.8	0	0	0	113	D113 F162 E163 E164	D113-P160 WeakPolarHBondContact OD2-CD 3.35Å; P160-F162 VanDerWaalsContact C-N 3.3Å; P160-F162 PolarHBondContact O-N 3.1Å; P160-E163 PolarHBondContact O-N 2.92Å; P160-E164 PolarHBondContact O-N 3.24Å
161	H	84.1	Confident	77.1	Confident	67 Å²	67	74.1 Å²	74.1	31%	0.31	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-38.4	174.9	179.9	-91.5	0	0	0	111.9	D113 S159 N165	D113-H161 HydrophobicContact CB-CB 3.88Å; D113-H161 VanDerWaalsContact CG-CB 3.43Å; D113-H161 WeakPolarHBondContact OD2-CB 3.49Å; D113-H161 PolarHBondContact OD2-N 2.59Å; S159-H161 PolarHBondContact O-N 3.29Å; H161-N165 WeakPolarHBondContact O-CB 3.22Å; H161-N165 PolarHBondContact O-N 3.36Å; H161-N165 PolarHBondContact O-ND2 2.84Å
162	F	86.6	Confident	74.6	Confident	1 Å²	1	79.7 Å²	79.7	0%	0.004	38%	0.379	C	S	.	.	H	α-helix	trans	-68.3	-44.5	173	-173.9	-90.1	0	0	0	111.2	L65 L76 L77 L155 K156 S159 P160 E164 N165 V166	L65-F162 HydrophobicContact CD2-CE2 4Å; L65-F162 HydrophobicContact CD2-CZ 3.64Å; L76-F162 HydrophobicContact CB-CD2 3.87Å; L76-F162 HydrophobicContact CB-CE2 4.49Å; L76-F162 HydrophobicContact CD1-CD2 4.02Å; L76-F162 HydrophobicContact CD1-CE2 4.31Å; L77-F162 HydrophobicContact CD2-CD2 4.11Å; L77-F162 HydrophobicContact CD2-CE2 4.39Å; L155-F162 HydrophobicContact CB-CD1 3.7Å; L155-F162 HydrophobicContact CB-CE1 3.68Å; L155-F162 HydrophobicContact CB-CG 4.19Å; L155-F162 HydrophobicContact CB-CZ 4.15Å; L155-F162 HydrophobicContact CD1-CE1 4.32Å; L155-F162 HydrophobicContact CD1-CE2 4.08Å; L155-F162 HydrophobicContact CD1-CZ 3.93Å; K156-F162 HydrophobicContact CG-CD1 4.16Å; K156-F162 HydrophobicContact CG-CE1 4.3Å; S159-F162 WeakPolarHBondContact O-CB 3.44Å; S159-F162 PolarHBondContact O-N 3.16Å; S159-F162 VanDerWaalsContact O-N 3.09Å; S159-F162 WeakPolarHBondContact OG-CB 3.41Å; S159-F162 PolarHBondContact OG-N 3.21Å; P160-F162 VanDerWaalsContact C-N 3.3Å; P160-F162 PolarHBondContact O-N 3.1Å; F162-E164 PolarHBondContact O-N 3.1Å; F162-N165 PolarHBondContact O-N 3Å; F162-V166 HydrophobicContact CD1-CB 4.31Å; F162-V166 HydrophobicContact CD1-CG1 4.15Å; F162-V166 HydrophobicContact CE1-CB 4.13Å; F162-V166 HydrophobicContact CE1-CG1 4.05Å; F162-V166 HydrophobicContact CE1-CG2 4.2Å; F162-V166 HydrophobicContact CZ-CB 4.32Å; F162-V166 HydrophobicContact CZ-CG2 4.07Å; F162-V166 WeakPolarHBondContact O-CB 3.13Å; F162-V166 WeakPolarHBondContact O-CG1 3.49Å; F162-V166 PolarHBondContact O-N 2.81Å
163	E	85.5	Confident	72.1	Confident	118 Å²	118	87.3 Å²	87.3	55%	0.551	41%	0.414	S	S	*	.	H	α-helix	trans	-61.5	-43.6	179.3	-175.5	167	-143	0	0	113.3	K156 S159 P160	K156-E163 HydrophobicContact CB-CB 4.08Å; K156-E163 HydrophobicContact CB-CG 4.21Å; K156-E163 HydrophobicContact CG-CB 4.2Å; K156-E163 HydrophobicContact CG-CG 4.25Å; S159-E163 PolarHBondContact O-N 2.97Å; P160-E163 PolarHBondContact O-N 2.92Å
164	E	80.5	Confident	69.5	Low	167 Å²	167	93.4 Å²	93.4	78%	0.78	44%	0.439	S	S	*	.	H	α-helix	trans	-69.8	-37.4	179.8	-70.9	-171.5	160.8	0	0	113	P160 F162	P160-E164 PolarHBondContact O-N 3.24Å; F162-E164 PolarHBondContact O-N 3.1Å
165	N	76.9	Confident	66.5	Low	82 Å²	82	100.5 Å²	100.5	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-101.1	-13.6	-170.4	-64.2	-81.9	0	0	0	114.3	L76 H161 F162 K167	L76-N165 HydrophobicContact CD1-CB 4.35Å; L76-N165 HydrophobicContact CD2-CB 3.48Å; L76-N165 VanDerWaalsContact CD2-CB 3.48Å; H161-N165 WeakPolarHBondContact O-CB 3.22Å; H161-N165 PolarHBondContact O-N 3.36Å; H161-N165 PolarHBondContact O-ND2 2.84Å; F162-N165 PolarHBondContact O-N 3Å; N165-K167 PolarHBondContact O-N 3.49Å
166	V	77.1	Confident	63.6	Low	20 Å²	20	105.8 Å²	105.8	12%	0.121	50%	0.504	C	S	.	.	S	Bend	trans	-70.8	101.5	170.3	74.7	0	0	0	0	109.3	L76 K156 F162 K168	L76-V166 HydrophobicContact CD1-CB 4.21Å; K156-V166 HydrophobicContact CG-CG1 4.45Å; F162-V166 HydrophobicContact CD1-CB 4.31Å; F162-V166 HydrophobicContact CD1-CG1 4.15Å; F162-V166 HydrophobicContact CE1-CB 4.13Å; F162-V166 HydrophobicContact CE1-CG1 4.05Å; F162-V166 HydrophobicContact CE1-CG2 4.2Å; F162-V166 HydrophobicContact CZ-CB 4.32Å; F162-V166 HydrophobicContact CZ-CG2 4.07Å; F162-V166 WeakPolarHBondContact O-CB 3.13Å; F162-V166 WeakPolarHBondContact O-CG1 3.49Å; F162-V166 PolarHBondContact O-N 2.81Å; V166-K168 PolarHBondContact O-N 3.17Å
167	K	61	Low	60.9	Low	147 Å²	147	114.4 Å²	114.4	64%	0.639	54%	0.536	S	S	*	.			trans	-51.7	135.9	-178.5	-67.4	-172.8	176.4	-171	0	111	N165 Q169	N165-K167 PolarHBondContact O-N 3.49Å; K167-Q169 PolarHBondContact O-N 2.89Å
168	K	51.8	Low	58.4	Low	199 Å²	199	115.3 Å²	115.3	87%	0.865	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-64.2	19.3	-179.1	-67.6	-174.7	174.6	178.7	0	116.1	V166 Y170	V166-K168 PolarHBondContact O-N 3.17Å; K168-Y170 VanDerWaalsContact C-N 3.29Å; K168-Y170 PolarHBondContact O-N 3.15Å
169	Q	47.3	Very low	55.6	Low	133 Å²	133	116 Å²	116	62%	0.621	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-75.1	-15.5	177.1	-65.6	-176	-95.3	0	0	113.1	K167 F171	K167-Q169 PolarHBondContact O-N 2.89Å; Q169-F171 PolarHBondContact O-N 3.03Å; Q169-F171 VanDerWaalsContact O-N 3.15Å
170	Y	46.9	Very low	53.3	Low	83 Å²	83	123.2 Å²	123.2	33%	0.325	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-70.9	-3.7	-176.5	-151	-104.3	0	0	0	115.7	F64 K168	F64-Y170 HydrophobicContact CD1-CD2 4.03Å; F64-Y170 AromaticContact CD1-CE2 3.45Å; F64-Y170 HydrophobicContact CD1-CE2 3.45Å; F64-Y170 VanDerWaalsContact CD1-CE2 3.45Å; F64-Y170 AromaticContact CE1-CD2 3.47Å; F64-Y170 HydrophobicContact CE1-CD2 3.47Å; F64-Y170 VanDerWaalsContact CE1-CD2 3.47Å; F64-Y170 AromaticContact CE1-CE2 3.41Å; F64-Y170 HydrophobicContact CE1-CE2 3.41Å; F64-Y170 VanDerWaalsContact CE1-CE2 3.41Å; F64-Y170 HydrophobicContact CG-CE2 4.1Å; F64-Y170 AromaticContact CZ-CD2 3.84Å; F64-Y170 HydrophobicContact CZ-CD2 3.84Å; F64-Y170 HydrophobicContact CZ-CE2 4.05Å; K168-Y170 VanDerWaalsContact C-N 3.29Å; K168-Y170 PolarHBondContact O-N 3.15Å
171	F	41.6	Very low	50.7	Low	123 Å²	123	126.2 Å²	126.2	54%	0.539	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-131.4	-0.1	-169.9	-97.9	-87.9	0	0	0	117.3	Q169	Q169-F171 PolarHBondContact O-N 3.03Å; Q169-F171 VanDerWaalsContact O-N 3.15Å
172	V	38.1	Very low	48.3	Very low	116 Å²	116	129.7 Å²	129.7	70%	0.703	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	-51.5	-175.3	-175.3	0	0	0	0	113.3
173	E	34.3	Very low	45.7	Very low	166 Å²	166	133.1 Å²	133.1	78%	0.776	64%	0.638	S	S	*	*	S	Bend	trans	-104	-11.6	-165.6	-64	-174.7	132.4	0	0	115.1
174	Q	33.2	Very low	43.2	Very low	176 Å²	176	133.3 Å²	133.3	82%	0.822	64%	0.639	S	S	*	*			trans	-127.5	66.8	164.4	-67.6	-161.3	34.2	0	0	111.7	P176	Q174-P176 VanDerWaalsContact O-CD 3.23Å; Q174-P176 WeakPolarHBondContact O-CD 3.12Å
175	K	28.1	Very low	41	Very low	150 Å²	150	129.4 Å²	129.4	65%	0.652	63%	0.626	S	S	*	*			trans	-70.5	112.9	138.9	-80.8	178.5	178.3	170	0	106.4	R177	K175-R177 PolarHBondContact O-N 3.24Å
176	P	27.9	Very low	38.8	Very low	110 Å²	110	129.9 Å²	129.9	71%	0.714	63%	0.632	S	S	*	*			trans	-52.7	131.8	157.7	25.5	-33.3	0	0	0	106.2	Q174 R178	Q174-P176 VanDerWaalsContact O-CD 3.23Å; Q174-P176 WeakPolarHBondContact O-CD 3.12Å; P176-R178 PolarHBondContact O-N 2.83Å
177	R	29.9	Very low	36.6	Very low	222 Å²	222	136.2 Å²	136.2	84%	0.838	66%	0.655	S	S	*	*			trans	-55.5	118	-171.6	-65.6	178.4	171.7	165.8	-3.2	108.1	K175 S179	K175-R177 PolarHBondContact O-N 3.24Å; R177-S179 VanDerWaalsContact CB-OG 3.22Å; R177-S179 WeakPolarHBondContact CB-OG 3.47Å; R177-S179 PolarHBondContact O-N 2.77Å
178	R	36.4	Very low	35.1	Very low	212 Å²	212	136.2 Å²	136.2	80%	0.8	66%	0.657	S	S	*	*			trans	-72.4	53.1	170.8	-69.9	-172.5	176.8	-178.9	-1.8	109.6	P176	P176-R178 PolarHBondContact O-N 2.83Å
179	S	26.3	Very low	34.2	Very low	61 Å²	61	133 Å²	133	43%	0.427	65%	0.648	S	S	.	*	S	Bend	trans	-133	99.7	-178	65.7	0	0	0	0	109.4	R177 H181	R177-S179 VanDerWaalsContact CB-OG 3.22Å; R177-S179 WeakPolarHBondContact CB-OG 3.47Å; R177-S179 PolarHBondContact O-N 2.77Å; S179-H181 PolarHBondContact O-N 3.49Å
180	I	40.4	Very low	33.4	Very low	151 Å²	151	134.3 Å²	134.3	77%	0.774	65%	0.654	S	S	*	*			trans	37.9	85.6	142.9	-47	172.6	0	0	0	114.4	A183	I180-A183 HydrophobicContact CG2-CB 4.49Å
181	H	30.8	Very low	32.6	Very low	147 Å²	147	137.9 Å²	137.9	68%	0.681	67%	0.674	S	S	*	*			trans	-124.7	10.8	165.1	-112.9	54.4	0	0	0	114.8	S179 A183	S179-H181 PolarHBondContact O-N 3.49Å; H181-A183 PolarHBondContact O-N 3.49Å
182	L	33.7	Very low	32.5	Very low	140 Å²	140	135.8 Å²	135.8	73%	0.733	68%	0.679	S	S	*	*	H	α-helix	trans	-73.9	-8.4	167.1	-82.1	159.9	0	0	0	113.6	V186	L182-V186 WeakPolarHBondContact O-CG2 3.44Å
183	A	32.4	Very low	32.2	Very low	72 Å²	72	139 Å²	139	60%	0.595	69%	0.686	S	S	*	*	H	α-helix	trans	-78.4	-23.3	-179.8	0	0	0	0	0	114.3	I180 H181	I180-A183 HydrophobicContact CG2-CB 4.49Å; H181-A183 PolarHBondContact O-N 3.49Å
184	H	33.5	Very low	32.3	Very low	122 Å²	122	136.9 Å²	136.9	57%	0.565	69%	0.687	S	S	*	*	H	α-helix	trans	-94.7	-42	178.2	-99	114	0	0	0	113	V186 Y187	H184-V186 PolarHBondContact O-N 2.95Å; H184-Y187 PolarHBondContact O-N 3.39Å
185	V	32.9	Very low	32.6	Very low	86 Å²	86	133.8 Å²	133.8	52%	0.521	67%	0.671	S	S	.	*	H	α-helix	trans	-61.1	-30.8	-177.4	-177.4	0	0	0	0	112.3	Y187 I189	V185-Y187 VanDerWaalsContact C-N 3.33Å; V185-I189 HydrophobicContact CG1-CD1 3.92Å; V185-I189 WeakPolarHBondContact O-CD1 3.35Å; V185-I189 WeakPolarHBondContact O-CG1 3.35Å
186	V	30.2	Very low	33.6	Very low	91 Å²	91	129.9 Å²	129.9	55%	0.552	66%	0.659	S	S	*	*	H	α-helix	trans	-70.7	-27.5	175.4	175.9	0	0	0	0	112.4	L182 H184	L182-V186 WeakPolarHBondContact O-CG2 3.44Å; H184-V186 PolarHBondContact O-N 2.95Å
187	Y	31.8	Very low	34.2	Very low	154 Å²	154	129.7 Å²	129.7	60%	0.604	66%	0.658	S	S	*	*	H	α-helix	trans	-85.8	-28.3	-170.9	-158.3	-101.6	0	0	0	114.1	H184 V185	H184-Y187 PolarHBondContact O-N 3.39Å; V185-Y187 VanDerWaalsContact C-N 3.33Å
188	E	29.1	Very low	34.7	Very low	147 Å²	147	126.2 Å²	126.2	69%	0.687	65%	0.651	S	S	*	*	H	α-helix	trans	-88.8	-25.9	179.8	-64.6	-169.4	141.9	0	0	113.3	E190 Q191	E188-E190 VanDerWaalsContact C-N 3.28Å; E188-E190 PolarHBondContact O-N 3.26Å; E188-Q191 PolarHBondContact O-N 3.28Å
189	I	33.4	Very low	34.9	Very low	131 Å²	131	120.3 Å²	120.3	67%	0.672	63%	0.633	S	S	*	*	H	α-helix	trans	-68.1	-27.4	177.8	-66.9	175.4	0	0	0	111.7	V185 Q191	V185-I189 HydrophobicContact CG1-CD1 3.92Å; V185-I189 WeakPolarHBondContact O-CD1 3.35Å; V185-I189 WeakPolarHBondContact O-CG1 3.35Å; I189-Q191 VanDerWaalsContact C-N 3.32Å; I189-Q191 PolarHBondContact O-N 3.46Å
190	E	31.1	Very low	35.7	Very low	160 Å²	160	124.6 Å²	124.6	75%	0.748	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-11.4	179.6	-70.6	-165.3	144	0	0	115.1	E188	E188-E190 VanDerWaalsContact C-N 3.28Å; E188-E190 PolarHBondContact O-N 3.26Å
191	Q	29.8	Very low	35.7	Very low	159 Å²	159	122.7 Å²	122.7	74%	0.743	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	1.2	-174.7	-62.3	-155.6	15.9	0	0	115.9	E188 I189	E188-Q191 PolarHBondContact O-N 3.28Å; I189-Q191 VanDerWaalsContact C-N 3.32Å; I189-Q191 PolarHBondContact O-N 3.46Å
192	A	38.8	Very low	36	Very low	79 Å²	79	123.6 Å²	123.6	65%	0.653	63%	0.625	S	S	*	*	S	Bend	trans	-117.8	23	-163.6	0	0	0	0	0	117.1
193	Q	31.5	Very low	36.3	Very low	184 Å²	184	119.7 Å²	119.7	86%	0.86	60%	0.603	S	S	*	*	S	Bend	trans	-137	138.5	163.7	-70.4	-161.3	9.7	0	0	113.5
194	P	37	Very low	36.8	Very low	120 Å²	120	121.9 Å²	121.9	78%	0.779	60%	0.599	S	S	*	*			trans	-80.6	120	176.5	31.3	-32.5	0	0	0	111.9	T196	P194-T196 PolarHBondContact O-N 3.21Å
195	K	40.3	Very low	37	Very low	112 Å²	112	120.3 Å²	120.3	49%	0.487	59%	0.594	S	S	.	*			trans	-45	134.4	177.1	-74.2	-171.5	168.3	-178.3	0	113.9	E199 E203	K195-E199 WeakPolarHBondContact CA-OE2 3.39Å; K195-E199 VanDerWaalsContact CB-OE2 3.23Å; K195-E199 WeakPolarHBondContact CB-OE2 2.73Å; K195-E199 WeakPolarHBondContact CG-OE2 3.15Å; K195-E203 IonicContact NZ-OE1 2.68Å; K195-E203 PolarHBondContact NZ-OE1 2.96Å
196	T	47.8	Very low	37.2	Very low	68 Å²	68	121.5 Å²	121.5	42%	0.417	59%	0.594	S	S	.	*			trans	-72.2	165	-178.6	68.6	0	0	0	0	111.9	P194 E198 E199	P194-T196 PolarHBondContact O-N 3.21Å; T196-E198 VanDerWaalsContact C-N 3.28Å; T196-E198 PolarHBondContact O-N 3.18Å; T196-E199 PolarHBondContact N-OE2 3.39Å
197	P	40.7	Very low	37.6	Very low	105 Å²	105	125 Å²	125	68%	0.682	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-35.8	178.3	-25.3	36.1	0	0	0	113.5	R200 E201	P197-R200 WeakPolarHBondContact O-CB 3.35Å; P197-R200 PolarHBondContact O-N 3.18Å; P197-E201 WeakPolarHBondContact O-CG 3.5Å; P197-E201 PolarHBondContact O-N 3.26Å
198	E	41.3	Very low	38	Very low	150 Å²	150	121.5 Å²	121.5	70%	0.701	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-37.3	-173.7	-61.7	175.5	159.3	0	0	112.3	T196 R200 E201 W202	T196-E198 VanDerWaalsContact C-N 3.28Å; T196-E198 PolarHBondContact O-N 3.18Å; E198-R200 PolarHBondContact O-N 3.35Å; E198-E201 WeakPolarHBondContact O-CB 3.44Å; E198-E201 PolarHBondContact O-N 2.92Å; E198-W202 PolarHBondContact O-N 2.83Å
199	E	39.5	Very low	38.3	Very low	88 Å²	88	120.5 Å²	120.5	41%	0.411	60%	0.599	S	S	.	*	H	α-helix	trans	-59.3	-35.7	172.5	-66.8	177.4	128.6	0	0	112	K195 T196 E201 W202 E203	K195-E199 WeakPolarHBondContact CA-OE2 3.39Å; K195-E199 VanDerWaalsContact CB-OE2 3.23Å; K195-E199 WeakPolarHBondContact CB-OE2 2.73Å; K195-E199 WeakPolarHBondContact CG-OE2 3.15Å; T196-E199 PolarHBondContact N-OE2 3.39Å; E199-E201 VanDerWaalsContact C-N 3.25Å; E199-E201 PolarHBondContact O-N 3.06Å; E199-W202 PolarHBondContact O-N 3.06Å; E199-E203 PolarHBondContact O-N 2.81Å
200	R	42.8	Very low	39	Very low	150 Å²	150	123.8 Å²	123.8	57%	0.566	61%	0.605	S	S	*	*	H	α-helix	trans	-74.1	-16.1	177.1	-58.7	-179.3	-173.7	-161.8	0.2	112.8	P197 E198 K204	P197-R200 WeakPolarHBondContact O-CB 3.35Å; P197-R200 PolarHBondContact O-N 3.18Å; E198-R200 PolarHBondContact O-N 3.35Å; R200-K204 VanDerWaalsContact O-CG 3.31Å; R200-K204 WeakPolarHBondContact O-CG 3.44Å
201	E	41.8	Very low	39.2	Very low	111 Å²	111	118.9 Å²	118.9	52%	0.519	60%	0.597	S	S	.	*	H	α-helix	trans	-87.1	-39.4	171.8	-56.9	-114.8	103.8	0	0	110.3	P197 E198 E199 E203 K204 L205	P197-E201 WeakPolarHBondContact O-CG 3.5Å; P197-E201 PolarHBondContact O-N 3.26Å; E198-E201 WeakPolarHBondContact O-CB 3.44Å; E198-E201 PolarHBondContact O-N 2.92Å; E199-E201 VanDerWaalsContact C-N 3.25Å; E199-E201 PolarHBondContact O-N 3.06Å; E201-E203 PolarHBondContact O-N 3.43Å; E201-K204 WeakPolarHBondContact O-CB 3.46Å; E201-K204 PolarHBondContact O-N 2.98Å; E201-K204 VanDerWaalsContact O-N 3.11Å; E201-K204 IonicContact OE1-NZ 2.9Å; E201-K204 PolarHBondContact OE1-NZ 3.07Å; E201-L205 PolarHBondContact O-N 3.2Å
202	W	37.3	Very low	39.4	Very low	166 Å²	166	122.8 Å²	122.8	63%	0.629	61%	0.605	S	S	*	*	H	α-helix	trans	-60.2	-43.2	172.1	-93.1	127.4	0	0	0	113.1	E198 E199 K204 L205 Q206	E198-W202 PolarHBondContact O-N 2.83Å; E199-W202 PolarHBondContact O-N 3.06Å; W202-K204 VanDerWaalsContact C-N 3.28Å; W202-K204 PolarHBondContact O-N 2.85Å; W202-L205 HydrophobicContact CE3-CB 4.01Å; W202-L205 HydrophobicContact CE3-CD1 3.95Å; W202-L205 HydrophobicContact CZ3-CB 4.24Å; W202-L205 HydrophobicContact CZ3-CD1 3.96Å; W202-L205 PolarHBondContact O-N 3.5Å; W202-Q206 WeakPolarHBondContact O-CG 2.94Å; W202-Q206 PolarHBondContact O-N 3.39Å
203	E	39.9	Very low	39	Very low	59 Å²	59	128.8 Å²	128.8	28%	0.276	62%	0.616	S	S	.	*	H	α-helix	trans	-61.9	-32.4	173.6	-78.6	-173.4	-157.9	0	0	113.1	K195 E199 E201 R207	K195-E203 IonicContact NZ-OE1 2.68Å; K195-E203 PolarHBondContact NZ-OE1 2.96Å; E199-E203 PolarHBondContact O-N 2.81Å; E201-E203 PolarHBondContact O-N 3.43Å; E203-R207 WeakPolarHBondContact O-CG 3.42Å; E203-R207 PolarHBondContact O-N 3.36Å; E203-R207 IonicContact OE2-CZ 2.63Å; E203-R207 IonicContact OE2-NH2 2.88Å; E203-R207 PolarHBondContact OE2-NH2 3.41Å
204	K	43	Very low	39.4	Very low	118 Å²	118	130.4 Å²	130.4	51%	0.513	62%	0.62	S	S	.	*	H	α-helix	trans	-69.4	-45	174	-69.5	168.3	-166.3	166.2	0	111	R200 E201 W202 R207 A208	R200-K204 VanDerWaalsContact O-CG 3.31Å; R200-K204 WeakPolarHBondContact O-CG 3.44Å; E201-K204 WeakPolarHBondContact O-CB 3.46Å; E201-K204 PolarHBondContact O-N 2.98Å; E201-K204 VanDerWaalsContact O-N 3.11Å; E201-K204 IonicContact OE1-NZ 2.9Å; E201-K204 PolarHBondContact OE1-NZ 3.07Å; W202-K204 VanDerWaalsContact C-N 3.28Å; W202-K204 PolarHBondContact O-N 2.85Å; K204-R207 PolarHBondContact O-N 2.95Å; K204-A208 PolarHBondContact O-N 3.21Å
205	L	36.5	Very low	39	Very low	89 Å²	89	136.2 Å²	136.2	47%	0.466	63%	0.627	S	S	.	*	H	α-helix	trans	-61.3	-43.3	177.9	-82.6	162.7	0	0	0	111.8	E201 W202 R207 A208 L209	E201-L205 PolarHBondContact O-N 3.2Å; W202-L205 HydrophobicContact CE3-CB 4.01Å; W202-L205 HydrophobicContact CE3-CD1 3.95Å; W202-L205 HydrophobicContact CZ3-CB 4.24Å; W202-L205 HydrophobicContact CZ3-CD1 3.96Å; W202-L205 PolarHBondContact O-N 3.5Å; L205-R207 PolarHBondContact O-N 3.32Å; L205-A208 PolarHBondContact O-N 3.34Å; L205-L209 WeakPolarHBondContact O-CG 3.25Å; L205-L209 PolarHBondContact O-N 2.98Å
206	Q	37.8	Very low	38.5	Very low	110 Å²	110	139.6 Å²	139.6	51%	0.514	64%	0.644	S	S	.	*	H	α-helix	trans	-59.8	-45.6	174.9	-73.4	-179.5	-5.4	0	0	112.2	W202 A208 L209 Y210	W202-Q206 WeakPolarHBondContact O-CG 2.94Å; W202-Q206 PolarHBondContact O-N 3.39Å; Q206-A208 VanDerWaalsContact C-N 3.29Å; Q206-A208 PolarHBondContact O-N 3.23Å; Q206-L209 PolarHBondContact O-N 3.36Å; Q206-Y210 VanDerWaalsContact O-CD2 3.28Å; Q206-Y210 WeakPolarHBondContact O-CD2 3.4Å; Q206-Y210 PolarHBondContact O-N 2.68Å
207	R	39.4	Very low	37.6	Very low	165 Å²	165	142.1 Å²	142.1	62%	0.623	66%	0.662	S	S	*	*	H	α-helix	trans	-65.1	-32	177.1	-68.6	177.1	-152.3	131.9	8.6	112.9	E203 K204 L205 G211	E203-R207 WeakPolarHBondContact O-CG 3.42Å; E203-R207 PolarHBondContact O-N 3.36Å; E203-R207 IonicContact OE2-CZ 2.63Å; E203-R207 IonicContact OE2-NH2 2.88Å; E203-R207 PolarHBondContact OE2-NH2 3.41Å; K204-R207 PolarHBondContact O-N 2.95Å; L205-R207 PolarHBondContact O-N 3.32Å; R207-G211 PolarHBondContact O-N 3.14Å
208	A	39.1	Very low	37.2	Very low	80 Å²	80	141.1 Å²	141.1	66%	0.661	66%	0.656	S	S	*	*	H	α-helix	trans	-71	-34.5	174.8	0	0	0	0	0	113	K204 L205 Q206	K204-A208 PolarHBondContact O-N 3.21Å; L205-A208 PolarHBondContact O-N 3.34Å; Q206-A208 VanDerWaalsContact C-N 3.29Å; Q206-A208 PolarHBondContact O-N 3.23Å
209	L	36	Very low	36.9	Very low	126 Å²	126	141.8 Å²	141.8	66%	0.66	66%	0.659	S	S	*	*	H	α-helix	trans	-76.1	-38.4	-177.9	-75.5	165.8	0	0	0	113.6	L205 Q206	L205-L209 WeakPolarHBondContact O-CG 3.25Å; L205-L209 PolarHBondContact O-N 2.98Å; Q206-L209 PolarHBondContact O-N 3.36Å
210	Y	47.3	Very low	36.9	Very low	201 Å²	201	148.2 Å²	148.2	79%	0.788	68%	0.68	S	S	*	*	H	α-helix	trans	-96.8	-0.1	-175.3	-60.9	-67.5	0	0	0	114.4	Q206 R212	Q206-Y210 VanDerWaalsContact O-CD2 3.28Å; Q206-Y210 WeakPolarHBondContact O-CD2 3.4Å; Q206-Y210 PolarHBondContact O-N 2.68Å; Y210-R212 PolarHBondContact O-N 2.97Å
211	G	35.2	Very low	36.7	Very low	57 Å²	57	150.4 Å²	150.4	59%	0.588	69%	0.688	S	S	*	*	S	Bend	trans	-75.4	73.2	176.9	0	0	0	0	0	114.9	R207	R207-G211 PolarHBondContact O-N 3.14Å
212	R	35.4	Very low	36.3	Very low	240 Å²	240	155 Å²	155	91%	0.906	70%	0.701	S	S	*	*	S	Bend	trans	35.7	104.1	169.8	-79.2	-167.3	176.1	-158.3	1	117.5	Y210	Y210-R212 PolarHBondContact O-N 2.97Å
213	K	29.1	Very low	36.2	Very low	206 Å²	206	154.2 Å²	154.2	90%	0.896	71%	0.709	S	S	*	*			trans	-156.5	142.5	130.4	-110.8	162.7	-171.8	177.6	0	110.1	R215	K213-R215 PolarHBondContact O-N 3.31Å
214	K	39.7	Very low	36.3	Very low	217 Å²	217	156.9 Å²	156.9	94%	0.943	73%	0.725	S	S	*	*			trans	-56.4	134.9	176.3	-77.6	-174.2	173.6	-175.4	0	109.7
215	R	29.5	Very low	35.9	Very low	243 Å²	243	154.5 Å²	154.5	92%	0.917	73%	0.734	S	S	*	*			trans	-131.5	144.2	158.8	-71.2	-171.4	175.9	-168.5	-0.6	107.3	K213	K213-R215 PolarHBondContact O-N 3.31Å
216	E	29.1	Very low	35.8	Very low	183 Å²	183	156.4 Å²	156.4	86%	0.855	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-78.1	153.5	-174.3	-63.8	172.1	153.4	0	0	111.3	C218	E216-C218 PolarHBondContact O-N 2.97Å
217	P	28.9	Very low	35.6	Very low	120 Å²	120	159.2 Å²	159.2	78%	0.779	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.4	135.4	173.4	-21.4	33.5	0	0	0	111.4
218	C	31.8	Very low	35.1	Very low	85 Å²	85	157.3 Å²	157.3	57%	0.574	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-67.7	147	175.4	59.4	0	0	0	0	111.4	E216 R220	E216-C218 PolarHBondContact O-N 2.97Å; C218-R220 PolarHBondContact O-N 3.5Å
219	Q	36.5	Very low	34.6	Very low	163 Å²	163	161.6 Å²	161.6	76%	0.762	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-64	-8.8	-170.3	-69.4	175	-25.4	0	0	115.4	W221 R222	Q219-W221 PolarHBondContact O-N 3.45Å; Q219-R222 PolarHBondContact O-N 2.98Å
220	R	39.3	Very low	34.2	Very low	223 Å²	223	161.7 Å²	161.7	84%	0.842	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-57.9	-20	-177.4	-92.5	-174.7	170	180	-3.7	115.4	C218 R222	C218-R220 PolarHBondContact O-N 3.5Å; R220-R222 PolarHBondContact O-N 3.12Å
221	W	38.1	Very low	33.1	Very low	196 Å²	196	156 Å²	156	74%	0.742	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-82.3	-6.7	-174.7	-66.5	93.1	0	0	0	115	Q219	Q219-W221 PolarHBondContact O-N 3.45Å
222	R	33.4	Very low	32.7	Very low	208 Å²	208	158.1 Å²	158.1	79%	0.785	81%	0.807	S	S	*	*	G	3₁₀ helix	trans	-79.6	-24.8	-175.6	-128.8	179.6	-77.1	-156.4	-3.4	114.1	Q219 R220 L224	Q219-R222 PolarHBondContact O-N 2.98Å; R220-R222 PolarHBondContact O-N 3.12Å; R222-L224 PolarHBondContact O-N 2.93Å
223	N	36.3	Very low	32.2	Very low	149 Å²	149	153.5 Å²	153.5	80%	0.797	81%	0.806	S	S	*	*	G	3₁₀ helix	trans	-99.9	29	-169.5	-61.5	35.8	0	0	0	113.8
224	L	40.8	Very low	32.2	Very low	116 Å²	116	152.6 Å²	152.6	61%	0.607	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-119.9	-2.7	-176.5	-77.3	169.9	0	0	0	115.1	R222 V226	R222-L224 PolarHBondContact O-N 2.93Å; L224-V226 HydrophobicContact CB-CG2 4.04Å; L224-V226 WeakPolarHBondContact O-CG2 3.41Å; L224-V226 PolarHBondContact O-N 2.86Å; L224-V226 VanDerWaalsContact O-N 3.1Å
225	G	34.4	Very low	31.5	Very low	68 Å²	68	152 Å²	152	70%	0.701	81%	0.805	S	S	*	*			trans	65.6	12.2	169.9	0	0	0	0	0	117.1	L227	G225-L227 VanDerWaalsContact C-N 3.28Å; G225-L227 PolarHBondContact O-N 3.32Å
226	V	35.1	Very low	31.3	Very low	128 Å²	128	149 Å²	149	78%	0.776	80%	0.801	S	S	*	*			trans	-83.8	6.8	-171.6	-157.7	0	0	0	0	113.7	L224	L224-V226 HydrophobicContact CB-CG2 4.04Å; L224-V226 WeakPolarHBondContact O-CG2 3.41Å; L224-V226 PolarHBondContact O-N 2.86Å; L224-V226 VanDerWaalsContact O-N 3.1Å
227	L	33.3	Very low	31.1	Very low	169 Å²	169	148.8 Å²	148.8	89%	0.885	80%	0.801	S	S	*	*			trans	-136	75.9	-173.2	-89.8	167.5	0	0	0	112.9	G225	G225-L227 VanDerWaalsContact C-N 3.28Å; G225-L227 PolarHBondContact O-N 3.32Å
228	T	28.5	Very low	30.9	Very low	126 Å²	126	150.6 Å²	150.6	77%	0.773	80%	0.803	S	S	*	*			trans	-138.4	45.7	172.1	-28.5	0	0	0	0	112.6
229	I	29.7	Very low	30.6	Very low	169 Å²	169	154.3 Å²	154.3	87%	0.867	82%	0.816	S	S	*	*	S	Bend	trans	-130.4	68.5	165.5	-49.1	-178.7	0	0	0	110.1
230	C	26.7	Very low	30	Very low	129 Å²	129	154.7 Å²	154.7	87%	0.872	82%	0.82	S	S	*	*	S	Bend	trans	-172.6	151.2	142.4	-103.8	0	0	0	0	108.2
231	G	24.5	Very low	29.6	Very low	80 Å²	80	148.4 Å²	148.4	83%	0.825	81%	0.81	S	S	*	*			trans	-73.5	161.3	-171.2	0	0	0	0	0	114.4
232	A	27.7	Very low	29.4	Very low	102 Å²	102	144.9 Å²	144.9	84%	0.843	81%	0.813	S	S	*	*			trans	-84.5	151.5	173.1	0	0	0	0	0	112.2
233	T	24.7	Very low	28.9	Very low	143 Å²	143	139.4 Å²	139.4	88%	0.877	81%	0.812	S	S	*	*			trans	-137.5	146.8	152.8	46	0	0	0	0	108.3
234	E	27.6	Very low	28.5	Very low	187 Å²	187	141.6 Å²	141.6	87%	0.874	82%	0.818	S	S	*	*			trans	-79	149.3	-178.7	-58.3	137.1	141.3	0	0	111.4
235	E	25.6	Very low	27.7	Very low	204 Å²	204	146.6 Å²	146.6	95%	0.953	83%	0.828	S	S	*	*			trans	-159.1	137.7	141.3	-118.2	171.1	-153.4	0	0	109.7
236	E	26.1	Very low	27.4	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	83%	0.834	S	S	*	*			trans	-117.4	149.8	-167.8	-112.3	-173.4	155.7	0	0	112.8
237	E	24.5	Very low	27.1	Very low	180 Å²	180	157 Å²	157	84%	0.841	84%	0.838	S	S	*	*			trans	58.4	-177.1	161.2	-61.7	-149.6	120.9	0	0	119.2
238	L	24.3	Very low	26.7	Very low	157 Å²	157	156.5 Å²	156.5	82%	0.822	84%	0.835	S	S	*	*			trans	73.7	121.6	-169.7	-53.8	174.4	0	0	0	114.6
239	L	25.4	Very low	26.5	Very low	163 Å²	163	153.6 Å²	153.6	85%	0.853	83%	0.83	S	S	*	*			cis	-149.6	161.9	2.4	-99.3	162.2	0	0	0	111
240	M	23.4	Very low	26.3	Very low	171 Å²	171	150.3 Å²	150.3	84%	0.842	82%	0.822	S	S	*	*			trans	-84.3	162.5	176.7	-91.9	-81.5	-86.4	0	0	114.5
241	S	30.8	Very low	26.3	Very low	92 Å²	92	152.6 Å²	152.6	64%	0.643	82%	0.817	S	S	*	*			trans	-48.1	164.8	173.4	79.5	0	0	0	0	114.9
242	P	33.8	Very low	26.4	Very low	121 Å²	121	154.4 Å²	154.4	79%	0.786	81%	0.808	S	S	*	*				-155.9	-169.2	53.8	43.3	-20.9	0	0	0	118.7
243	A	23.5	Very low	26.3	Very low	94 Å²	94	158.1 Å²	158.1	78%	0.777	81%	0.805	S	S	*	*			trans	80.9	145.5	175.4	0	0	0	0	0	115.8
244	E	28.2	Very low	26.3	Very low	195 Å²	195	156.7 Å²	156.7	91%	0.911	80%	0.796	S	S	*	*			cis	-111.7	-179.8	11.8	-61.7	-171.6	113.2	0	0	115.3
245	R	24.8	Very low	26.1	Very low	220 Å²	220	154.9 Å²	154.9	83%	0.83	79%	0.79	S	S	*	*			trans	-139.1	150.1	-176.3	-79.6	174.8	160.3	176.7	-4.9	112.1
246	K	27.9	Very low	26	Very low	188 Å²	188	151.4 Å²	151.4	82%	0.817	78%	0.775	S	S	*	*			trans	70.6	153.5	158.4	-73.8	167.6	178.9	177.4	0	115.3
247	R	28.1	Very low	25.9	Very low	228 Å²	228	151.1 Å²	151.1	86%	0.86	77%	0.771	S	S	*	*			cis	-140.4	175.3	9.3	-98.7	139.5	162.7	173.1	-5.7	108.2
248	L	25.4	Very low	25.9	Very low	158 Å²	158	147.9 Å²	147.9	83%	0.827	77%	0.768	S	S	*	*			cis	-122.9	-121.2	-2.6	-154.7	69.1	0	0	0	108.3
249	G	23.4	Very low	25.8	Very low	65 Å²	65	143.3 Å²	143.3	67%	0.67	76%	0.759	S	S	*	*			cis	116.2	147.5	-19	0	0	0	0	0	117.4
250	S	25.7	Very low	25.7	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	76%	0.759	S	S	*	*			cis	-171.8	155	-14.9	-162	0	0	0	0	111.8
251	K	26.8	Very low	25.7	Very low	178 Å²	178	141 Å²	141	77%	0.774	76%	0.755	S	S	*	*			trans	69.5	155.7	166.8	-64.1	170.7	-174	174.4	0	116
252	N	25.7	Very low	25.3	Very low	118 Å²	118	141.1 Å²	141.1	63%	0.631	76%	0.761	S	S	*	*			cis	-164.3	143.8	-10.4	-115.2	-11.4	0	0	0	111.7
253	K	27	Very low	24.7	Very low	179 Å²	179	139.9 Å²	139.9	78%	0.778	76%	0.761	S	S	*	*			trans	59.8	165.4	144.9	-62.6	-175.2	176.5	-174.4	0	117.5
254	T	24	Very low	24.6	Very low	114 Å²	114	141 Å²	141	70%	0.699	76%	0.763	S	S	*	*			cis	-151.9	146.3	6.9	-11.9	0	0	0	0	110
255	M	24.1	Very low	24.4	Very low	149 Å²	149	136.6 Å²	136.6	73%	0.734	75%	0.754	S	S	*	*				38.3	151.7	129.4	-67.8	-172.3	128.2	0	0	122
256	M	23.8	Very low	24.3	Very low	131 Å²	131	134.4 Å²	134.4	65%	0.645	76%	0.757	S	S	*	*			cis	-156	159.8	17.7	-133.5	-175.4	-150.7	0	0	112.1
257	K	24	Very low	24.1	Very low	174 Å²	174	128.9 Å²	128.9	76%	0.757	75%	0.753	S	S	*	*				27	155.4	129.2	-75.1	-175.1	179.9	-172.6	0	121.6
258	S	24.2	Very low	23.9	Very low	111 Å²	111	126.4 Å²	126.4	78%	0.776	76%	0.756	S	S	*	*			cis	177.4	159.9	-9.5	51.4	0	0	0	0	111.5
259	G	22.8	Very low	23.8	Very low	61 Å²	61	126 Å²	126	63%	0.629	76%	0.76	S	S	*	*			trans	134.4	134.8	166.7	0	0	0	0	0	111.8
260	L	23.1	Very low	23.7	Very low	164 Å²	164	127.8 Å²	127.8	86%	0.859	77%	0.769	S	S	*	*			cis	70.6	130.1	43.9	-55.5	168.8	0	0	0	111.6
261	T	22	Very low	23.6	Very low	123 Å²	123	127.8 Å²	127.8	76%	0.755	77%	0.769	S	S	*	*			cis	-164.4	148	10.8	-3.8	0	0	0	0	114.2
262	A	21.9	Very low	23.4	Very low	93 Å²	93	128.3 Å²	128.3	77%	0.769	77%	0.774	S	S	*	*			trans	59.4	163.4	135.7	0	0	0	0	0	124.5
263	A	22.1	Very low	23.2	Very low	96 Å²	96	133.8 Å²	133.8	79%	0.793	79%	0.786	S	S	*	*			trans	75.2	146.4	161.9	0	0	0	0	0	118.9
264	S	22.3	Very low	23	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	80%	0.795	S	S	*	*			cis	-162.9	167.5	-20.1	50.2	0	0	0	0	112.1
265	S	23.1	Very low	23	Very low	104 Å²	104	140.9 Å²	140.9	73%	0.727	80%	0.8	S	S	*	*			trans	-65.2	173.5	-178.6	49.6	0	0	0	0	117.3
266	I	23.6	Very low	22.9	Very low	174 Å²	174	139.1 Å²	139.1	89%	0.892	80%	0.802	S	S	*	*			trans	123.5	133	164.4	-67.4	158.6	0	0	0	110.8
267	G	22.5	Very low	22.8	Very low	72 Å²	72	140 Å²	140	74%	0.742	81%	0.808	S	S	*	*			cis	-173.6	-178.6	-0.6	0	0	0	0	0	113.6
268	L	24.1	Very low	22.8	Very low	176 Å²	176	137.5 Å²	137.5	92%	0.921	81%	0.807	S	S	*	*			trans	-84.4	143.4	-175.3	-68.5	161	0	0	0	113.7
269	T	23.1	Very low	22.7	Very low	149 Å²	149	137 Å²	137	91%	0.914	81%	0.81	S	S	*	*			trans	-145.9	162.4	144.1	48.6	0	0	0	0	110.1
270	A	21.5	Very low	22.6	Very low	103 Å²	103	138.3 Å²	138.3	85%	0.851	81%	0.809	S	S	*	*			trans	-145.3	149.2	-178	0	0	0	0	0	111.4
271	S	23.1	Very low	22.7	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	81%	0.811	S	S	*	*			trans	-161.7	126	159.4	-153.3	0	0	0	0	116.1
272	Q	23.6	Very low	22.7	Very low	189 Å²	189	140.1 Å²	140.1	88%	0.883	81%	0.813	S	S	*	*			trans	63.2	136.8	138.1	-66.9	173.2	13.4	0	0	123.6
273	R	22.1	Very low	22.8	Very low	233 Å²	233	143.6 Å²	143.6	88%	0.879	81%	0.813	S	S	*	*			trans	-89.7	159.4	176.7	-55.9	161.7	167.8	159.3	-7	112.5
274	R	22.5	Very low	22.9	Very low	253 Å²	253	148.4 Å²	148.4	96%	0.955	82%	0.82	S	S	*	*			trans	-137.2	171	141.7	-72.8	-162.8	173.5	-175.2	-1.2	111.1
275	K	22.9	Very low	23	Very low	188 Å²	188	150.3 Å²	150.3	82%	0.817	82%	0.815	S	S	*	*			trans	-143.5	144	-171.8	-78	-173.9	172.6	-172.3	0	113.2
276	S	22.4	Very low	23.2	Very low	112 Å²	112	155.5 Å²	155.5	78%	0.783	83%	0.825	S	S	*	*			trans	-159.8	141	149.1	40.4	0	0	0	0	106.9
277	I	22.8	Very low	23.4	Very low	149 Å²	149	153 Å²	153	76%	0.764	82%	0.823	S	S	*	*			cis	79.2	122.6	27.9	-55.2	175.9	0	0	0	112.5
278	V	22.4	Very low	23.6	Very low	122 Å²	122	151.9 Å²	151.9	74%	0.739	81%	0.811	S	S	*	*			cis	-162.8	151.7	-23.5	116.7	0	0	0	0	108.6
279	A	22.3	Very low	23.9	Very low	100 Å²	100	149.6 Å²	149.6	83%	0.826	81%	0.81	S	S	*	*			trans	-147.1	155.3	161.2	0	0	0	0	0	111
280	S	22	Very low	24.3	Very low	89 Å²	89	145.5 Å²	145.5	62%	0.622	79%	0.788	S	S	*	*			trans	-168.6	86.3	-139.4	53.3	0	0	0	0	115.8
281	F	23.5	Very low	24.9	Very low	202 Å²	202	146.1 Å²	146.1	89%	0.886	79%	0.786	S	S	*	*			trans	-152.8	151.9	169.4	-78.4	-57.1	0	0	0	113.2
282	P	23.9	Very low	25.4	Very low	124 Å²	124	144.2 Å²	144.2	81%	0.805	77%	0.766	S	S	*	*				-117.6	174.1	-52.8	21	-0.6	0	0	0	111.6
283	E	22.1	Very low	25.9	Very low	166 Å²	166	140.5 Å²	140.5	78%	0.776	76%	0.761	S	S	*	*			trans	-87.2	148	-175.8	-60.5	-177.5	103.9	0	0	114.3
284	E	25.1	Very low	26.7	Very low	197 Å²	197	133.5 Å²	133.5	92%	0.921	74%	0.738	S	S	*	*			trans	-123.2	130.2	144.2	-80.2	-163.9	151.6	0	0	109
285	H	24.1	Very low	27.3	Very low	155 Å²	155	130.8 Å²	130.8	72%	0.718	74%	0.736	S	S	*	*			trans	-74.7	138.4	-178.2	-51.6	-65.7	0	0	0	112
286	F	28.4	Very low	28	Very low	213 Å²	213	130.7 Å²	130.7	93%	0.934	74%	0.739	S	S	*	*			trans	-153.5	126.7	137.7	-118.3	-73.1	0	0	0	112.4
287	S	27.9	Very low	29	Very low	122 Å²	122	131.6 Å²	131.6	85%	0.853	73%	0.73	S	S	*	*			trans	-69.7	147.3	-179.5	-174	0	0	0	0	112.2
288	G	26.4	Very low	29.5	Very low	48 Å²	48	133.3 Å²	133.3	50%	0.495	74%	0.735	S	S	.	*			trans	171.3	55.2	-178.7	0	0	0	0	0	113	S290	G288-S290 PolarHBondContact O-N 3.48Å
289	S	29.3	Very low	30.1	Very low	129 Å²	129	136.2 Å²	136.2	90%	0.902	74%	0.741	S	S	*	*			trans	-57	123.3	177.9	-172.8	0	0	0	0	110.9
290	S	32.4	Very low	30.6	Very low	63 Å²	63	136.4 Å²	136.4	44%	0.441	73%	0.732	S	S	.	*			trans	-156.6	106.7	174.9	-179.7	0	0	0	0	106.6	G288 E292	G288-S290 PolarHBondContact O-N 3.48Å; S290-E292 PolarHBondContact O-N 3.18Å
291	S	33.2	Very low	31.2	Very low	116 Å²	116	141.3 Å²	141.3	81%	0.811	75%	0.745	S	S	*	*			trans	-75.9	69.3	-177.8	-172.1	0	0	0	0	110.7	S293	S291-S293 VanDerWaalsContact C-N 3.35Å; S291-S293 PolarHBondContact O-N 3.2Å
292	E	35.1	Very low	32	Very low	59 Å²	59	141 Å²	141	28%	0.276	74%	0.738	S	S	.	*			trans	-77.1	89.3	160	-69.6	179.5	171.5	0	0	107	S290 E294 R429 S482	S290-E292 PolarHBondContact O-N 3.18Å; E292-E294 PolarHBondContact O-N 3.16Å; E292-R429 IonicContact OE2-CZ 3.8Å; E292-R429 IonicContact OE2-NH1 3.23Å; E292-R429 PolarHBondContact OE2-NH1 3.16Å; E292-S482 VanDerWaalsContact OE1-CB 3.28Å; E292-S482 WeakPolarHBondContact OE1-CB 3.39Å; E292-S482 PolarHBondContact OE1-N 3.37Å; E292-S482 PolarHBondContact OE1-OG 3.39Å
293	S	32.5	Very low	32.9	Very low	110 Å²	110	146 Å²	146	77%	0.769	74%	0.741	S	S	*	*			trans	-71.9	106.2	170.9	50.5	0	0	0	0	109	S291	S291-S293 VanDerWaalsContact C-N 3.35Å; S291-S293 PolarHBondContact O-N 3.2Å
294	E	40.2	Very low	33.9	Very low	86 Å²	86	142.9 Å²	142.9	40%	0.402	74%	0.735	S	S	.	*	P	Polyproline II helix	trans	-91.4	132.6	170.9	-60.2	-168.4	144.9	0	0	108.2	E292 E296 R429 R432	E292-E294 PolarHBondContact O-N 3.16Å; E294-E296 PolarHBondContact O-N 3.43Å; E294-R429 WeakPolarHBondContact OE2-CB 3.48Å; E294-R429 PolarHBondContact OE2-N 2.84Å; E294-R432 IonicContact OE1-CZ 3.38Å; E294-R432 IonicContact OE1-NH2 2.73Å; E294-R432 PolarHBondContact OE1-NH2 3.37Å
295	E	34.5	Very low	34.1	Very low	196 Å²	196	140.3 Å²	140.3	92%	0.916	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-70.3	121.7	164.6	-68.2	168.2	168	0	0	107.2	E297	E295-E297 PolarHBondContact O-N 3.22Å
296	E	38	Very low	35	Very low	187 Å²	187	139.2 Å²	139.2	87%	0.874	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-78.1	119.6	175.1	-63.5	-169.9	139.7	0	0	108.6	E294 E298	E294-E296 PolarHBondContact O-N 3.43Å; E296-E298 PolarHBondContact O-N 3.45Å
297	E	41.9	Very low	35.6	Very low	130 Å²	130	131.7 Å²	131.7	61%	0.607	71%	0.706	S	S	*	*			trans	-57	109.6	177.3	-70.2	174.9	147.1	0	0	109.3	E295 Q299 R391	E295-E297 PolarHBondContact O-N 3.22Å; E297-Q299 PolarHBondContact O-N 2.72Å; E297-R391 IonicContact OE1-NH2 3.6Å; E297-R391 PolarHBondContact OE1-NH2 2.82Å; E297-R391 IonicContact OE2-CZ 2.89Å; E297-R391 IonicContact OE2-NH2 2.91Å; E297-R391 PolarHBondContact OE2-NH2 2.88Å
298	E	35	Very low	36.6	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.864	70%	0.699	S	S	*	*			trans	-63.5	122	-166.8	-168	169.9	-139.7	0	0	111.7	E296 T300	E296-E298 PolarHBondContact O-N 3.45Å; E298-T300 PolarHBondContact O-N 3.48Å
299	Q	34.3	Very low	37.7	Very low	183 Å²	183	136.1 Å²	136.1	86%	0.855	71%	0.708	S	S	*	*			trans	-69.6	105.6	-174.8	-70.3	-175	-14.3	0	0	110.6	E297 E301	E297-Q299 PolarHBondContact O-N 2.72Å; Q299-E301 PolarHBondContact O-N 3.41Å; Q299-E301 VanDerWaalsContact O-N 3.1Å
300	T	31.9	Very low	38.9	Very low	105 Å²	105	132.8 Å²	132.8	64%	0.644	68%	0.68	S	S	*	*			trans	-77.4	94.7	172.1	-47.8	0	0	0	0	109.4	E298 R302	E298-T300 PolarHBondContact O-N 3.48Å; T300-R302 HydrophobicContact CG2-CG 4Å; T300-R302 PolarHBondContact O-N 2.97Å
301	E	35.5	Very low	40.3	Very low	192 Å²	192	136.6 Å²	136.6	90%	0.897	69%	0.691	S	S	*	*			trans	-56.2	121	166.7	-74.2	-166.4	140.9	0	0	109.6	Q299	Q299-E301 PolarHBondContact O-N 3.41Å; Q299-E301 VanDerWaalsContact O-N 3.1Å
302	R	40.7	Very low	42.3	Very low	196 Å²	196	134.4 Å²	134.4	74%	0.74	68%	0.676	S	S	*	*			trans	-126.5	119.4	174	-73.7	-172.9	172.7	173.1	-1.2	111	T300	T300-R302 HydrophobicContact CG2-CG 4Å; T300-R302 PolarHBondContact O-N 2.97Å
303	R	42.2	Very low	44.5	Very low	228 Å²	228	134 Å²	134	86%	0.86	67%	0.674	S	S	*	*			trans	-74.4	136.6	158.7	-61.8	178.9	-179.9	-175.9	-1.3	108.9
304	P	42.7	Very low	47	Very low	100 Å²	100	132.5 Å²	132.5	65%	0.649	65%	0.652	S	S	*	*			trans	-91.9	110.1	164.5	32.4	-28	0	0	0	110.4	T306 L310	P304-T306 PolarHBondContact O-N 3.37Å; P304-L310 HydrophobicContact CB-CD2 4.33Å
305	D	30.5	Very low	49.1	Very low	143 Å²	143	135.5 Å²	135.5	77%	0.765	66%	0.659	S	S	*	*			trans	-82.7	112.9	169.4	-76	-47.2	0	0	0	110.7
306	T	43.4	Very low	51.6	Low	132 Å²	132	130.9 Å²	130.9	81%	0.81	64%	0.638	S	S	*	*			trans	37.6	114.3	159.5	55.6	0	0	0	0	121	P304	P304-T306 PolarHBondContact O-N 3.37Å
307	S	39.2	Very low	54.1	Low	56 Å²	56	122 Å²	122	39%	0.392	60%	0.596	S	S	.	*			trans	-150	158.7	133.1	92.6	0	0	0	0	110.9	E309 L310	S307-E309 VanDerWaalsContact C-N 3.34Å; S307-E309 PolarHBondContact OG-N 3.13Å; S307-L310 VanDerWaalsContact O-CB 3.26Å; S307-L310 WeakPolarHBondContact O-CB 3.43Å; S307-L310 PolarHBondContact O-N 3.47Å; S307-L310 PolarHBondContact OG-N 3.16Å
308	T	49.3	Very low	56.4	Low	116 Å²	116	119.8 Å²	119.8	71%	0.712	59%	0.586	S	S	*	*	S	Bend	trans	-73.1	-24.2	174.9	26.8	0	0	0	0	113.3	L310 Q311	T308-L310 VanDerWaalsContact C-N 3.27Å; T308-L310 PolarHBondContact O-N 3.12Å; T308-Q311 PolarHBondContact O-N 3.05Å
309	E	49.3	Very low	58.9	Low	146 Å²	146	115.2 Å²	115.2	68%	0.682	56%	0.563	S	S	*	*	H	α-helix	trans	-67.1	-30.8	173.9	-59.5	-178.6	141.6	0	0	111.6	S307 Q311 S312 E313	S307-E309 VanDerWaalsContact C-N 3.34Å; S307-E309 PolarHBondContact OG-N 3.13Å; E309-Q311 PolarHBondContact O-N 3.4Å; E309-S312 PolarHBondContact O-N 3.11Å; E309-S312 PolarHBondContact O-OG 3.14Å; E309-E313 PolarHBondContact O-N 3.48Å
310	L	54.7	Low	61.6	Low	59 Å²	59	107.4 Å²	107.4	31%	0.309	53%	0.527	S	S	.	.	H	α-helix	trans	-57.1	-31.8	174.1	-148.1	79.2	0	0	0	112.2	P304 S307 T308 Y314 V348	P304-L310 HydrophobicContact CB-CD2 4.33Å; S307-L310 VanDerWaalsContact O-CB 3.26Å; S307-L310 WeakPolarHBondContact O-CB 3.43Å; S307-L310 PolarHBondContact O-N 3.47Å; S307-L310 PolarHBondContact OG-N 3.16Å; T308-L310 VanDerWaalsContact C-N 3.27Å; T308-L310 PolarHBondContact O-N 3.12Å; L310-Y314 WeakPolarHBondContact O-CB 3.43Å; L310-Y314 PolarHBondContact O-N 3.25Å; L310-V348 HydrophobicContact CD1-CB 4.37Å; L310-V348 HydrophobicContact CD1-CG1 3.77Å; L310-V348 HydrophobicContact CD1-CG2 3.68Å; L310-V348 HydrophobicContact CG-CG1 4.06Å
311	Q	62.5	Low	64.5	Low	143 Å²	143	102.5 Å²	102.5	67%	0.668	50%	0.497	S	S	*	.	H	α-helix	trans	-80.2	-33.2	179.7	-62.8	-175.4	-37.6	0	0	112.8	T308 E309 W315	T308-Q311 PolarHBondContact O-N 3.05Å; E309-Q311 PolarHBondContact O-N 3.4Å; Q311-W315 WeakPolarHBondContact O-CB 3.22Å; Q311-W315 PolarHBondContact O-N 3.16Å
312	S	73.9	Confident	67	Low	71 Å²	71	100.8 Å²	100.8	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-74.1	-41.4	-178.7	61.4	0	0	0	0	112.1	E309 W315 Q316	E309-S312 PolarHBondContact O-N 3.11Å; E309-S312 PolarHBondContact O-OG 3.14Å; S312-W315 PolarHBondContact O-N 3.02Å; S312-Q316 PolarHBondContact O-N 3.48Å
313	E	81.6	Confident	69.1	Low	50 Å²	50	97.3 Å²	97.3	23%	0.234	47%	0.474	C	S	.	.	H	α-helix	trans	-63	-45.6	173.9	-61.7	-161.9	137.1	0	0	111.1	E309 W315 Q316 V317 K346 I349	E309-E313 PolarHBondContact O-N 3.48Å; E313-W315 PolarHBondContact O-N 3.18Å; E313-Q316 PolarHBondContact O-N 3.23Å; E313-V317 WeakPolarHBondContact O-CG2 3.2Å; E313-V317 PolarHBondContact O-N 2.99Å; E313-K346 IonicContact OE1-NZ 2.68Å; E313-K346 PolarHBondContact OE1-NZ 3.15Å; E313-K346 WeakPolarHBondContact OE2-CD 3.27Å; E313-K346 IonicContact OE2-NZ 3.79Å; E313-K346 PolarHBondContact OE2-NZ 2.99Å; E313-K346 VanDerWaalsContact OE2-NZ 3.11Å; E313-I349 HydrophobicContact CB-CD1 4.44Å; E313-I349 HydrophobicContact CB-CG1 4.29Å
314	Y	85	Confident	71.3	Confident	78 Å²	78	87.1 Å²	87.1	31%	0.306	44%	0.437	S	S	.	.	H	α-helix	trans	-60.7	-42.3	176.7	-170.3	-82.6	0	0	0	112.1	L310 V317 Q318 A352 L356	L310-Y314 WeakPolarHBondContact O-CB 3.43Å; L310-Y314 PolarHBondContact O-N 3.25Å; Y314-V317 PolarHBondContact O-N 2.95Å; Y314-Q318 WeakPolarHBondContact O-CB 3.44Å; Y314-Q318 PolarHBondContact O-N 3.45Å; Y314-A352 HydrophobicContact CD2-CB 3.5Å; Y314-A352 VanDerWaalsContact CD2-CB 3.5Å; Y314-A352 HydrophobicContact CE2-CB 3.78Å; Y314-A352 HydrophobicContact CG-CB 4.27Å; Y314-L356 HydrophobicContact CE1-CD1 4.15Å; Y314-L356 HydrophobicContact CE1-CD2 4.02Å; Y314-L356 HydrophobicContact CE1-CG 4.31Å
315	W	84.4	Confident	73.5	Confident	150 Å²	150	88.4 Å²	88.4	57%	0.568	43%	0.433	S	S	*	.	H	α-helix	trans	-67.8	-35.3	177.4	-170.8	85	0	0	0	112.8	Q311 S312 E313 Q318 K319	Q311-W315 WeakPolarHBondContact O-CB 3.22Å; Q311-W315 PolarHBondContact O-N 3.16Å; S312-W315 PolarHBondContact O-N 3.02Å; E313-W315 PolarHBondContact O-N 3.18Å; W315-Q318 PolarHBondContact O-N 3.31Å; W315-K319 HydrophobicContact CH2-CD 3.98Å; W315-K319 HydrophobicContact CZ3-CD 3.89Å; W315-K319 WeakPolarHBondContact O-CB 3.33Å; W315-K319 PolarHBondContact O-N 2.88Å
316	Q	88.5	Confident	75.8	Confident	98 Å²	98	85.9 Å²	85.9	46%	0.458	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-43.4	172.8	-175.9	173	-7.5	0	0	111.3	S312 E313 K319 L320 L342	S312-Q316 PolarHBondContact O-N 3.48Å; E313-Q316 PolarHBondContact O-N 3.23Å; Q316-K319 PolarHBondContact O-N 3.18Å; Q316-L320 HydrophobicContact CG-CD1 4.28Å; Q316-L320 WeakPolarHBondContact O-CG 3.39Å; Q316-L320 PolarHBondContact O-N 3.4Å; Q316-L342 HydrophobicContact CG-CD2 4.11Å
317	V	89.8	Confident	77.5	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-61.9	-45.5	172.5	178.8	0	0	0	0	111	E313 Y314 K319 L320 V321 L342 I349 A352 I353 L356	E313-V317 WeakPolarHBondContact O-CG2 3.2Å; E313-V317 PolarHBondContact O-N 2.99Å; Y314-V317 PolarHBondContact O-N 2.95Å; V317-K319 VanDerWaalsContact C-N 3.3Å; V317-K319 PolarHBondContact O-N 3.25Å; V317-L320 PolarHBondContact O-N 3.23Å; V317-V321 HydrophobicContact CG1-CG2 3.97Å; V317-V321 WeakPolarHBondContact O-CB 3.24Å; V317-V321 WeakPolarHBondContact O-CG2 3.27Å; V317-V321 PolarHBondContact O-N 2.96Å; V317-L342 HydrophobicContact CG2-CD1 3.87Å; V317-I349 HydrophobicContact CG2-CG2 4Å; V317-A352 HydrophobicContact CB-CB 4Å; V317-A352 HydrophobicContact CG1-CB 3.87Å; V317-A352 HydrophobicContact CG2-CB 4.13Å; V317-I353 HydrophobicContact CG1-CB 4.45Å; V317-I353 HydrophobicContact CG1-CG1 3.59Å; V317-L356 HydrophobicContact CB-CD1 4.14Å; V317-L356 HydrophobicContact CG1-CD1 3.73Å
318	Q	90.1	Very high	79.7	Confident	84 Å²	84	83.3 Å²	83.3	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-56.5	-43.3	176.6	-178.5	177.4	77.4	0	0	112.1	Y314 W315 K322 L356	Y314-Q318 WeakPolarHBondContact O-CB 3.44Å; Y314-Q318 PolarHBondContact O-N 3.45Å; W315-Q318 PolarHBondContact O-N 3.31Å; Q318-K322 WeakPolarHBondContact O-CB 3.35Å; Q318-K322 PolarHBondContact O-N 2.93Å; Q318-L356 VanDerWaalsContact CA-CD1 3.49Å; Q318-L356 HydrophobicContact CB-CD1 3.79Å; Q318-L356 HydrophobicContact CB-CD2 4Å; Q318-L356 HydrophobicContact CG-CD2 3.91Å
319	K	87.5	Confident	81.3	Confident	90 Å²	90	82.6 Å²	82.6	39%	0.391	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-46.7	177.1	-173.2	178.9	-179.1	-175.3	0	111.8	W315 Q316 V317 K322 Y323	W315-K319 HydrophobicContact CH2-CD 3.98Å; W315-K319 HydrophobicContact CZ3-CD 3.89Å; W315-K319 WeakPolarHBondContact O-CB 3.33Å; W315-K319 PolarHBondContact O-N 2.88Å; Q316-K319 PolarHBondContact O-N 3.18Å; V317-K319 VanDerWaalsContact C-N 3.3Å; V317-K319 PolarHBondContact O-N 3.25Å; K319-K322 PolarHBondContact O-N 3.13Å; K319-Y323 HydrophobicContact CD-CE2 4.22Å; K319-Y323 WeakPolarHBondContact CE-OH 3.49Å; K319-Y323 HydrophobicContact CG-CD2 4.27Å; K319-Y323 HydrophobicContact CG-CE2 3.63Å; K319-Y323 WeakPolarHBondContact O-CD2 3.41Å; K319-Y323 PolarHBondContact O-N 2.88Å
320	L	91.4	Very high	82.9	Confident	18 Å²	18	80 Å²	80	9%	0.094	40%	0.396	C	S	.	.	H	α-helix	trans	-66.9	-47.1	179.3	-69.9	169.2	0	0	0	112.2	Q316 V317 K322 Y323 L324 V335 A338 M339 L342	Q316-L320 HydrophobicContact CG-CD1 4.28Å; Q316-L320 WeakPolarHBondContact O-CG 3.39Å; Q316-L320 PolarHBondContact O-N 3.4Å; V317-L320 PolarHBondContact O-N 3.23Å; L320-K322 VanDerWaalsContact C-N 3.28Å; L320-K322 PolarHBondContact O-N 3.17Å; L320-Y323 PolarHBondContact O-N 2.94Å; L320-Y323 VanDerWaalsContact O-N 3.13Å; L320-L324 PolarHBondContact O-N 3.1Å; L320-V335 HydrophobicContact CB-CG1 4.33Å; L320-V335 HydrophobicContact CD2-CG1 4.28Å; L320-V335 WeakPolarHBondContact O-CG1 3.22Å; L320-A338 HydrophobicContact CD2-CB 3.7Å; L320-M339 HydrophobicContact CB-CG 3.83Å; L320-M339 HydrophobicContact CB-SD 4.38Å; L320-M339 HydrophobicContact CD1-CG 3.88Å; L320-M339 HydrophobicContact CG-CG 4.34Å; L320-L342 HydrophobicContact CD1-CD1 4.05Å; L320-L342 HydrophobicContact CD1-CD2 4.39Å; L320-L342 HydrophobicContact CD1-CG 4.38Å
321	V	91.9	Very high	84.3	Confident	3 Å²	3	78.9 Å²	78.9	2%	0.018	40%	0.395	C	S	.	.	H	α-helix	trans	-61	-37.2	175.5	171.5	0	0	0	0	111.1	V317 L324 K325 M339 L356 L361	V317-V321 HydrophobicContact CG1-CG2 3.97Å; V317-V321 WeakPolarHBondContact O-CB 3.24Å; V317-V321 WeakPolarHBondContact O-CG2 3.27Å; V317-V321 PolarHBondContact O-N 2.96Å; V321-L324 PolarHBondContact O-N 3.19Å; V321-K325 WeakPolarHBondContact O-CG 3.27Å; V321-K325 PolarHBondContact O-N 3.39Å; V321-M339 HydrophobicContact CG2-CE 4.32Å; V321-L356 HydrophobicContact CB-CB 4.37Å; V321-L356 HydrophobicContact CG1-CB 4.04Å; V321-L356 WeakPolarHBondContact CG1-O 3.23Å; V321-L356 HydrophobicContact CG2-CB 4.45Å; V321-L361 HydrophobicContact CG1-CD1 4.02Å
322	K	88.4	Confident	85.5	Confident	156 Å²	156	72.6 Å²	72.6	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-65.3	-40.1	174.1	-176.9	174.1	-179.3	175.5	0	112.5	Q318 K319 L320 K325	Q318-K322 WeakPolarHBondContact O-CB 3.35Å; Q318-K322 PolarHBondContact O-N 2.93Å; K319-K322 PolarHBondContact O-N 3.13Å; L320-K322 VanDerWaalsContact C-N 3.28Å; L320-K322 PolarHBondContact O-N 3.17Å; K322-K325 PolarHBondContact O-N 3.05Å
323	Y	84.5	Confident	86.1	Confident	122 Å²	122	71 Å²	71	48%	0.478	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-40.5	173	-65	-38.3	0	0	0	111.7	K319 L320 K325 A326 A327	K319-Y323 HydrophobicContact CD-CE2 4.22Å; K319-Y323 WeakPolarHBondContact CE-OH 3.49Å; K319-Y323 HydrophobicContact CG-CD2 4.27Å; K319-Y323 HydrophobicContact CG-CE2 3.63Å; K319-Y323 WeakPolarHBondContact O-CD2 3.41Å; K319-Y323 PolarHBondContact O-N 2.88Å; L320-Y323 PolarHBondContact O-N 2.94Å; L320-Y323 VanDerWaalsContact O-N 3.13Å; Y323-K325 PolarHBondContact O-N 2.88Å; Y323-A326 CarbonylContact O-C 3.57Å; Y323-A326 PolarHBondContact O-N 3.03Å; Y323-A327 WeakPolarHBondContact O-CB 3.48Å; Y323-A327 PolarHBondContact O-N 3.28Å
324	L	89.2	Confident	86.3	Confident	15 Å²	15	74.3 Å²	74.3	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-60.3	-29.4	177.9	-159.8	66.1	0	0	0	112.9	L320 V321 A326 T332 V335 L336 M339 L361 L362 L365	L320-L324 PolarHBondContact O-N 3.1Å; V321-L324 PolarHBondContact O-N 3.19Å; L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 2.91Å; L324-T332 HydrophobicContact CD1-CG2 4.01Å; L324-V335 HydrophobicContact CB-CG1 4Å; L324-V335 HydrophobicContact CD1-CB 4.26Å; L324-V335 HydrophobicContact CD1-CG1 3.95Å; L324-L336 HydrophobicContact CD1-CD2 4.27Å; L324-L336 HydrophobicContact CD1-CG 4.27Å; L324-M339 HydrophobicContact CD2-SD 4.27Å; L324-L361 HydrophobicContact CB-CD1 4.07Å; L324-L361 HydrophobicContact CD2-CB 3.91Å; L324-L361 HydrophobicContact CD2-CD1 4.09Å; L324-L361 HydrophobicContact CG-CB 4.43Å; L324-L361 HydrophobicContact CG-CD1 4.25Å; L324-L362 HydrophobicContact CD2-CD2 4.43Å; L324-L365 HydrophobicContact CD1-CD1 4.16Å; L324-L365 HydrophobicContact CD2-CD1 4.38Å
325	K	87.6	Confident	86.6	Confident	127 Å²	127	71.2 Å²	71.2	55%	0.552	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-17	174.4	-68.4	-180	-173.4	178.3	0	114.4	V321 K322 Y323 L356 L361	V321-K325 WeakPolarHBondContact O-CG 3.27Å; V321-K325 PolarHBondContact O-N 3.39Å; K322-K325 PolarHBondContact O-N 3.05Å; Y323-K325 PolarHBondContact O-N 2.88Å; K325-L356 PolarHBondContact NZ-O 2.92Å; K325-L361 HydrophobicContact CD-CD1 4.25Å; K325-L361 HydrophobicContact CG-CD1 3.41Å; K325-L361 VanDerWaalsContact CG-CD1 3.41Å; K325-L361 HydrophobicContact CG-CD2 3.9Å; K325-L361 HydrophobicContact CG-CG 4.25Å
326	A	79.6	Confident	86.9	Confident	90 Å²	90	64.1 Å²	64.1	74%	0.744	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	11.3	-171.5	0	0	0	0	0	113.7	Y323 L324	Y323-A326 CarbonylContact O-C 3.57Å; Y323-A326 PolarHBondContact O-N 3.03Å; L324-A326 VanDerWaalsContact C-N 3.3Å; L324-A326 PolarHBondContact O-N 2.91Å
327	A	78.6	Confident	86.9	Confident	30 Å²	30	62.1 Å²	62.1	25%	0.248	33%	0.33	C	S	.	.			trans	-83.2	146.2	-175.4	0	0	0	0	0	112.8	Y323 A331 T332	Y323-A327 WeakPolarHBondContact O-CB 3.48Å; Y323-A327 PolarHBondContact O-N 3.28Å; A327-A331 HydrophobicContact CB-CB 3.74Å; A327-T332 WeakPolarHBondContact CB-OG1 3.2Å
328	D	85.7	Confident	86.9	Confident	104 Å²	104	63.6 Å²	63.6	56%	0.556	34%	0.343	S	S	*	.			trans	-75.6	178.2	158.5	71.3	37.7	0	0	0	111.2	T330 A331 T332	D328-T330 PolarHBondContact O-N 3.31Å; D328-T330 WeakPolarHBondContact OD1-CA 3.28Å; D328-T330 WeakPolarHBondContact OD1-CB 3.36Å; D328-T330 PolarHBondContact OD1-N 3Å; D328-A331 PolarHBondContact O-N 3.46Å; D328-A331 PolarHBondContact OD1-N 3.41Å; D328-T332 VanDerWaalsContact O-CB 3.25Å; D328-T332 WeakPolarHBondContact O-CB 3.47Å; D328-T332 PolarHBondContact O-N 3.39Å; D328-T332 PolarHBondContact O-OG1 3.1Å
329	Q	82.3	Confident	87.1	Confident	101 Å²	101	59.6 Å²	59.6	47%	0.472	32%	0.324	S	S	.	.	H	α-helix	trans	-56.7	-34	-179.8	-173.9	-174.8	-2.2	0	0	113.6	V333 D370	Q329-V333 PolarHBondContact O-N 3.34Å; Q329-D370 HydrophobicContact CG-CB 3.91Å; Q329-D370 PolarHBondContact NE2-OD1 3.35Å
330	T	83.3	Confident	87.3	Confident	92 Å²	92	57.6 Å²	57.6	56%	0.564	32%	0.317	S	S	*	.	H	α-helix	trans	-80	-47.2	-179.2	-51	0	0	0	0	110.4	D328 T332 V333 L334	D328-T330 PolarHBondContact O-N 3.31Å; D328-T330 WeakPolarHBondContact OD1-CA 3.28Å; D328-T330 WeakPolarHBondContact OD1-CB 3.36Å; D328-T330 PolarHBondContact OD1-N 3Å; T330-T332 PolarHBondContact O-N 3.26Å; T330-V333 PolarHBondContact O-N 3.34Å; T330-L334 WeakPolarHBondContact O-CG 3.41Å; T330-L334 PolarHBondContact O-N 3.32Å; T330-L334 VanDerWaalsContact O-N 3.14Å
331	A	83.9	Confident	87.3	Confident	35 Å²	35	63.5 Å²	63.5	29%	0.289	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-33.3	174.6	0	0	0	0	0	111.8	A327 D328 L334 V335	A327-A331 HydrophobicContact CB-CB 3.74Å; D328-A331 PolarHBondContact O-N 3.46Å; D328-A331 PolarHBondContact OD1-N 3.41Å; A331-L334 PolarHBondContact O-N 2.82Å; A331-V335 WeakPolarHBondContact O-CB 3.35Å; A331-V335 VanDerWaalsContact O-CG2 3.26Å; A331-V335 WeakPolarHBondContact O-CG2 3.48Å; A331-V335 PolarHBondContact O-N 3.14Å
332	T	89.2	Confident	87.3	Confident	11 Å²	11	64.2 Å²	64.2	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-51.1	176.1	-64.6	0	0	0	0	110.5	L324 A327 D328 T330 L334 V335 L336 L365 S373	L324-T332 HydrophobicContact CD1-CG2 4.01Å; A327-T332 WeakPolarHBondContact CB-OG1 3.2Å; D328-T332 VanDerWaalsContact O-CB 3.25Å; D328-T332 WeakPolarHBondContact O-CB 3.47Å; D328-T332 PolarHBondContact O-N 3.39Å; D328-T332 PolarHBondContact O-OG1 3.1Å; T330-T332 PolarHBondContact O-N 3.26Å; T332-L334 VanDerWaalsContact C-N 3.34Å; T332-L334 PolarHBondContact O-N 2.76Å; T332-V335 PolarHBondContact O-N 3.36Å; T332-L336 HydrophobicContact CG2-CD1 3.94Å; T332-L336 HydrophobicContact CG2-CG 4.46Å; T332-L336 VanDerWaalsContact O-CG 3.23Å; T332-L336 WeakPolarHBondContact O-CG 3.47Å; T332-L336 PolarHBondContact O-N 3.42Å; T332-L365 HydrophobicContact CG2-CD1 3.98Å; T332-L365 HydrophobicContact CG2-CD2 3.78Å; T332-S373 WeakPolarHBondContact CG2-OG 3.25Å
333	V	86.4	Confident	87.3	Confident	38 Å²	38	60.7 Å²	60.7	23%	0.23	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-40.8	178.1	177	0	0	0	0	111.4	Q329 T330 L336 C337 R372	Q329-V333 PolarHBondContact O-N 3.34Å; T330-V333 PolarHBondContact O-N 3.34Å; V333-L336 PolarHBondContact O-N 3.19Å; V333-C337 PolarHBondContact O-N 2.96Å; V333-C337 PolarHBondContact O-SG 3.49Å; V333-C337 VanDerWaalsContact O-SG 3.33Å; V333-R372 HydrophobicContact CG2-CB 3.81Å
334	L	84.4	Confident	87.7	Confident	118 Å²	118	55 Å²	55	62%	0.618	32%	0.318	S	S	*	.	H	α-helix	trans	-64.1	-41.2	176.8	-66.9	174.3	0	0	0	112.7	T330 A331 T332 C337 A338	T330-L334 WeakPolarHBondContact O-CG 3.41Å; T330-L334 PolarHBondContact O-N 3.32Å; T330-L334 VanDerWaalsContact O-N 3.14Å; A331-L334 PolarHBondContact O-N 2.82Å; T332-L334 VanDerWaalsContact C-N 3.34Å; T332-L334 PolarHBondContact O-N 2.76Å; L334-C337 PolarHBondContact O-N 3.45Å; L334-A338 PolarHBondContact O-N 2.75Å
335	V	90.9	Very high	87.8	Confident	14 Å²	14	59.5 Å²	59.5	9%	0.085	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-39.5	176	172.6	0	0	0	0	111.2	L320 L324 A331 T332 A338 M339	L320-V335 HydrophobicContact CB-CG1 4.33Å; L320-V335 HydrophobicContact CD2-CG1 4.28Å; L320-V335 WeakPolarHBondContact O-CG1 3.22Å; L324-V335 HydrophobicContact CB-CG1 4Å; L324-V335 HydrophobicContact CD1-CB 4.26Å; L324-V335 HydrophobicContact CD1-CG1 3.95Å; A331-V335 WeakPolarHBondContact O-CB 3.35Å; A331-V335 VanDerWaalsContact O-CG2 3.26Å; A331-V335 WeakPolarHBondContact O-CG2 3.48Å; A331-V335 PolarHBondContact O-N 3.14Å; T332-V335 PolarHBondContact O-N 3.36Å; V335-A338 PolarHBondContact O-N 3.41Å; V335-M339 HydrophobicContact CG1-CG 4.5Å; V335-M339 HydrophobicContact CG1-SD 4.31Å; V335-M339 WeakPolarHBondContact O-CG 3.32Å; V335-M339 PolarHBondContact O-N 2.98Å
336	L	92	Very high	87.9	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-41.9	174.2	-68.6	167.4	0	0	0	111.5	L324 T332 V333 M339 M340 L362 L365 S373 I380	L324-L336 HydrophobicContact CD1-CD2 4.27Å; L324-L336 HydrophobicContact CD1-CG 4.27Å; T332-L336 HydrophobicContact CG2-CD1 3.94Å; T332-L336 HydrophobicContact CG2-CG 4.46Å; T332-L336 VanDerWaalsContact O-CG 3.23Å; T332-L336 WeakPolarHBondContact O-CG 3.47Å; T332-L336 PolarHBondContact O-N 3.42Å; V333-L336 PolarHBondContact O-N 3.19Å; L336-M339 PolarHBondContact O-N 2.66Å; L336-M340 WeakPolarHBondContact O-CG 3.32Å; L336-M340 PolarHBondContact O-N 3.22Å; L336-L362 HydrophobicContact CD2-CD2 3.61Å; L336-L365 HydrophobicContact CD1-CD1 4.14Å; L336-L365 HydrophobicContact CD2-CD1 4.05Å; L336-L365 HydrophobicContact CG-CD1 4.5Å; L336-S373 WeakPolarHBondContact CD1-O 3.2Å; L336-I380 HydrophobicContact CB-CD1 4.36Å; L336-I380 HydrophobicContact CD2-CD1 3.61Å
337	C	88.8	Confident	88.3	Confident	55 Å²	55	57.5 Å²	57.5	37%	0.372	32%	0.316	S	S	.	.	H	α-helix	trans	-59.6	-50.4	172.5	-69.1	0	0	0	0	111.7	V333 L334 M339 M340 D341	V333-C337 PolarHBondContact O-N 2.96Å; V333-C337 PolarHBondContact O-SG 3.49Å; V333-C337 VanDerWaalsContact O-SG 3.33Å; L334-C337 PolarHBondContact O-N 3.45Å; C337-M339 PolarHBondContact O-N 3.49Å; C337-M340 WeakPolarHBondContact O-CA 3.23Å; C337-M340 WeakPolarHBondContact O-CB 3.43Å; C337-M340 PolarHBondContact O-N 3.38Å; C337-D341 PolarHBondContact O-N 2.87Å; C337-D341 VanDerWaalsContact O-N 3.14Å
338	A	90	Very high	88.8	Confident	32 Å²	32	58.6 Å²	58.6	26%	0.264	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-22.6	177.8	0	0	0	0	0	113.9	L320 L334 V335	L320-A338 HydrophobicContact CD2-CB 3.7Å; L334-A338 PolarHBondContact O-N 2.75Å; V335-A338 PolarHBondContact O-N 3.41Å
339	M	93.3	Very high	89.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-79.2	-26.6	169	-73.7	-178.1	71.7	0	0	113	L320 V321 L324 V335 L336 C337 L342 L344 I353 I380	L320-M339 HydrophobicContact CB-CG 3.83Å; L320-M339 HydrophobicContact CB-SD 4.38Å; L320-M339 HydrophobicContact CD1-CG 3.88Å; L320-M339 HydrophobicContact CG-CG 4.34Å; V321-M339 HydrophobicContact CG2-CE 4.32Å; L324-M339 HydrophobicContact CD2-SD 4.27Å; V335-M339 HydrophobicContact CG1-CG 4.5Å; V335-M339 HydrophobicContact CG1-SD 4.31Å; V335-M339 WeakPolarHBondContact O-CG 3.32Å; V335-M339 PolarHBondContact O-N 2.98Å; L336-M339 PolarHBondContact O-N 2.66Å; C337-M339 PolarHBondContact O-N 3.49Å; M339-L342 WeakPolarHBondContact O-CB 3.44Å; M339-L344 WeakPolarHBondContact O-CD1 3.35Å; M339-I353 HydrophobicContact CE-CD1 3.97Å; M339-I353 HydrophobicContact CE-CG1 4Å; M339-I353 HydrophobicContact CE-CG2 4.38Å; M339-I380 HydrophobicContact CB-CD1 3.64Å; M339-I380 HydrophobicContact CB-CG1 4.48Å; M339-I380 HydrophobicContact CE-CD1 4.47Å; M339-I380 HydrophobicContact SD-CD1 4.4Å
340	M	92.4	Very high	89.6	Confident	48 Å²	48	49.6 Å²	49.6	24%	0.236	27%	0.274	C	S	.	.	H	α-helix	trans	-76.2	-23.5	173.8	-71.8	-167.1	-62.5	0	0	113.6	L336 C337 K379 I380	L336-M340 WeakPolarHBondContact O-CG 3.32Å; L336-M340 PolarHBondContact O-N 3.22Å; C337-M340 WeakPolarHBondContact O-CA 3.23Å; C337-M340 WeakPolarHBondContact O-CB 3.43Å; C337-M340 PolarHBondContact O-N 3.38Å; M340-K379 HydrophobicContact CE-CD 4.49Å; M340-K379 HydrophobicContact SD-CB 3.5Å; M340-K379 VanDerWaalsContact SD-CB 3.5Å; M340-K379 HydrophobicContact SD-CD 3.78Å; M340-K379 HydrophobicContact SD-CG 4.25Å; M340-I380 HydrophobicContact CG-CD1 4.41Å; M340-I380 HydrophobicContact CG-CG1 3.76Å
341	D	91	Very high	89.9	Confident	142 Å²	142	47.5 Å²	47.5	76%	0.759	26%	0.259	S	S	*	.	S	Bend	trans	-72.5	-14.5	173.2	-66.4	-37.1	0	0	0	113	C337	C337-D341 PolarHBondContact O-N 2.87Å; C337-D341 VanDerWaalsContact O-N 3.14Å
342	L	91.2	Very high	90.2	Very high	18 Å²	18	45.9 Å²	45.9	9%	0.094	25%	0.246	C	C	.	.	S	Bend	trans	-71.1	153.3	171.4	-57.6	177.9	0	0	0	111.2	Q316 V317 L320 M339 L344 I349	Q316-L342 HydrophobicContact CG-CD2 4.11Å; V317-L342 HydrophobicContact CG2-CD1 3.87Å; L320-L342 HydrophobicContact CD1-CD1 4.05Å; L320-L342 HydrophobicContact CD1-CD2 4.39Å; L320-L342 HydrophobicContact CD1-CG 4.38Å; M339-L342 WeakPolarHBondContact O-CB 3.44Å; L342-L344 HydrophobicContact CB-CD2 4.33Å; L342-L344 HydrophobicContact CB-CG 4.37Å; L342-L344 PolarHBondContact O-N 3.12Å; L342-I349 HydrophobicContact CB-CD1 4.42Å; L342-I349 HydrophobicContact CB-CG2 4.22Å; L342-I349 HydrophobicContact CD1-CG2 4.07Å
343	D	89.9	Confident	90.5	Very high	81 Å²	81	45.4 Å²	45.4	43%	0.433	24%	0.243	S	C	.	.			trans	-75.4	75.4	168.8	-169.6	-1.7	0	0	0	110.9	M345 K346 I349	D343-M345 PolarHBondContact O-N 3.48Å; D343-M345 WeakPolarHBondContact OD1-CB 3.22Å; D343-M345 PolarHBondContact OD1-N 3.13Å; D343-K346 HydrophobicContact CB-CD 4.08Å; D343-K346 HydrophobicContact CB-CG 4.06Å; D343-K346 WeakPolarHBondContact O-CB 3.29Å; D343-K346 PolarHBondContact O-N 3.12Å; D343-K346 WeakPolarHBondContact OD2-CE 3.48Å; D343-I349 HydrophobicContact CB-CD1 4.43Å
344	L	92.6	Very high	90.8	Very high	3 Å²	3	45 Å²	45	2%	0.016	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-1.6	178.9	-65.7	172.5	0	0	0	113.8	M339 L342 I349 Q350 I353 I380 K383 I384	M339-L344 WeakPolarHBondContact O-CD1 3.35Å; L342-L344 HydrophobicContact CB-CD2 4.33Å; L342-L344 HydrophobicContact CB-CG 4.37Å; L342-L344 PolarHBondContact O-N 3.12Å; L344-I349 HydrophobicContact CD2-CG2 4.03Å; L344-Q350 WeakPolarHBondContact O-CG 3.29Å; L344-Q350 PolarHBondContact O-NE2 3.43Å; L344-I353 HydrophobicContact CD2-CD1 3.41Å; L344-I353 VanDerWaalsContact CD2-CD1 3.41Å; L344-I380 HydrophobicContact CD1-CB 4.41Å; L344-I380 HydrophobicContact CD1-CG1 4.23Å; L344-I380 HydrophobicContact CD1-CG2 4.08Å; L344-I380 HydrophobicContact CD2-CG2 4.34Å; L344-K383 HydrophobicContact CB-CB 4.15Å; L344-K383 HydrophobicContact CB-CD 4.03Å; L344-K383 HydrophobicContact CD1-CB 4.44Å; L344-K383 HydrophobicContact CD1-CD 3.62Å; L344-K383 HydrophobicContact CG-CD 4.45Å; L344-I384 HydrophobicContact CB-CG2 4.14Å; L344-I384 HydrophobicContact CD2-CG2 4Å
345	M	90	Very high	91.1	Very high	110 Å²	110	44.4 Å²	44.4	54%	0.542	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.6	169.8	-56.1	-52.4	-62.4	0	0	112.5	D343 E347 Q350	D343-M345 PolarHBondContact O-N 3.48Å; D343-M345 WeakPolarHBondContact OD1-CB 3.22Å; D343-M345 PolarHBondContact OD1-N 3.13Å; M345-E347 PolarHBondContact O-N 3.11Å; M345-Q350 PolarHBondContact O-NE2 3.5Å
346	K	90.7	Very high	91.2	Very high	77 Å²	77	45 Å²	45	34%	0.335	24%	0.24	S	C	.	.	S	Bend	trans	-70.9	123.8	173.2	-67.5	-178.2	179.9	-172.8	0	111	E313 D343 V348 I349 Q350	E313-K346 IonicContact OE1-NZ 2.68Å; E313-K346 PolarHBondContact OE1-NZ 3.15Å; E313-K346 WeakPolarHBondContact OE2-CD 3.27Å; E313-K346 IonicContact OE2-NZ 3.79Å; E313-K346 PolarHBondContact OE2-NZ 2.99Å; E313-K346 VanDerWaalsContact OE2-NZ 3.11Å; D343-K346 HydrophobicContact CB-CD 4.08Å; D343-K346 HydrophobicContact CB-CG 4.06Å; D343-K346 WeakPolarHBondContact O-CB 3.29Å; D343-K346 PolarHBondContact O-N 3.12Å; D343-K346 WeakPolarHBondContact OD2-CE 3.48Å; K346-V348 PolarHBondContact O-N 3.32Å; K346-I349 HydrophobicContact CB-CB 4.32Å; K346-I349 HydrophobicContact CB-CD1 4.35Å; K346-I349 HydrophobicContact CB-CG1 4.25Å; K346-I349 HydrophobicContact CD-CD1 4.02Å; K346-I349 PolarHBondContact O-N 3.4Å; K346-Q350 WeakPolarHBondContact O-CG 3.37Å; K346-Q350 PolarHBondContact O-N 2.85Å
347	E	88.6	Confident	91.2	Very high	97 Å²	97	46 Å²	46	45%	0.453	25%	0.251	S	S	.	.	H	α-helix	trans	-54.6	-36.6	174.7	-178.2	160.5	-127.1	0	0	112.7	M345 I349 Q350 L351	M345-E347 PolarHBondContact O-N 3.11Å; E347-I349 PolarHBondContact O-N 3.29Å; E347-Q350 WeakPolarHBondContact O-CB 3.23Å; E347-Q350 PolarHBondContact O-N 3.23Å; E347-L351 HydrophobicContact CG-CD1 3.84Å; E347-L351 HydrophobicContact CG-CG 4.19Å; E347-L351 WeakPolarHBondContact O-CB 3.42Å; E347-L351 VanDerWaalsContact O-CG 3.31Å; E347-L351 WeakPolarHBondContact O-CG 3.17Å; E347-L351 PolarHBondContact O-N 2.87Å
348	V	88.3	Confident	91.5	Very high	53 Å²	53	43.4 Å²	43.4	32%	0.321	23%	0.233	S	C	.	.	H	α-helix	trans	-58.8	-45	176.1	-175.9	0	0	0	0	112	L310 K346 A352	L310-V348 HydrophobicContact CD1-CB 4.37Å; L310-V348 HydrophobicContact CD1-CG1 3.77Å; L310-V348 HydrophobicContact CD1-CG2 3.68Å; L310-V348 HydrophobicContact CG-CG1 4.06Å; K346-V348 PolarHBondContact O-N 3.32Å; V348-A352 VanDerWaalsContact O-CB 3.32Å; V348-A352 WeakPolarHBondContact O-CB 3.39Å; V348-A352 PolarHBondContact O-N 2.91Å
349	I	91.3	Very high	91.8	Very high	3 Å²	3	42 Å²	42	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-73.3	-38.6	179.8	-66.7	-179.7	0	0	0	110.3	E313 V317 L342 D343 L344 K346 E347 A352 I353	E313-I349 HydrophobicContact CB-CD1 4.44Å; E313-I349 HydrophobicContact CB-CG1 4.29Å; V317-I349 HydrophobicContact CG2-CG2 4Å; L342-I349 HydrophobicContact CB-CD1 4.42Å; L342-I349 HydrophobicContact CB-CG2 4.22Å; L342-I349 HydrophobicContact CD1-CG2 4.07Å; D343-I349 HydrophobicContact CB-CD1 4.43Å; L344-I349 HydrophobicContact CD2-CG2 4.03Å; K346-I349 HydrophobicContact CB-CB 4.32Å; K346-I349 HydrophobicContact CB-CD1 4.35Å; K346-I349 HydrophobicContact CB-CG1 4.25Å; K346-I349 HydrophobicContact CD-CD1 4.02Å; K346-I349 PolarHBondContact O-N 3.4Å; E347-I349 PolarHBondContact O-N 3.29Å; I349-A352 PolarHBondContact O-N 3.39Å; I349-I353 HydrophobicContact CG2-CD1 4.11Å; I349-I353 VanDerWaalsContact O-CG1 3.3Å; I349-I353 WeakPolarHBondContact O-CG1 3.23Å; I349-I353 PolarHBondContact O-N 3.11Å
350	Q	93.7	Very high	91.9	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-49	174.2	-69.8	170.4	2.3	0	0	111.8	L344 M345 K346 E347 I353 L354 I384 N387 I390	L344-Q350 WeakPolarHBondContact O-CG 3.29Å; L344-Q350 PolarHBondContact O-NE2 3.43Å; M345-Q350 PolarHBondContact O-NE2 3.5Å; K346-Q350 WeakPolarHBondContact O-CG 3.37Å; K346-Q350 PolarHBondContact O-N 2.85Å; E347-Q350 WeakPolarHBondContact O-CB 3.23Å; E347-Q350 PolarHBondContact O-N 3.23Å; Q350-I353 PolarHBondContact O-N 2.96Å; Q350-L354 PolarHBondContact O-N 3.02Å; Q350-I384 HydrophobicContact CG-CB 4.17Å; Q350-I384 HydrophobicContact CG-CG2 3.98Å; Q350-N387 PolarHBondContact OE1-ND2 3.19Å; Q350-I390 HydrophobicContact CB-CD1 3.77Å; Q350-I390 HydrophobicContact CG-CD1 4.49Å
351	L	89.2	Confident	92.1	Very high	48 Å²	48	45.9 Å²	45.9	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-70	-38.5	178.9	-65.6	177.1	0	0	0	111.8	E347 I353 L354 D355 I389	E347-L351 HydrophobicContact CG-CD1 3.84Å; E347-L351 HydrophobicContact CG-CG 4.19Å; E347-L351 WeakPolarHBondContact O-CB 3.42Å; E347-L351 VanDerWaalsContact O-CG 3.31Å; E347-L351 WeakPolarHBondContact O-CG 3.17Å; E347-L351 PolarHBondContact O-N 2.87Å; L351-I353 VanDerWaalsContact C-N 3.3Å; L351-I353 PolarHBondContact O-N 3.4Å; L351-L354 HydrophobicContact CD2-CD2 4.2Å; L351-L354 CarbonylContact O-C 3.56Å; L351-L354 WeakPolarHBondContact O-CA 3.38Å; L351-L354 WeakPolarHBondContact O-CB 3.44Å; L351-L354 PolarHBondContact O-N 3.27Å; L351-D355 PolarHBondContact O-N 2.9Å; L351-I389 HydrophobicContact CD2-CD1 4.17Å
352	A	91.3	Very high	92.4	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-56.8	-42.9	171.7	0	0	0	0	0	112.3	Y314 V317 V348 I349 L354 D355 L356	Y314-A352 HydrophobicContact CD2-CB 3.5Å; Y314-A352 VanDerWaalsContact CD2-CB 3.5Å; Y314-A352 HydrophobicContact CE2-CB 3.78Å; Y314-A352 HydrophobicContact CG-CB 4.27Å; V317-A352 HydrophobicContact CB-CB 4Å; V317-A352 HydrophobicContact CG1-CB 3.87Å; V317-A352 HydrophobicContact CG2-CB 4.13Å; V348-A352 VanDerWaalsContact O-CB 3.32Å; V348-A352 WeakPolarHBondContact O-CB 3.39Å; V348-A352 PolarHBondContact O-N 2.91Å; I349-A352 PolarHBondContact O-N 3.39Å; A352-L354 VanDerWaalsContact C-N 3.26Å; A352-L354 PolarHBondContact O-N 2.97Å; A352-D355 PolarHBondContact O-N 3.15Å; A352-L356 HydrophobicContact CB-CD1 4.32Å; A352-L356 VanDerWaalsContact O-CB 3.28Å; A352-L356 WeakPolarHBondContact O-CB 3.49Å; A352-L356 VanDerWaalsContact O-CD1 3.26Å; A352-L356 WeakPolarHBondContact O-CD1 3.33Å; A352-L356 VanDerWaalsContact O-CG 3.27Å; A352-L356 WeakPolarHBondContact O-CG 3.18Å; A352-L356 PolarHBondContact O-N 3.46Å; A352-L356 VanDerWaalsContact O-N 3.09Å
353	I	94.4	Very high	92.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-32.5	176.3	-69.3	167.5	0	0	0	111.6	V317 M339 L344 I349 Q350 L351 G358 L359 L362 I384	V317-I353 HydrophobicContact CG1-CB 4.45Å; V317-I353 HydrophobicContact CG1-CG1 3.59Å; M339-I353 HydrophobicContact CE-CD1 3.97Å; M339-I353 HydrophobicContact CE-CG1 4Å; M339-I353 HydrophobicContact CE-CG2 4.38Å; L344-I353 HydrophobicContact CD2-CD1 3.41Å; L344-I353 VanDerWaalsContact CD2-CD1 3.41Å; I349-I353 HydrophobicContact CG2-CD1 4.11Å; I349-I353 VanDerWaalsContact O-CG1 3.3Å; I349-I353 WeakPolarHBondContact O-CG1 3.23Å; I349-I353 PolarHBondContact O-N 3.11Å; Q350-I353 PolarHBondContact O-N 2.96Å; L351-I353 VanDerWaalsContact C-N 3.3Å; L351-I353 PolarHBondContact O-N 3.4Å; I353-G358 CarbonylContact O-C 3.54Å; I353-G358 WeakPolarHBondContact O-CA 3.17Å; I353-G358 PolarHBondContact O-N 2.68Å; I353-L359 PolarHBondContact O-N 3.32Å; I353-L362 HydrophobicContact CG2-CD1 4Å; I353-I384 HydrophobicContact CG2-CD1 4.02Å
354	L	92.8	Very high	93	Very high	31 Å²	31	37.2 Å²	37.2	16%	0.162	19%	0.193	C	C	.	.	H	α-helix	trans	-70.5	-58.2	173.6	171.1	62.3	0	0	0	111.3	Q350 L351 A352 L356 G357 L359 I389 T393	Q350-L354 PolarHBondContact O-N 3.02Å; L351-L354 HydrophobicContact CD2-CD2 4.2Å; L351-L354 CarbonylContact O-C 3.56Å; L351-L354 WeakPolarHBondContact O-CA 3.38Å; L351-L354 WeakPolarHBondContact O-CB 3.44Å; L351-L354 PolarHBondContact O-N 3.27Å; A352-L354 VanDerWaalsContact C-N 3.26Å; A352-L354 PolarHBondContact O-N 2.97Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 3.2Å; L354-G357 PolarHBondContact O-N 2.89Å; L354-L359 HydrophobicContact CD1-CD2 3.79Å; L354-I389 HydrophobicContact CD2-CG2 3.69Å; L354-T393 HydrophobicContact CD1-CG2 3.75Å
355	D	90.8	Very high	93.2	Very high	105 Å²	105	38.2 Å²	38.2	56%	0.561	20%	0.198	S	C	*	.	H	α-helix	trans	-60.9	-37	-172.3	-61.7	-21.9	0	0	0	113	L351 A352 G357	L351-D355 PolarHBondContact O-N 2.9Å; A352-D355 PolarHBondContact O-N 3.15Å; D355-G357 PolarHBondContact O-N 3.22Å
356	L	92.4	Very high	93.6	Very high	27 Å²	27	33 Å²	33	14%	0.141	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.3	-179.5	-65.4	162.7	0	0	0	113	Y314 V317 Q318 V321 K325 A352 L354 G358	Y314-L356 HydrophobicContact CE1-CD1 4.15Å; Y314-L356 HydrophobicContact CE1-CD2 4.02Å; Y314-L356 HydrophobicContact CE1-CG 4.31Å; V317-L356 HydrophobicContact CB-CD1 4.14Å; V317-L356 HydrophobicContact CG1-CD1 3.73Å; Q318-L356 VanDerWaalsContact CA-CD1 3.49Å; Q318-L356 HydrophobicContact CB-CD1 3.79Å; Q318-L356 HydrophobicContact CB-CD2 4Å; Q318-L356 HydrophobicContact CG-CD2 3.91Å; V321-L356 HydrophobicContact CB-CB 4.37Å; V321-L356 HydrophobicContact CG1-CB 4.04Å; V321-L356 WeakPolarHBondContact CG1-O 3.23Å; V321-L356 HydrophobicContact CG2-CB 4.45Å; K325-L356 PolarHBondContact NZ-O 2.92Å; A352-L356 HydrophobicContact CB-CD1 4.32Å; A352-L356 VanDerWaalsContact O-CB 3.28Å; A352-L356 WeakPolarHBondContact O-CB 3.49Å; A352-L356 VanDerWaalsContact O-CD1 3.26Å; A352-L356 WeakPolarHBondContact O-CD1 3.33Å; A352-L356 VanDerWaalsContact O-CG 3.27Å; A352-L356 WeakPolarHBondContact O-CG 3.18Å; A352-L356 PolarHBondContact O-N 3.46Å; A352-L356 VanDerWaalsContact O-N 3.09Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 3.2Å; L356-G358 VanDerWaalsContact C-N 3.29Å
357	G	92.6	Very high	93.8	Very high	22 Å²	22	33.2 Å²	33.2	23%	0.227	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	13.1	-175.8	0	0	0	0	0	113.9	L354 D355 L359 E360 L361	L354-G357 PolarHBondContact O-N 2.89Å; D355-G357 PolarHBondContact O-N 3.22Å; G357-L359 VanDerWaalsContact C-N 3.3Å; G357-L359 PolarHBondContact O-N 2.71Å; G357-E360 PolarHBondContact O-N 3.48Å; G357-L361 PolarHBondContact O-N 2.86Å
358	G	94.6	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-36.8	178.6	0	0	0	0	0	112.7	I353 L356 E360 L361 L362	I353-G358 CarbonylContact O-C 3.54Å; I353-G358 WeakPolarHBondContact O-CA 3.17Å; I353-G358 PolarHBondContact O-N 2.68Å; L356-G358 VanDerWaalsContact C-N 3.29Å; G358-E360 VanDerWaalsContact C-N 3.3Å; G358-E360 PolarHBondContact O-N 3Å; G358-L361 PolarHBondContact O-N 3.33Å; G358-L362 WeakPolarHBondContact O-CG 3.36Å; G358-L362 PolarHBondContact O-N 3.1Å
359	L	96.9	Very high	94.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-39	175.9	-175.6	63.2	0	0	0	112.8	I353 L354 G357 L362 L363 L381 I384 I390 T393 I394 M397	I353-L359 PolarHBondContact O-N 3.32Å; L354-L359 HydrophobicContact CD1-CD2 3.79Å; G357-L359 VanDerWaalsContact C-N 3.3Å; G357-L359 PolarHBondContact O-N 2.71Å; L359-L362 PolarHBondContact O-N 3.35Å; L359-L363 WeakPolarHBondContact O-CG 3.1Å; L359-L363 PolarHBondContact O-N 2.78Å; L359-L363 VanDerWaalsContact O-N 3.09Å; L359-L381 HydrophobicContact CD1-CD2 3.59Å; L359-I384 HydrophobicContact CD1-CD1 4.11Å; L359-I390 HydrophobicContact CD1-CG2 4.11Å; L359-I390 HydrophobicContact CD2-CG2 4.16Å; L359-T393 HydrophobicContact CD2-CG2 3.68Å; L359-I394 HydrophobicContact CD1-CD1 4.28Å; L359-I394 HydrophobicContact CD1-CG1 3.91Å; L359-I394 HydrophobicContact CD2-CG1 4.25Å; L359-I394 HydrophobicContact CG-CG1 4.46Å; L359-M397 HydrophobicContact CD2-SD 4.4Å; L359-M397 HydrophobicContact CG-SD 4.34Å
360	E	95.7	Very high	94.3	Very high	96 Å²	96	35.8 Å²	35.8	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-67.9	-42	178.4	-160.1	-154.5	137.3	0	0	111.3	G357 G358 L363 N364 M397	G357-E360 PolarHBondContact O-N 3.48Å; G358-E360 VanDerWaalsContact C-N 3.3Å; G358-E360 PolarHBondContact O-N 3Å; E360-L363 PolarHBondContact O-N 3.3Å; E360-N364 WeakPolarHBondContact O-CB 3.48Å; E360-N364 VanDerWaalsContact O-CG 3.29Å; E360-N364 PolarHBondContact O-N 3.29Å; E360-N364 PolarHBondContact O-ND2 3.29Å; E360-N364 PolarHBondContact OE1-ND2 3.01Å; E360-N364 VanDerWaalsContact OE1-ND2 3.12Å; E360-M397 HydrophobicContact CB-CE 4.09Å; E360-M397 HydrophobicContact CB-SD 4.1Å; E360-M397 HydrophobicContact CG-CE 4.37Å; E360-M397 HydrophobicContact CG-SD 4.26Å
361	L	96.4	Very high	94.3	Very high	34 Å²	34	38.6 Å²	38.6	18%	0.178	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-47	175.9	-56	172.4	0	0	0	111.2	V321 L324 K325 G357 G358 L363 N364 L365	V321-L361 HydrophobicContact CG1-CD1 4.02Å; L324-L361 HydrophobicContact CB-CD1 4.07Å; L324-L361 HydrophobicContact CD2-CB 3.91Å; L324-L361 HydrophobicContact CD2-CD1 4.09Å; L324-L361 HydrophobicContact CG-CB 4.43Å; L324-L361 HydrophobicContact CG-CD1 4.25Å; K325-L361 HydrophobicContact CD-CD1 4.25Å; K325-L361 HydrophobicContact CG-CD1 3.41Å; K325-L361 VanDerWaalsContact CG-CD1 3.41Å; K325-L361 HydrophobicContact CG-CD2 3.9Å; K325-L361 HydrophobicContact CG-CG 4.25Å; G357-L361 PolarHBondContact O-N 2.86Å; G358-L361 PolarHBondContact O-N 3.33Å; L361-L363 VanDerWaalsContact C-N 3.29Å; L361-L363 PolarHBondContact O-N 3.24Å; L361-N364 PolarHBondContact O-N 2.94Å; L361-N364 VanDerWaalsContact O-N 3.1Å; L361-L365 WeakPolarHBondContact O-CG 3.41Å; L361-L365 PolarHBondContact O-N 3.16Å
362	L	97.7	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-45	176.8	-69.8	168.5	0	0	0	110.9	L324 L336 I353 G358 L359 L365 S377 I380 L381 I384	L324-L362 HydrophobicContact CD2-CD2 4.43Å; L336-L362 HydrophobicContact CD2-CD2 3.61Å; I353-L362 HydrophobicContact CG2-CD1 4Å; G358-L362 WeakPolarHBondContact O-CG 3.36Å; G358-L362 PolarHBondContact O-N 3.1Å; L359-L362 PolarHBondContact O-N 3.35Å; L362-L365 PolarHBondContact O-N 3.23Å; L362-S377 VanDerWaalsContact CA-OG 3.28Å; L362-S377 WeakPolarHBondContact CA-OG 3.18Å; L362-S377 WeakPolarHBondContact CB-OG 3.23Å; L362-S377 PolarHBondContact O-OG 3.14Å; L362-I380 HydrophobicContact CD1-CB 4.37Å; L362-I380 HydrophobicContact CD1-CG2 3.71Å; L362-I380 HydrophobicContact CD2-CB 4.29Å; L362-I380 HydrophobicContact CD2-CD1 3.88Å; L362-I380 HydrophobicContact CD2-CG2 4.4Å; L362-L381 HydrophobicContact CB-CD1 4.24Å; L362-L381 HydrophobicContact CB-CD2 3.98Å; L362-L381 HydrophobicContact CB-CG 4.08Å; L362-L381 HydrophobicContact CD1-CD2 4.39Å; L362-I384 HydrophobicContact CD1-CD1 4.33Å
363	L	97.8	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-38.3	175.1	-67.1	178.1	0	0	0	112.9	L359 E360 L361 L365 L366 L381 I394 M397 R402 M403	L359-L363 WeakPolarHBondContact O-CG 3.1Å; L359-L363 PolarHBondContact O-N 2.78Å; L359-L363 VanDerWaalsContact O-N 3.09Å; E360-L363 PolarHBondContact O-N 3.3Å; L361-L363 VanDerWaalsContact C-N 3.29Å; L361-L363 PolarHBondContact O-N 3.24Å; L363-L365 VanDerWaalsContact C-N 3.33Å; L363-L365 PolarHBondContact O-N 2.65Å; L363-L366 HydrophobicContact CD2-CD1 4.03Å; L363-L366 WeakPolarHBondContact O-CB 3.36Å; L363-L366 WeakPolarHBondContact O-CG 3.48Å; L363-L366 PolarHBondContact O-N 3.12Å; L363-L381 HydrophobicContact CD2-CD1 3.98Å; L363-L381 HydrophobicContact CD2-CD2 4.11Å; L363-L381 HydrophobicContact CG-CD2 4.48Å; L363-I394 HydrophobicContact CD1-CG1 4.42Å; L363-I394 HydrophobicContact CD2-CG2 4.41Å; L363-M397 HydrophobicContact CD1-CB 3.58Å; L363-M397 HydrophobicContact CD1-CG 4.46Å; L363-M397 HydrophobicContact CD1-SD 4.08Å; L363-R402 WeakPolarHBondContact O-CD 3.06Å; L363-M403 HydrophobicContact CD2-CE 3.84Å
364	N	96.1	Very high	94.8	Very high	60 Å²	60	43.8 Å²	43.8	32%	0.321	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-33.7	175.9	-73.2	-30.6	0	0	0	112.3	E360 L361 L366 D367 R402	E360-N364 WeakPolarHBondContact O-CB 3.48Å; E360-N364 VanDerWaalsContact O-CG 3.29Å; E360-N364 PolarHBondContact O-N 3.29Å; E360-N364 PolarHBondContact O-ND2 3.29Å; E360-N364 PolarHBondContact OE1-ND2 3.01Å; E360-N364 VanDerWaalsContact OE1-ND2 3.12Å; L361-N364 PolarHBondContact O-N 2.94Å; L361-N364 VanDerWaalsContact O-N 3.1Å; N364-L366 PolarHBondContact O-N 2.92Å; N364-D367 PolarHBondContact O-N 3.37Å; N364-R402 VanDerWaalsContact OD1-CZ 3.23Å; N364-R402 PolarHBondContact OD1-NH1 3.45Å; N364-R402 PolarHBondContact OD1-NH2 3.28Å
365	L	96.3	Very high	95	Very high	23 Å²	23	43.1 Å²	43.1	12%	0.12	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-26.3	174.5	-71.1	173.8	0	0	0	113	L324 T332 L336 L361 L362 L363 D367 T368 K374	L324-L365 HydrophobicContact CD1-CD1 4.16Å; L324-L365 HydrophobicContact CD2-CD1 4.38Å; T332-L365 HydrophobicContact CG2-CD1 3.98Å; T332-L365 HydrophobicContact CG2-CD2 3.78Å; L336-L365 HydrophobicContact CD1-CD1 4.14Å; L336-L365 HydrophobicContact CD2-CD1 4.05Å; L336-L365 HydrophobicContact CG-CD1 4.5Å; L361-L365 WeakPolarHBondContact O-CG 3.41Å; L361-L365 PolarHBondContact O-N 3.16Å; L362-L365 PolarHBondContact O-N 3.23Å; L363-L365 VanDerWaalsContact C-N 3.33Å; L363-L365 PolarHBondContact O-N 2.65Å; L365-D367 PolarHBondContact O-N 3.19Å; L365-T368 HydrophobicContact CD2-CG2 4.18Å; L365-T368 WeakPolarHBondContact O-CB 3.27Å; L365-T368 WeakPolarHBondContact O-CG2 3.23Å; L365-T368 PolarHBondContact O-N 3.23Å; L365-T368 PolarHBondContact O-OG1 2.91Å; L365-K374 WeakPolarHBondContact O-CG 3.49Å
366	L	97.1	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.4	178.1	-54.5	-173.1	0	0	0	113.3	L363 N364 K374 L378 L381 R402 M403 N406	L363-L366 HydrophobicContact CD2-CD1 4.03Å; L363-L366 WeakPolarHBondContact O-CB 3.36Å; L363-L366 WeakPolarHBondContact O-CG 3.48Å; L363-L366 PolarHBondContact O-N 3.12Å; N364-L366 PolarHBondContact O-N 2.92Å; L366-K374 WeakPolarHBondContact O-CE 3.41Å; L366-K374 PolarHBondContact O-NZ 3.38Å; L366-L378 HydrophobicContact CD1-CD2 3.99Å; L366-L378 HydrophobicContact CD2-CD1 4.38Å; L366-L378 HydrophobicContact CD2-CD2 3.66Å; L366-L378 HydrophobicContact CD2-CG 3.62Å; L366-L381 HydrophobicContact CD1-CD1 4.01Å; L366-L381 HydrophobicContact CD2-CD1 4.2Å; L366-L381 HydrophobicContact CG-CD1 4.35Å; L366-R402 HydrophobicContact CB-CB 4Å; L366-R402 HydrophobicContact CD1-CB 4.08Å; L366-M403 HydrophobicContact CD1-CE 4.44Å; L366-M403 HydrophobicContact CD1-CG 4.02Å; L366-N406 PolarHBondContact O-ND2 3.37Å; L366-N406 PolarHBondContact O-OD1 3.15Å
367	D	95.4	Very high	95.5	Very high	82 Å²	82	37.3 Å²	37.3	44%	0.439	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.9	-179.4	-63.4	-25.6	0	0	0	113.1	N364 L365 R402	N364-D367 PolarHBondContact O-N 3.37Å; L365-D367 PolarHBondContact O-N 3.19Å; D367-R402 WeakPolarHBondContact OD1-CG 3.5Å; D367-R402 WeakPolarHBondContact OD2-CD 3.32Å; D367-R402 WeakPolarHBondContact OD2-CG 3.45Å; D367-R402 IonicContact OD2-CZ 3.99Å; D367-R402 IonicContact OD2-NE 3.96Å; D367-R402 IonicContact OD2-NH1 2.7Å; D367-R402 PolarHBondContact OD2-NH1 2.96Å
368	T	93.9	Very high	95.8	Very high	50 Å²	50	36.3 Å²	36.3	31%	0.307	19%	0.188	S	C	.	.	S	Bend	trans	-71.2	-179.4	174.8	65.5	0	0	0	0	112.4	L365 K374	L365-T368 HydrophobicContact CD2-CG2 4.18Å; L365-T368 WeakPolarHBondContact O-CB 3.27Å; L365-T368 WeakPolarHBondContact O-CG2 3.23Å; L365-T368 PolarHBondContact O-N 3.23Å; L365-T368 PolarHBondContact O-OG1 2.91Å; T368-K374 WeakPolarHBondContact O-CE 3.32Å; T368-K374 PolarHBondContact O-NZ 3.02Å
369	T	91.6	Very high	95.9	Very high	142 Å²	142	39.6 Å²	39.6	87%	0.871	20%	0.203	S	C	*	.	S	Bend	trans	-94	-17.8	170.2	50.4	0	0	0	0	113.8	I371	T369-I371 PolarHBondContact O-N 3.33Å
370	D	92.9	Very high	95.9	Very high	16 Å²	16	39.6 Å²	39.6	9%	0.086	20%	0.203	C	C	.	.			trans	-82.6	104.6	-176	179.1	61.1	0	0	0	112.2	Q329 R372 S373 K374	Q329-D370 HydrophobicContact CG-CB 3.91Å; Q329-D370 PolarHBondContact NE2-OD1 3.35Å; D370-R372 PolarHBondContact O-N 3.4Å; D370-R372 VanDerWaalsContact O-N 3.14Å; D370-R372 IonicContact OD1-CZ 2.95Å; D370-R372 IonicContact OD1-NE 3.67Å; D370-R372 PolarHBondContact OD1-NE 2.81Å; D370-R372 IonicContact OD1-NH2 3.93Å; D370-R372 PolarHBondContact OD1-NH2 3.27Å; D370-S373 PolarHBondContact O-N 2.96Å; D370-S373 VanDerWaalsContact OD2-CB 3.23Å; D370-S373 WeakPolarHBondContact OD2-CB 3.05Å; D370-S373 PolarHBondContact OD2-N 3.35Å; D370-S373 PolarHBondContact OD2-OG 2.9Å; D370-K374 WeakPolarHBondContact O-CG 3.39Å; D370-K374 PolarHBondContact O-N 3.36Å; D370-K374 VanDerWaalsContact O-N 3.16Å
371	I	94.3	Very high	96.1	Very high	72 Å²	72	35 Å²	35	37%	0.369	18%	0.181	S	C	.	.	H	α-helix	trans	-53.2	-35.5	179	-65	161.5	0	0	0	112	T369 K374 I375 V411	T369-I371 PolarHBondContact O-N 3.33Å; I371-K374 WeakPolarHBondContact O-CB 3.33Å; I371-K374 PolarHBondContact O-N 3.1Å; I371-I375 HydrophobicContact CG2-CD1 3.66Å; I371-I375 HydrophobicContact CG2-CG1 4.38Å; I371-I375 VanDerWaalsContact O-CG1 3.3Å; I371-I375 WeakPolarHBondContact O-CG1 3.25Å; I371-I375 PolarHBondContact O-N 3.11Å; I371-V411 HydrophobicContact CD1-CG2 4.17Å; I371-V411 HydrophobicContact CG2-CG1 4.02Å; I371-V411 HydrophobicContact CG2-CG2 4.23Å
372	R	93.6	Very high	96.1	Very high	140 Å²	140	33.6 Å²	33.6	53%	0.528	18%	0.175	S	C	.	.	H	α-helix	trans	-68.5	-45.1	-179.2	-62.6	171.9	-65	179.2	1.7	112.3	V333 D370 K374 I375 G376	V333-R372 HydrophobicContact CG2-CB 3.81Å; D370-R372 PolarHBondContact O-N 3.4Å; D370-R372 VanDerWaalsContact O-N 3.14Å; D370-R372 IonicContact OD1-CZ 2.95Å; D370-R372 IonicContact OD1-NE 3.67Å; D370-R372 PolarHBondContact OD1-NE 2.81Å; D370-R372 IonicContact OD1-NH2 3.93Å; D370-R372 PolarHBondContact OD1-NH2 3.27Å; R372-K374 VanDerWaalsContact C-N 3.28Å; R372-K374 PolarHBondContact O-N 3.38Å; R372-I375 PolarHBondContact O-N 3.24Å; R372-G376 PolarHBondContact O-N 3Å
373	S	94.3	Very high	96	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-36.1	174.6	-62.5	0	0	0	0	111.8	T332 L336 D370 S377	T332-S373 WeakPolarHBondContact CG2-OG 3.25Å; L336-S373 WeakPolarHBondContact CD1-O 3.2Å; D370-S373 PolarHBondContact O-N 2.96Å; D370-S373 VanDerWaalsContact OD2-CB 3.23Å; D370-S373 WeakPolarHBondContact OD2-CB 3.05Å; D370-S373 PolarHBondContact OD2-N 3.35Å; D370-S373 PolarHBondContact OD2-OG 2.9Å; S373-S377 WeakPolarHBondContact O-CB 3.43Å; S373-S377 PolarHBondContact O-N 3.31Å
374	K	97.3	Very high	95.9	Very high	15 Å²	15	37.6 Å²	37.6	7%	0.065	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-47.8	172.7	-60.4	-179.2	-178.1	-132	0	112.5	L365 L366 T368 D370 I371 R372 S377 L378 N406 L414	L365-K374 WeakPolarHBondContact O-CG 3.49Å; L366-K374 WeakPolarHBondContact O-CE 3.41Å; L366-K374 PolarHBondContact O-NZ 3.38Å; T368-K374 WeakPolarHBondContact O-CE 3.32Å; T368-K374 PolarHBondContact O-NZ 3.02Å; D370-K374 WeakPolarHBondContact O-CG 3.39Å; D370-K374 PolarHBondContact O-N 3.36Å; D370-K374 VanDerWaalsContact O-N 3.16Å; I371-K374 WeakPolarHBondContact O-CB 3.33Å; I371-K374 PolarHBondContact O-N 3.1Å; R372-K374 VanDerWaalsContact C-N 3.28Å; R372-K374 PolarHBondContact O-N 3.38Å; K374-S377 PolarHBondContact O-N 2.87Å; K374-L378 WeakPolarHBondContact O-CB 3.42Å; K374-L378 WeakPolarHBondContact O-CG 3.39Å; K374-L378 PolarHBondContact O-N 2.83Å; K374-N406 WeakPolarHBondContact CD-OD1 3.11Å; K374-N406 PolarHBondContact NZ-OD1 3.08Å; K374-L414 HydrophobicContact CB-CD1 3.5Å; K374-L414 HydrophobicContact CD-CD1 4.39Å; K374-L414 HydrophobicContact CD-CD2 4.31Å
375	I	96.4	Very high	95.9	Very high	18 Å²	18	34.7 Å²	34.7	9%	0.092	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-48.9	178.6	-72.6	167.3	0	0	0	110.5	I371 R372 S377 L378 K379 V411 E413 L414 L417	I371-I375 HydrophobicContact CG2-CD1 3.66Å; I371-I375 HydrophobicContact CG2-CG1 4.38Å; I371-I375 VanDerWaalsContact O-CG1 3.3Å; I371-I375 WeakPolarHBondContact O-CG1 3.25Å; I371-I375 PolarHBondContact O-N 3.11Å; R372-I375 PolarHBondContact O-N 3.24Å; I375-S377 VanDerWaalsContact C-N 3.34Å; I375-S377 PolarHBondContact O-N 3.31Å; I375-L378 PolarHBondContact O-N 2.92Å; I375-K379 HydrophobicContact CG2-CD 4.25Å; I375-K379 WeakPolarHBondContact O-CG 3.47Å; I375-K379 PolarHBondContact O-N 3.3Å; I375-V411 HydrophobicContact CD1-CG1 4.26Å; I375-E413 HydrophobicContact CD1-CB 4.48Å; I375-E413 HydrophobicContact CD1-CG 4.41Å; I375-E413 HydrophobicContact CG2-CG 4.19Å; I375-E413 WeakPolarHBondContact CG2-OE1 3.48Å; I375-L414 HydrophobicContact CG1-CB 4.19Å; I375-L414 HydrophobicContact CG1-CD1 3.76Å; I375-L417 HydrophobicContact CG2-CD1 3.89Å
376	G	96.2	Very high	95.7	Very high	10 Å²	10	38 Å²	38	10%	0.103	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-40.7	176.7	0	0	0	0	0	112.7	R372 K379 I380	R372-G376 PolarHBondContact O-N 3Å; G376-K379 PolarHBondContact O-N 3.28Å; G376-I380 WeakPolarHBondContact O-CG1 3.3Å; G376-I380 PolarHBondContact O-N 2.98Å
377	S	98.1	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-47.4	174.1	-179.6	0	0	0	0	112.2	L362 S373 K374 I375 K379 I380 L381	L362-S377 VanDerWaalsContact CA-OG 3.28Å; L362-S377 WeakPolarHBondContact CA-OG 3.18Å; L362-S377 WeakPolarHBondContact CB-OG 3.23Å; L362-S377 PolarHBondContact O-OG 3.14Å; S373-S377 WeakPolarHBondContact O-CB 3.43Å; S373-S377 PolarHBondContact O-N 3.31Å; K374-S377 PolarHBondContact O-N 2.87Å; I375-S377 VanDerWaalsContact C-N 3.34Å; I375-S377 PolarHBondContact O-N 3.31Å; S377-K379 VanDerWaalsContact C-N 3.34Å; S377-K379 PolarHBondContact O-N 2.93Å; S377-I380 PolarHBondContact O-N 3.19Å; S377-I380 VanDerWaalsContact O-N 3.17Å; S377-L381 WeakPolarHBondContact O-CB 3.45Å; S377-L381 VanDerWaalsContact O-CG 3.31Å; S377-L381 WeakPolarHBondContact O-CG 3.17Å; S377-L381 PolarHBondContact O-N 3.35Å
378	L	98.3	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-34.3	178.2	-70.4	172.9	0	0	0	112.7	L366 K374 I375 I380 L381 A382 M403 L414 L417 A418	L366-L378 HydrophobicContact CD1-CD2 3.99Å; L366-L378 HydrophobicContact CD2-CD1 4.38Å; L366-L378 HydrophobicContact CD2-CD2 3.66Å; L366-L378 HydrophobicContact CD2-CG 3.62Å; K374-L378 WeakPolarHBondContact O-CB 3.42Å; K374-L378 WeakPolarHBondContact O-CG 3.39Å; K374-L378 PolarHBondContact O-N 2.83Å; I375-L378 PolarHBondContact O-N 2.92Å; L378-I380 VanDerWaalsContact C-N 3.28Å; L378-I380 PolarHBondContact O-N 3.47Å; L378-L381 HydrophobicContact CD2-CD1 4.17Å; L378-L381 PolarHBondContact O-N 3.49Å; L378-A382 WeakPolarHBondContact O-CB 3.42Å; L378-A382 PolarHBondContact O-N 2.91Å; L378-M403 HydrophobicContact CD2-CG 4.28Å; L378-L414 HydrophobicContact CD1-CD1 3.64Å; L378-L414 HydrophobicContact CD1-CG 4.31Å; L378-L417 HydrophobicContact CB-CB 3.77Å; L378-L417 HydrophobicContact CB-CD1 4.41Å; L378-L417 HydrophobicContact CD1-CB 4.19Å; L378-A418 HydrophobicContact CD1-CB 3.95Å
379	K	97.6	Very high	95.3	Very high	70 Å²	70	40.4 Å²	40.4	30%	0.304	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-33.9	173.5	-75.1	178.4	-178.9	179.1	0	113	M340 I375 G376 S377 E413 L417	M340-K379 HydrophobicContact CE-CD 4.49Å; M340-K379 HydrophobicContact SD-CB 3.5Å; M340-K379 VanDerWaalsContact SD-CB 3.5Å; M340-K379 HydrophobicContact SD-CD 3.78Å; M340-K379 HydrophobicContact SD-CG 4.25Å; I375-K379 HydrophobicContact CG2-CD 4.25Å; I375-K379 WeakPolarHBondContact O-CG 3.47Å; I375-K379 PolarHBondContact O-N 3.3Å; G376-K379 PolarHBondContact O-N 3.28Å; S377-K379 VanDerWaalsContact C-N 3.34Å; S377-K379 PolarHBondContact O-N 2.93Å; K379-E413 WeakPolarHBondContact CE-OE1 3.19Å; K379-E413 IonicContact NZ-OE1 3.4Å; K379-E413 PolarHBondContact NZ-OE1 3.3Å; K379-L417 HydrophobicContact CD-CD1 4.45Å; K379-L417 HydrophobicContact CG-CD1 3.72Å; K379-L417 HydrophobicContact CG-CD2 3.78Å; K379-L417 HydrophobicContact CG-CG 4.43Å
380	I	97.9	Very high	95.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-75.1	-49.8	173.3	-61.9	165.3	0	0	0	109.8	L336 M339 M340 L344 L362 G376 S377 L378 A382 K383 I384	L336-I380 HydrophobicContact CB-CD1 4.36Å; L336-I380 HydrophobicContact CD2-CD1 3.61Å; M339-I380 HydrophobicContact CB-CD1 3.64Å; M339-I380 HydrophobicContact CB-CG1 4.48Å; M339-I380 HydrophobicContact CE-CD1 4.47Å; M339-I380 HydrophobicContact SD-CD1 4.4Å; M340-I380 HydrophobicContact CG-CD1 4.41Å; M340-I380 HydrophobicContact CG-CG1 3.76Å; L344-I380 HydrophobicContact CD1-CB 4.41Å; L344-I380 HydrophobicContact CD1-CG1 4.23Å; L344-I380 HydrophobicContact CD1-CG2 4.08Å; L344-I380 HydrophobicContact CD2-CG2 4.34Å; L362-I380 HydrophobicContact CD1-CB 4.37Å; L362-I380 HydrophobicContact CD1-CG2 3.71Å; L362-I380 HydrophobicContact CD2-CB 4.29Å; L362-I380 HydrophobicContact CD2-CD1 3.88Å; L362-I380 HydrophobicContact CD2-CG2 4.4Å; G376-I380 WeakPolarHBondContact O-CG1 3.3Å; G376-I380 PolarHBondContact O-N 2.98Å; S377-I380 PolarHBondContact O-N 3.19Å; S377-I380 VanDerWaalsContact O-N 3.17Å; L378-I380 VanDerWaalsContact C-N 3.28Å; L378-I380 PolarHBondContact O-N 3.47Å; I380-A382 VanDerWaalsContact C-N 3.34Å; I380-A382 PolarHBondContact O-N 3.25Å; I380-K383 PolarHBondContact O-N 3.35Å; I380-I384 HydrophobicContact CG2-CD1 4.28Å; I380-I384 HydrophobicContact CG2-CG2 4.47Å; I380-I384 WeakPolarHBondContact O-CG1 3.43Å; I380-I384 PolarHBondContact O-N 3.46Å
381	L	98.1	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.1	-42.2	-179.7	-70.3	165.5	0	0	0	112.3	L359 L362 L363 L366 S377 L378 K383 I384 S385 I394 M403 T421	L359-L381 HydrophobicContact CD1-CD2 3.59Å; L362-L381 HydrophobicContact CB-CD1 4.24Å; L362-L381 HydrophobicContact CB-CD2 3.98Å; L362-L381 HydrophobicContact CB-CG 4.08Å; L362-L381 HydrophobicContact CD1-CD2 4.39Å; L363-L381 HydrophobicContact CD2-CD1 3.98Å; L363-L381 HydrophobicContact CD2-CD2 4.11Å; L363-L381 HydrophobicContact CG-CD2 4.48Å; L366-L381 HydrophobicContact CD1-CD1 4.01Å; L366-L381 HydrophobicContact CD2-CD1 4.2Å; L366-L381 HydrophobicContact CG-CD1 4.35Å; S377-L381 WeakPolarHBondContact O-CB 3.45Å; S377-L381 VanDerWaalsContact O-CG 3.31Å; S377-L381 WeakPolarHBondContact O-CG 3.17Å; S377-L381 PolarHBondContact O-N 3.35Å; L378-L381 HydrophobicContact CD2-CD1 4.17Å; L378-L381 PolarHBondContact O-N 3.49Å; L381-K383 PolarHBondContact O-N 3.01Å; L381-I384 PolarHBondContact O-N 3.46Å; L381-S385 WeakPolarHBondContact O-CA 3.41Å; L381-S385 WeakPolarHBondContact O-CB 3.32Å; L381-S385 PolarHBondContact O-N 2.91Å; L381-S385 PolarHBondContact O-OG 3.32Å; L381-I394 HydrophobicContact CD2-CD1 4.35Å; L381-M403 HydrophobicContact CD1-CE 4.36Å; L381-T421 HydrophobicContact CB-CG2 4Å
382	A	96.8	Very high	95.6	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-56.9	-47.9	177.2	0	0	0	0	0	111.6	L378 I380 S385 E420 H424	L378-A382 WeakPolarHBondContact O-CB 3.42Å; L378-A382 PolarHBondContact O-N 2.91Å; I380-A382 VanDerWaalsContact C-N 3.34Å; I380-A382 PolarHBondContact O-N 3.25Å; A382-S385 PolarHBondContact O-OG 2.84Å; A382-E420 HydrophobicContact CB-CG 4.48Å; A382-E420 WeakPolarHBondContact CB-OE2 3.4Å; A382-H424 PolarHBondContact O-CE1 3.24Å; A382-H424 PolarHBondContact O-ND1 2.84Å
383	K	95.9	Very high	95.7	Very high	83 Å²	83	29.4 Å²	29.4	36%	0.361	15%	0.148	S	C	.	.	H	α-helix	trans	-62.3	-54.5	176.2	-68.7	174.8	174.8	-175.8	0	112.2	L344 I380 L381 S385	L344-K383 HydrophobicContact CB-CB 4.15Å; L344-K383 HydrophobicContact CB-CD 4.03Å; L344-K383 HydrophobicContact CD1-CB 4.44Å; L344-K383 HydrophobicContact CD1-CD 3.62Å; L344-K383 HydrophobicContact CG-CD 4.45Å; I380-K383 PolarHBondContact O-N 3.35Å; L381-K383 PolarHBondContact O-N 3.01Å; K383-S385 PolarHBondContact O-N 3.32Å
384	I	96.2	Very high	95.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-76.4	-20.8	-172.3	70.1	177.5	0	0	0	113.7	L344 Q350 I353 L359 L362 I380 L381 Q386 N387 I390	L344-I384 HydrophobicContact CB-CG2 4.14Å; L344-I384 HydrophobicContact CD2-CG2 4Å; Q350-I384 HydrophobicContact CG-CB 4.17Å; Q350-I384 HydrophobicContact CG-CG2 3.98Å; I353-I384 HydrophobicContact CG2-CD1 4.02Å; L359-I384 HydrophobicContact CD1-CD1 4.11Å; L362-I384 HydrophobicContact CD1-CD1 4.33Å; I380-I384 HydrophobicContact CG2-CD1 4.28Å; I380-I384 HydrophobicContact CG2-CG2 4.47Å; I380-I384 WeakPolarHBondContact O-CG1 3.43Å; I380-I384 PolarHBondContact O-N 3.46Å; L381-I384 PolarHBondContact O-N 3.46Å; I384-Q386 PolarHBondContact O-N 3.32Å; I384-N387 WeakPolarHBondContact O-CB 3.19Å; I384-N387 PolarHBondContact O-N 3.19Å; I384-I390 HydrophobicContact CB-CD1 4Å; I384-I390 HydrophobicContact CD1-CD1 4.32Å; I384-I390 HydrophobicContact CD1-CG2 4.44Å; I384-I390 HydrophobicContact CG1-CD1 4.31Å; I384-I390 HydrophobicContact CG1-CG2 4.16Å
385	S	96.1	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	2.7	-178.7	61.2	0	0	0	0	115	L381 A382 K383 N387 R391 H424	L381-S385 WeakPolarHBondContact O-CA 3.41Å; L381-S385 WeakPolarHBondContact O-CB 3.32Å; L381-S385 PolarHBondContact O-N 2.91Å; L381-S385 PolarHBondContact O-OG 3.32Å; A382-S385 PolarHBondContact O-OG 2.84Å; K383-S385 PolarHBondContact O-N 3.32Å; S385-N387 VanDerWaalsContact C-N 3.33Å; S385-R391 WeakPolarHBondContact O-CD 3.38Å; S385-R391 WeakPolarHBondContact O-CG 3.39Å; S385-H424 VanDerWaalsContact OG-CB 3.31Å; S385-H424 WeakPolarHBondContact OG-CB 3.46Å
386	Q	91.6	Very high	95.7	Very high	93 Å²	93	31.9 Å²	31.9	44%	0.435	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-31.2	166.1	-62.9	-172.5	-5.3	0	0	111.4	I384 R391	I384-Q386 PolarHBondContact O-N 3.32Å; Q386-R391 PolarHBondContact O-NH1 3.38Å
387	N	93.4	Very high	95.7	Very high	16 Å²	16	34.1 Å²	34.1	9%	0.086	17%	0.17	C	C	.	.	S	Bend	trans	-66.5	129.3	-179.2	-175.3	-59.3	0	0	0	112.8	Q350 I384 S385 I389 I390 R391	Q350-N387 PolarHBondContact OE1-ND2 3.19Å; I384-N387 WeakPolarHBondContact O-CB 3.19Å; I384-N387 PolarHBondContact O-N 3.19Å; S385-N387 VanDerWaalsContact C-N 3.33Å; N387-I389 VanDerWaalsContact C-N 3.35Å; N387-I389 PolarHBondContact O-N 3.17Å; N387-I389 PolarHBondContact OD1-N 3.15Å; N387-I390 HydrophobicContact CB-CB 4.23Å; N387-I390 HydrophobicContact CB-CD1 4.23Å; N387-I390 HydrophobicContact CB-CG1 4.28Å; N387-I390 PolarHBondContact O-N 3.08Å; N387-R391 WeakPolarHBondContact O-CG 3.25Å; N387-R391 PolarHBondContact O-N 3.15Å
388	V	91.7	Very high	95.6	Very high	78 Å²	78	42.9 Å²	42.9	47%	0.473	20%	0.203	S	C	.	.	H	α-helix	trans	-56.8	-42.8	-173.7	-167.3	0	0	0	0	113	R391 Q392	V388-R391 PolarHBondContact O-N 3.11Å; V388-Q392 PolarHBondContact O-N 2.96Å
389	I	92.8	Very high	95.5	Very high	87 Å²	87	42.9 Å²	42.9	45%	0.446	20%	0.203	S	C	.	.	H	α-helix	trans	-66.4	-45.2	-178.8	-59.6	173.2	0	0	0	109.4	L351 L354 N387 R391 Q392 T393	L351-I389 HydrophobicContact CD2-CD1 4.17Å; L354-I389 HydrophobicContact CD2-CG2 3.69Å; N387-I389 VanDerWaalsContact C-N 3.35Å; N387-I389 PolarHBondContact O-N 3.17Å; N387-I389 PolarHBondContact OD1-N 3.15Å; I389-R391 PolarHBondContact O-N 3.31Å; I389-Q392 PolarHBondContact O-N 3.5Å; I389-T393 PolarHBondContact O-N 3.21Å; I389-T393 PolarHBondContact O-OG1 2.99Å
390	I	95.8	Very high	95.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-39.3	178.6	-64.7	-178.9	0	0	0	111.3	Q350 L359 I384 N387 Q392 T393 I394	Q350-I390 HydrophobicContact CB-CD1 3.77Å; Q350-I390 HydrophobicContact CG-CD1 4.49Å; L359-I390 HydrophobicContact CD1-CG2 4.11Å; L359-I390 HydrophobicContact CD2-CG2 4.16Å; I384-I390 HydrophobicContact CB-CD1 4Å; I384-I390 HydrophobicContact CD1-CD1 4.32Å; I384-I390 HydrophobicContact CD1-CG2 4.44Å; I384-I390 HydrophobicContact CG1-CD1 4.31Å; I384-I390 HydrophobicContact CG1-CG2 4.16Å; N387-I390 HydrophobicContact CB-CB 4.23Å; N387-I390 HydrophobicContact CB-CD1 4.23Å; N387-I390 HydrophobicContact CB-CG1 4.28Å; N387-I390 PolarHBondContact O-N 3.08Å; I390-Q392 VanDerWaalsContact C-N 3.3Å; I390-Q392 PolarHBondContact O-N 3.38Å; I390-T393 PolarHBondContact O-N 3.07Å; I390-I394 HydrophobicContact CG2-CD1 3.72Å; I390-I394 HydrophobicContact CG2-CG1 4.16Å; I390-I394 WeakPolarHBondContact O-CB 3.43Å; I390-I394 VanDerWaalsContact O-CG1 3.28Å; I390-I394 WeakPolarHBondContact O-CG1 3.48Å; I390-I394 PolarHBondContact O-N 2.8Å
391	R	95.3	Very high	95.5	Very high	28 Å²	28	41.1 Å²	41.1	11%	0.106	20%	0.196	C	C	.	.	H	α-helix	trans	-53.7	-47.6	172.1	-68.1	-171.2	-55.9	-137.4	22.9	111.2	E297 S385 Q386 N387 V388 I389 V395 H424 F428	E297-R391 IonicContact OE1-NH2 3.6Å; E297-R391 PolarHBondContact OE1-NH2 2.82Å; E297-R391 IonicContact OE2-CZ 2.89Å; E297-R391 IonicContact OE2-NH2 2.91Å; E297-R391 PolarHBondContact OE2-NH2 2.88Å; S385-R391 WeakPolarHBondContact O-CD 3.38Å; S385-R391 WeakPolarHBondContact O-CG 3.39Å; Q386-R391 PolarHBondContact O-NH1 3.38Å; N387-R391 WeakPolarHBondContact O-CG 3.25Å; N387-R391 PolarHBondContact O-N 3.15Å; V388-R391 PolarHBondContact O-N 3.11Å; I389-R391 PolarHBondContact O-N 3.31Å; R391-V395 WeakPolarHBondContact O-CG2 3.43Å; R391-V395 PolarHBondContact O-N 3.39Å; R391-H424 WeakPolarHBondContact CD-O 3.5Å; R391-F428 HydrophobicContact CB-CE1 4.4Å
392	Q	93.7	Very high	95.5	Very high	83 Å²	83	43.1 Å²	43.1	39%	0.388	20%	0.203	S	C	.	.	H	α-helix	trans	-67.4	-42.5	-179.1	-170.2	72.2	-29.7	0	0	111.7	V388 I389 I390 V395 N396	V388-Q392 PolarHBondContact O-N 2.96Å; I389-Q392 PolarHBondContact O-N 3.5Å; I390-Q392 VanDerWaalsContact C-N 3.3Å; I390-Q392 PolarHBondContact O-N 3.38Å; Q392-V395 PolarHBondContact O-N 3.3Å; Q392-N396 PolarHBondContact O-N 3.5Å; Q392-N396 PolarHBondContact O-ND2 2.92Å
393	T	95.9	Very high	95.6	Very high	28 Å²	28	42.9 Å²	42.9	17%	0.172	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-40.9	178.9	-57.7	0	0	0	0	112.6	L354 L359 I389 I390 V395 N396 M397	L354-T393 HydrophobicContact CD1-CG2 3.75Å; L359-T393 HydrophobicContact CD2-CG2 3.68Å; I389-T393 PolarHBondContact O-N 3.21Å; I389-T393 PolarHBondContact O-OG1 2.99Å; I390-T393 PolarHBondContact O-N 3.07Å; T393-V395 PolarHBondContact O-N 3.26Å; T393-N396 PolarHBondContact O-N 2.9Å; T393-N396 VanDerWaalsContact O-N 3.09Å; T393-M397 HydrophobicContact CG2-CE 3.71Å; T393-M397 HydrophobicContact CG2-CG 4.13Å; T393-M397 HydrophobicContact CG2-SD 3.78Å; T393-M397 WeakPolarHBondContact O-CB 3.36Å; T393-M397 WeakPolarHBondContact O-CG 3.48Å; T393-M397 PolarHBondContact O-N 2.7Å
394	I	97.6	Very high	95.7	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.2	-40.5	172.9	-71.5	169.6	0	0	0	110.8	L359 L363 L381 I390 R398 G399 M403 V425	L359-I394 HydrophobicContact CD1-CD1 4.28Å; L359-I394 HydrophobicContact CD1-CG1 3.91Å; L359-I394 HydrophobicContact CD2-CG1 4.25Å; L359-I394 HydrophobicContact CG-CG1 4.46Å; L363-I394 HydrophobicContact CD1-CG1 4.42Å; L363-I394 HydrophobicContact CD2-CG2 4.41Å; L381-I394 HydrophobicContact CD2-CD1 4.35Å; I390-I394 HydrophobicContact CG2-CD1 3.72Å; I390-I394 HydrophobicContact CG2-CG1 4.16Å; I390-I394 WeakPolarHBondContact O-CB 3.43Å; I390-I394 VanDerWaalsContact O-CG1 3.28Å; I390-I394 WeakPolarHBondContact O-CG1 3.48Å; I390-I394 PolarHBondContact O-N 2.8Å; I394-R398 PolarHBondContact O-N 3.44Å; I394-G399 WeakPolarHBondContact O-CA 3.48Å; I394-G399 PolarHBondContact O-N 3.09Å; I394-M403 HydrophobicContact CG2-CE 3.77Å; I394-V425 HydrophobicContact CB-CG1 4.49Å; I394-V425 HydrophobicContact CB-CG2 4.45Å; I394-V425 HydrophobicContact CD1-CG2 3.87Å; I394-V425 HydrophobicContact CG2-CG1 4.12Å; I394-V425 HydrophobicContact CG2-CG2 4.1Å
395	V	96.4	Very high	95.7	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-72.6	-32.1	179	172.1	0	0	0	0	112.9	R391 Q392 T393 L400 V425 F428 R430 A431 I434	R391-V395 WeakPolarHBondContact O-CG2 3.43Å; R391-V395 PolarHBondContact O-N 3.39Å; Q392-V395 PolarHBondContact O-N 3.3Å; T393-V395 PolarHBondContact O-N 3.26Å; V395-L400 HydrophobicContact CG2-CD1 3.62Å; V395-L400 HydrophobicContact CG2-CG 4.08Å; V395-V425 HydrophobicContact CG2-CG1 3.51Å; V395-F428 HydrophobicContact CB-CZ 3.84Å; V395-F428 HydrophobicContact CG1-CE2 4.18Å; V395-F428 HydrophobicContact CG1-CZ 3.95Å; V395-F428 HydrophobicContact CG2-CE1 4.12Å; V395-F428 HydrophobicContact CG2-CZ 3.58Å; V395-R430 HydrophobicContact CG1-CG 4.08Å; V395-A431 HydrophobicContact CG2-CB 3.97Å; V395-I434 HydrophobicContact CG1-CD1 3.69Å
396	N	94.6	Very high	95.8	Very high	84 Å²	84	43 Å²	43	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-70.5	-43	172.2	-72.5	-29.5	0	0	0	111.8	Q392 T393 R398 R430	Q392-N396 PolarHBondContact O-N 3.5Å; Q392-N396 PolarHBondContact O-ND2 2.92Å; T393-N396 PolarHBondContact O-N 2.9Å; T393-N396 VanDerWaalsContact O-N 3.09Å; N396-R398 PolarHBondContact O-N 2.86Å; N396-R398 VanDerWaalsContact O-N 3.09Å; N396-R430 VanDerWaalsContact OD1-CZ 3.25Å; N396-R430 PolarHBondContact OD1-NH1 2.99Å; N396-R430 PolarHBondContact OD1-NH2 2.79Å
397	M	95.9	Very high	96.1	Very high	58 Å²	58	38.8 Å²	38.8	29%	0.286	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	14.1	178.3	-67.8	-179.9	169.9	0	0	114.6	L359 E360 L363 T393 G399	L359-M397 HydrophobicContact CD2-SD 4.4Å; L359-M397 HydrophobicContact CG-SD 4.34Å; E360-M397 HydrophobicContact CB-CE 4.09Å; E360-M397 HydrophobicContact CB-SD 4.1Å; E360-M397 HydrophobicContact CG-CE 4.37Å; E360-M397 HydrophobicContact CG-SD 4.26Å; L363-M397 HydrophobicContact CD1-CB 3.58Å; L363-M397 HydrophobicContact CD1-CG 4.46Å; L363-M397 HydrophobicContact CD1-SD 4.08Å; T393-M397 HydrophobicContact CG2-CE 3.71Å; T393-M397 HydrophobicContact CG2-CG 4.13Å; T393-M397 HydrophobicContact CG2-SD 3.78Å; T393-M397 WeakPolarHBondContact O-CB 3.36Å; T393-M397 WeakPolarHBondContact O-CG 3.48Å; T393-M397 PolarHBondContact O-N 2.7Å; M397-G399 PolarHBondContact O-N 3.09Å; M397-G399 VanDerWaalsContact O-N 3.15Å
398	R	95.9	Very high	96.1	Very high	183 Å²	183	43 Å²	43	69%	0.691	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	25	-177.2	-53.4	-179.5	-179.1	-176.2	0.2	114.3	I394 N396 L400 Q401 R402	I394-R398 PolarHBondContact O-N 3.44Å; N396-R398 PolarHBondContact O-N 2.86Å; N396-R398 VanDerWaalsContact O-N 3.09Å; R398-L400 VanDerWaalsContact C-N 3.34Å; R398-L400 PolarHBondContact O-N 3.02Å; R398-Q401 VanDerWaalsContact C-OE1 3.24Å; R398-Q401 VanDerWaalsContact CA-OE1 3.23Å; R398-Q401 WeakPolarHBondContact O-CB 3.39Å; R398-Q401 PolarHBondContact O-N 3.25Å; R398-Q401 VanDerWaalsContact O-N 3.15Å; R398-Q401 PolarHBondContact O-OE1 3.19Å; R398-Q401 VanDerWaalsContact O-OE1 3.08Å; R398-R402 PolarHBondContact O-N 2.67Å
399	G	97	Very high	96.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-35	-175.6	0	0	0	0	0	113.7	I394 M397 Q401 R402 M403	I394-G399 WeakPolarHBondContact O-CA 3.48Å; I394-G399 PolarHBondContact O-N 3.09Å; M397-G399 PolarHBondContact O-N 3.09Å; M397-G399 VanDerWaalsContact O-N 3.15Å; G399-Q401 VanDerWaalsContact C-N 3.26Å; G399-Q401 PolarHBondContact O-N 3.25Å; G399-R402 PolarHBondContact O-N 3.12Å; G399-R402 VanDerWaalsContact O-N 3.14Å; G399-M403 VanDerWaalsContact O-CG 3.3Å; G399-M403 WeakPolarHBondContact O-CG 3.36Å; G399-M403 PolarHBondContact O-N 2.97Å
400	L	97.9	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-36.8	173.6	-77.7	179.1	0	0	0	112.8	V395 R398 M403 V404 I422 V425 A431 I434 V435	V395-L400 HydrophobicContact CG2-CD1 3.62Å; V395-L400 HydrophobicContact CG2-CG 4.08Å; R398-L400 VanDerWaalsContact C-N 3.34Å; R398-L400 PolarHBondContact O-N 3.02Å; L400-M403 HydrophobicContact CD2-SD 4.27Å; L400-V404 WeakPolarHBondContact O-CB 3.47Å; L400-V404 VanDerWaalsContact O-CG2 3.25Å; L400-V404 WeakPolarHBondContact O-CG2 3.49Å; L400-V404 PolarHBondContact O-N 3.18Å; L400-I422 HydrophobicContact CD2-CG1 4.17Å; L400-V425 HydrophobicContact CD1-CG1 4.16Å; L400-V425 HydrophobicContact CD2-CB 3.94Å; L400-V425 HydrophobicContact CD2-CG1 3.7Å; L400-V425 HydrophobicContact CG-CG1 3.9Å; L400-A431 HydrophobicContact CD1-CB 3.85Å; L400-I434 HydrophobicContact CB-CG2 3.78Å; L400-I434 HydrophobicContact CD1-CB 4.16Å; L400-I434 HydrophobicContact CD1-CG2 4.07Å; L400-V435 HydrophobicContact CD1-CG2 4.05Å; L400-V435 HydrophobicContact CD2-CG2 3.96Å; L400-V435 HydrophobicContact CG-CG2 4.42Å
401	Q	97.6	Very high	96.1	Very high	33 Å²	33	44.9 Å²	44.9	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-45.8	176.2	-72	83.9	-17.9	0	0	111	R398 G399 M403 V404 N405 I434 H438	R398-Q401 VanDerWaalsContact C-OE1 3.24Å; R398-Q401 VanDerWaalsContact CA-OE1 3.23Å; R398-Q401 WeakPolarHBondContact O-CB 3.39Å; R398-Q401 PolarHBondContact O-N 3.25Å; R398-Q401 VanDerWaalsContact O-N 3.15Å; R398-Q401 PolarHBondContact O-OE1 3.19Å; R398-Q401 VanDerWaalsContact O-OE1 3.08Å; G399-Q401 VanDerWaalsContact C-N 3.26Å; G399-Q401 PolarHBondContact O-N 3.25Å; Q401-M403 PolarHBondContact O-N 3.31Å; Q401-V404 PolarHBondContact O-N 3.09Å; Q401-N405 PolarHBondContact O-N 3.36Å; Q401-N405 PolarHBondContact O-OD1 3.5Å; Q401-I434 VanDerWaalsContact CD-CG2 3.49Å; Q401-I434 HydrophobicContact CG-CG2 4.26Å; Q401-H438 WeakPolarHBondContact CG-CE1 3.05Å; Q401-H438 VanDerWaalsContact CG-NE2 3.29Å; Q401-H438 WeakPolarHBondContact CG-NE2 3.3Å; Q401-H438 PolarHBondContact NE2-NE2 3.17Å
402	R	97.9	Very high	96	Very high	43 Å²	43	46.1 Å²	46.1	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-43.9	177.6	-52	-177.2	-160.6	-134.9	27.7	111	L363 N364 L366 D367 R398 G399 N405 N406	L363-R402 WeakPolarHBondContact O-CD 3.06Å; N364-R402 VanDerWaalsContact OD1-CZ 3.23Å; N364-R402 PolarHBondContact OD1-NH1 3.45Å; N364-R402 PolarHBondContact OD1-NH2 3.28Å; L366-R402 HydrophobicContact CB-CB 4Å; L366-R402 HydrophobicContact CD1-CB 4.08Å; D367-R402 WeakPolarHBondContact OD1-CG 3.5Å; D367-R402 WeakPolarHBondContact OD2-CD 3.32Å; D367-R402 WeakPolarHBondContact OD2-CG 3.45Å; D367-R402 IonicContact OD2-CZ 3.99Å; D367-R402 IonicContact OD2-NE 3.96Å; D367-R402 IonicContact OD2-NH1 2.7Å; D367-R402 PolarHBondContact OD2-NH1 2.96Å; R398-R402 PolarHBondContact O-N 2.67Å; G399-R402 PolarHBondContact O-N 3.12Å; G399-R402 VanDerWaalsContact O-N 3.14Å; R402-N405 PolarHBondContact O-N 3.21Å; R402-N406 PolarHBondContact O-N 2.83Å; R402-N406 PolarHBondContact O-ND2 3.02Å
403	M	98	Very high	96	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-48.1	174.1	-64.3	161.7	-170.1	0	0	111.6	L363 L366 L378 L381 I394 G399 L400 Q401 N405 N406 L407 T421 I422	L363-M403 HydrophobicContact CD2-CE 3.84Å; L366-M403 HydrophobicContact CD1-CE 4.44Å; L366-M403 HydrophobicContact CD1-CG 4.02Å; L378-M403 HydrophobicContact CD2-CG 4.28Å; L381-M403 HydrophobicContact CD1-CE 4.36Å; I394-M403 HydrophobicContact CG2-CE 3.77Å; G399-M403 VanDerWaalsContact O-CG 3.3Å; G399-M403 WeakPolarHBondContact O-CG 3.36Å; G399-M403 PolarHBondContact O-N 2.97Å; L400-M403 HydrophobicContact CD2-SD 4.27Å; Q401-M403 PolarHBondContact O-N 3.31Å; M403-N405 VanDerWaalsContact C-N 3.31Å; M403-N405 PolarHBondContact O-N 3.41Å; M403-N406 PolarHBondContact O-N 3.02Å; M403-N406 VanDerWaalsContact O-N 3.16Å; M403-L407 PolarHBondContact O-N 2.95Å; M403-T421 HydrophobicContact CE-CG2 3.4Å; M403-T421 VanDerWaalsContact CE-CG2 3.4Å; M403-T421 HydrophobicContact SD-CG2 3.71Å; M403-I422 HydrophobicContact CB-CD1 3.9Å; M403-I422 HydrophobicContact CB-CG1 3.83Å; M403-I422 HydrophobicContact SD-CG1 4.31Å
404	V	98.2	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-30.6	178.8	167.4	0	0	0	0	112.9	L400 Q401 I422 V435 H438 K443	L400-V404 WeakPolarHBondContact O-CB 3.47Å; L400-V404 VanDerWaalsContact O-CG2 3.25Å; L400-V404 WeakPolarHBondContact O-CG2 3.49Å; L400-V404 PolarHBondContact O-N 3.18Å; Q401-V404 PolarHBondContact O-N 3.09Å; V404-I422 HydrophobicContact CG2-CD1 3.74Å; V404-V435 HydrophobicContact CG2-CB 4.42Å; V404-V435 HydrophobicContact CG2-CG1 3.9Å; V404-V435 HydrophobicContact CG2-CG2 4.38Å; V404-H438 HydrophobicContact CG1-CB 3.93Å; V404-H438 VanDerWaalsContact CG1-O 3.23Å; V404-H438 WeakPolarHBondContact CG1-O 3.29Å; V404-K443 HydrophobicContact CG1-CD 4.28Å; V404-K443 VanDerWaalsContact O-CD 3.3Å; V404-K443 WeakPolarHBondContact O-CD 3.24Å; V404-K443 PolarHBondContact O-NZ 3.41Å
405	N	97.1	Very high	96	Very high	81 Å²	81	45.4 Å²	45.4	43%	0.433	23%	0.225	S	C	.	.	H	α-helix	trans	-70	-40.8	172.7	-68.3	-10	0	0	0	111.4	Q401 R402 M403 L407 D408	Q401-N405 PolarHBondContact O-N 3.36Å; Q401-N405 PolarHBondContact O-OD1 3.5Å; R402-N405 PolarHBondContact O-N 3.21Å; M403-N405 VanDerWaalsContact C-N 3.31Å; M403-N405 PolarHBondContact O-N 3.41Å; N405-L407 PolarHBondContact O-N 2.71Å; N405-D408 PolarHBondContact O-N 3.03Å; N405-D408 VanDerWaalsContact O-N 3.13Å
406	N	97.4	Very high	96	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-15.6	-180	-78.2	-78.6	0	0	0	114.1	L366 K374 R402 M403 D408 I409 L414	L366-N406 PolarHBondContact O-ND2 3.37Å; L366-N406 PolarHBondContact O-OD1 3.15Å; K374-N406 WeakPolarHBondContact CD-OD1 3.11Å; K374-N406 PolarHBondContact NZ-OD1 3.08Å; R402-N406 PolarHBondContact O-N 2.83Å; R402-N406 PolarHBondContact O-ND2 3.02Å; M403-N406 PolarHBondContact O-N 3.02Å; M403-N406 VanDerWaalsContact O-N 3.16Å; N406-D408 PolarHBondContact O-N 3.1Å; N406-I409 PolarHBondContact O-N 3.13Å; N406-I409 VanDerWaalsContact OD1-CD1 3.28Å; N406-I409 WeakPolarHBondContact OD1-CD1 3.3Å; N406-L414 HydrophobicContact CB-CD2 4.28Å
407	L	97.1	Very high	96.2	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.1	169.8	-61	178.1	0	0	0	113.6	M403 N405 I409 Q415 A418 S419 I422 K443 L444 L447	M403-L407 PolarHBondContact O-N 2.95Å; N405-L407 PolarHBondContact O-N 2.71Å; L407-I409 VanDerWaalsContact C-N 3.28Å; L407-Q415 PolarHBondContact O-NE2 2.79Å; L407-A418 HydrophobicContact CD2-CB 3.73Å; L407-S419 WeakPolarHBondContact CD2-OG 3.39Å; L407-I422 HydrophobicContact CD1-CD1 4.01Å; L407-I422 HydrophobicContact CG-CD1 4.5Å; L407-K443 HydrophobicContact CB-CB 4.08Å; L407-K443 HydrophobicContact CB-CD 3.93Å; L407-K443 HydrophobicContact CD1-CB 3.96Å; L407-K443 HydrophobicContact CD1-CD 4.38Å; L407-L444 HydrophobicContact CD1-CD2 3.84Å; L407-L444 HydrophobicContact CD1-CG 3.95Å; L407-L444 HydrophobicContact CD2-CD2 4.4Å; L407-L447 HydrophobicContact CD2-CD1 4.2Å
408	D	95.1	Very high	96.3	Very high	103 Å²	103	39.7 Å²	39.7	55%	0.551	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.2	177.4	-60	-36.3	0	0	0	112.9	N405 N406 K443	N405-D408 PolarHBondContact O-N 3.03Å; N405-D408 VanDerWaalsContact O-N 3.13Å; N406-D408 PolarHBondContact O-N 3.1Å; D408-K443 WeakPolarHBondContact OD1-CD 3.4Å; D408-K443 WeakPolarHBondContact OD1-CE 3.27Å; D408-K443 IonicContact OD1-NZ 2.62Å; D408-K443 PolarHBondContact OD1-NZ 3.38Å; D408-K443 IonicContact OD2-NZ 2.6Å; D408-K443 PolarHBondContact OD2-NZ 2.94Å
409	I	95.1	Very high	96.4	Very high	48 Å²	48	31 Å²	31	25%	0.246	16%	0.163	C	C	.	.	S	Bend	trans	-81.3	124.5	-178.3	-59.7	178.9	0	0	0	108.3	N406 L407 V411 L414 Q415	N406-I409 PolarHBondContact O-N 3.13Å; N406-I409 VanDerWaalsContact OD1-CD1 3.28Å; N406-I409 WeakPolarHBondContact OD1-CD1 3.3Å; L407-I409 VanDerWaalsContact C-N 3.28Å; I409-V411 HydrophobicContact CG2-CB 4.33Å; I409-V411 HydrophobicContact CG2-CG2 3.94Å; I409-V411 PolarHBondContact O-N 3.4Å; I409-L414 HydrophobicContact CB-CD2 3.94Å; I409-L414 HydrophobicContact CD1-CD2 3.97Å; I409-L414 HydrophobicContact CG1-CD2 4.5Å; I409-L414 HydrophobicContact CG2-CD2 3.94Å; I409-Q415 VanDerWaalsContact O-CD 3.26Å; I409-Q415 VanDerWaalsContact O-CG 3.3Å; I409-Q415 WeakPolarHBondContact O-CG 3.43Å; I409-Q415 PolarHBondContact O-NE2 3.22Å
410	P	91.8	Very high	96.5	Very high	119 Å²	119	33.5 Å²	33.5	77%	0.773	18%	0.175	S	C	*	.			trans	-79.5	57	-174	34.3	-37.8	0	0	0	112.4
411	V	93.1	Very high	96.5	Very high	39 Å²	39	33.5 Å²	33.5	24%	0.236	18%	0.175	C	C	.	.			trans	-123.1	106.4	175.4	174.8	0	0	0	0	107.4	I371 I375 I409 E413 L414 Q415	I371-V411 HydrophobicContact CD1-CG2 4.17Å; I371-V411 HydrophobicContact CG2-CG1 4.02Å; I371-V411 HydrophobicContact CG2-CG2 4.23Å; I375-V411 HydrophobicContact CD1-CG1 4.26Å; I409-V411 HydrophobicContact CG2-CB 4.33Å; I409-V411 HydrophobicContact CG2-CG2 3.94Å; I409-V411 PolarHBondContact O-N 3.4Å; V411-E413 PolarHBondContact O-N 3.34Å; V411-L414 HydrophobicContact CB-CB 3.96Å; V411-L414 HydrophobicContact CG1-CB 3.89Å; V411-L414 WeakPolarHBondContact O-CB 3.48Å; V411-L414 PolarHBondContact O-N 3.13Å; V411-Q415 WeakPolarHBondContact O-CG 3.38Å; V411-Q415 PolarHBondContact O-N 3Å
412	K	92.6	Very high	96.6	Very high	55 Å²	55	32 Å²	32	24%	0.239	17%	0.168	C	C	.	.	H	α-helix	trans	-51.9	-51.9	-171	-62.8	-176.6	-177.2	-179.7	0	113	L414 Q415 A416 D460 M463 N464 V467	K412-L414 VanDerWaalsContact C-N 3.28Å; K412-L414 PolarHBondContact O-N 2.93Å; K412-Q415 PolarHBondContact O-N 3.06Å; K412-Q415 VanDerWaalsContact O-N 3.08Å; K412-A416 PolarHBondContact O-N 3.32Å; K412-D460 PolarHBondContact NZ-O 3.4Å; K412-D460 IonicContact NZ-OD1 2.73Å; K412-D460 PolarHBondContact NZ-OD1 3.02Å; K412-M463 HydrophobicContact CB-CG 3.41Å; K412-M463 VanDerWaalsContact CB-CG 3.41Å; K412-M463 HydrophobicContact CB-SD 3.91Å; K412-M463 HydrophobicContact CD-CB 4.07Å; K412-M463 HydrophobicContact CD-CG 3.46Å; K412-M463 VanDerWaalsContact CD-CG 3.46Å; K412-M463 HydrophobicContact CG-CG 4.08Å; K412-N464 WeakPolarHBondContact CE-OD1 3.47Å; K412-N464 PolarHBondContact NZ-OD1 3.4Å; K412-V467 HydrophobicContact CB-CG2 3.71Å; K412-V467 HydrophobicContact CG-CG2 4.4Å; K412-V467 WeakPolarHBondContact O-CG2 3.47Å
413	E	94.4	Very high	96.6	Very high	68 Å²	68	30.1 Å²	30.1	32%	0.318	16%	0.162	S	C	.	.	H	α-helix	trans	-56.3	-40.8	178.2	-176.2	-179.2	-166.8	0	0	112.5	I375 K379 V411 L417 M463	I375-E413 HydrophobicContact CD1-CB 4.48Å; I375-E413 HydrophobicContact CD1-CG 4.41Å; I375-E413 HydrophobicContact CG2-CG 4.19Å; I375-E413 WeakPolarHBondContact CG2-OE1 3.48Å; K379-E413 WeakPolarHBondContact CE-OE1 3.19Å; K379-E413 IonicContact NZ-OE1 3.4Å; K379-E413 PolarHBondContact NZ-OE1 3.3Å; V411-E413 PolarHBondContact O-N 3.34Å; E413-L417 HydrophobicContact CG-CD1 3.9Å; E413-L417 WeakPolarHBondContact O-CB 3.37Å; E413-L417 WeakPolarHBondContact O-CD1 3.33Å; E413-L417 VanDerWaalsContact O-CG 3.26Å; E413-L417 WeakPolarHBondContact O-CG 3.1Å; E413-L417 PolarHBondContact O-N 3.22Å; E413-M463 HydrophobicContact CB-SD 4.36Å
414	L	96.4	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.2	-41.2	177.7	-171	77.1	0	0	0	111.5	K374 I375 L378 N406 I409 V411 K412 A418	K374-L414 HydrophobicContact CB-CD1 3.5Å; K374-L414 HydrophobicContact CD-CD1 4.39Å; K374-L414 HydrophobicContact CD-CD2 4.31Å; I375-L414 HydrophobicContact CG1-CB 4.19Å; I375-L414 HydrophobicContact CG1-CD1 3.76Å; L378-L414 HydrophobicContact CD1-CD1 3.64Å; L378-L414 HydrophobicContact CD1-CG 4.31Å; N406-L414 HydrophobicContact CB-CD2 4.28Å; I409-L414 HydrophobicContact CB-CD2 3.94Å; I409-L414 HydrophobicContact CD1-CD2 3.97Å; I409-L414 HydrophobicContact CG1-CD2 4.5Å; I409-L414 HydrophobicContact CG2-CD2 3.94Å; V411-L414 HydrophobicContact CB-CB 3.96Å; V411-L414 HydrophobicContact CG1-CB 3.89Å; V411-L414 WeakPolarHBondContact O-CB 3.48Å; V411-L414 PolarHBondContact O-N 3.13Å; K412-L414 VanDerWaalsContact C-N 3.28Å; K412-L414 PolarHBondContact O-N 2.93Å; L414-A418 WeakPolarHBondContact O-CB 3.22Å; L414-A418 PolarHBondContact O-N 3.25Å
415	Q	97	Very high	96.5	Very high	27 Å²	27	31.6 Å²	31.6	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-67.6	-38.9	178	-68	175.4	-49.8	0	0	111.9	L407 I409 V411 K412 S419 L447	L407-Q415 PolarHBondContact O-NE2 2.79Å; I409-Q415 VanDerWaalsContact O-CD 3.26Å; I409-Q415 VanDerWaalsContact O-CG 3.3Å; I409-Q415 WeakPolarHBondContact O-CG 3.43Å; I409-Q415 PolarHBondContact O-NE2 3.22Å; V411-Q415 WeakPolarHBondContact O-CG 3.38Å; V411-Q415 PolarHBondContact O-N 3Å; K412-Q415 PolarHBondContact O-N 3.06Å; K412-Q415 VanDerWaalsContact O-N 3.08Å; Q415-S419 VanDerWaalsContact O-CB 3.3Å; Q415-S419 WeakPolarHBondContact O-CB 3.4Å; Q415-S419 PolarHBondContact O-N 3.16Å; Q415-S419 PolarHBondContact O-OG 3.35Å; Q415-L447 HydrophobicContact CB-CD1 4.13Å; Q415-L447 HydrophobicContact CB-CD2 4.18Å; Q415-L447 HydrophobicContact CG-CD2 4.37Å
416	A	96.6	Very high	96.5	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-58	173.6	0	0	0	0	0	111	K412 A418 S419 E420 E466 V467 C470	K412-A416 PolarHBondContact O-N 3.32Å; A416-A418 VanDerWaalsContact C-N 3.33Å; A416-A418 PolarHBondContact O-N 2.91Å; A416-S419 CarbonylContact O-C 3.58Å; A416-S419 WeakPolarHBondContact O-CA 2.99Å; A416-S419 WeakPolarHBondContact O-CB 3.48Å; A416-S419 PolarHBondContact O-N 3.28Å; A416-E420 PolarHBondContact O-N 2.93Å; A416-E466 HydrophobicContact CB-CG 4.3Å; A416-V467 HydrophobicContact CB-CG2 4.05Å; A416-C470 HydrophobicContact CB-CB 4.29Å; A416-C470 WeakPolarHBondContact O-CB 3.28Å
417	L	98.1	Very high	96.4	Very high	21 Å²	21	31.8 Å²	31.8	11%	0.11	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-36.8	-178.3	-67.5	165.2	0	0	0	113.2	I375 L378 K379 E413 T421	I375-L417 HydrophobicContact CG2-CD1 3.89Å; L378-L417 HydrophobicContact CB-CB 3.77Å; L378-L417 HydrophobicContact CB-CD1 4.41Å; L378-L417 HydrophobicContact CD1-CB 4.19Å; K379-L417 HydrophobicContact CD-CD1 4.45Å; K379-L417 HydrophobicContact CG-CD1 3.72Å; K379-L417 HydrophobicContact CG-CD2 3.78Å; K379-L417 HydrophobicContact CG-CG 4.43Å; E413-L417 HydrophobicContact CG-CD1 3.9Å; E413-L417 WeakPolarHBondContact O-CB 3.37Å; E413-L417 WeakPolarHBondContact O-CD1 3.33Å; E413-L417 VanDerWaalsContact O-CG 3.26Å; E413-L417 WeakPolarHBondContact O-CG 3.1Å; E413-L417 PolarHBondContact O-N 3.22Å; L417-T421 WeakPolarHBondContact O-CB 3.44Å; L417-T421 PolarHBondContact O-N 2.69Å; L417-T421 PolarHBondContact O-OG1 3.05Å
418	A	98.4	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.5	-39.3	174.5	0	0	0	0	0	111.4	L378 L407 L414 A416 I422	L378-A418 HydrophobicContact CD1-CB 3.95Å; L407-A418 HydrophobicContact CD2-CB 3.73Å; L414-A418 WeakPolarHBondContact O-CB 3.22Å; L414-A418 PolarHBondContact O-N 3.25Å; A416-A418 VanDerWaalsContact C-N 3.33Å; A416-A418 PolarHBondContact O-N 2.91Å; A418-I422 WeakPolarHBondContact O-CB 3.3Å; A418-I422 WeakPolarHBondContact O-CD1 3.41Å; A418-I422 WeakPolarHBondContact O-CG1 3.46Å; A418-I422 PolarHBondContact O-N 3.37Å
419	S	98.3	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-43.8	176.4	-57.7	0	0	0	0	111.8	L407 Q415 A416 I422 A423 L444 L447 C470 A474	L407-S419 WeakPolarHBondContact CD2-OG 3.39Å; Q415-S419 VanDerWaalsContact O-CB 3.3Å; Q415-S419 WeakPolarHBondContact O-CB 3.4Å; Q415-S419 PolarHBondContact O-N 3.16Å; Q415-S419 PolarHBondContact O-OG 3.35Å; A416-S419 CarbonylContact O-C 3.58Å; A416-S419 WeakPolarHBondContact O-CA 2.99Å; A416-S419 WeakPolarHBondContact O-CB 3.48Å; A416-S419 PolarHBondContact O-N 3.28Å; S419-I422 WeakPolarHBondContact O-CB 3.47Å; S419-I422 PolarHBondContact O-N 3.46Å; S419-A423 PolarHBondContact O-N 2.82Å; S419-L444 WeakPolarHBondContact OG-CD2 3.47Å; S419-L447 WeakPolarHBondContact OG-CD1 2.98Å; S419-C470 WeakPolarHBondContact CB-O 3.08Å; S419-A474 WeakPolarHBondContact O-CB 3.35Å
420	E	98.1	Very high	96.3	Very high	54 Å²	54	35.4 Å²	35.4	25%	0.252	17%	0.169	S	C	.	.	H	α-helix	trans	-57.3	-50	173.5	-173.9	-175.9	-152.9	0	0	111.4	A382 A416 I422 A423 H424	A382-E420 HydrophobicContact CB-CG 4.48Å; A382-E420 WeakPolarHBondContact CB-OE2 3.4Å; A416-E420 PolarHBondContact O-N 2.93Å; E420-I422 VanDerWaalsContact C-N 3.29Å; E420-I422 PolarHBondContact O-N 3.18Å; E420-A423 CarbonylContact O-C 3.49Å; E420-A423 WeakPolarHBondContact O-CA 3.47Å; E420-A423 VanDerWaalsContact O-CB 3.24Å; E420-A423 WeakPolarHBondContact O-CB 3.41Å; E420-A423 PolarHBondContact O-N 2.71Å; E420-H424 PolarHBondContact O-N 2.85Å; E420-H424 IonicContact OE1-CE1 2.83Å
421	T	98.4	Very high	96.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-37.3	178.6	-49.3	0	0	0	0	111.4	L381 M403 L417 A423 H424 V425	L381-T421 HydrophobicContact CB-CG2 4Å; M403-T421 HydrophobicContact CE-CG2 3.4Å; M403-T421 VanDerWaalsContact CE-CG2 3.4Å; M403-T421 HydrophobicContact SD-CG2 3.71Å; L417-T421 WeakPolarHBondContact O-CB 3.44Å; L417-T421 PolarHBondContact O-N 2.69Å; L417-T421 PolarHBondContact O-OG1 3.05Å; T421-A423 VanDerWaalsContact C-N 3.34Å; T421-H424 PolarHBondContact O-N 2.94Å; T421-V425 HydrophobicContact CG2-CG2 4.41Å; T421-V425 WeakPolarHBondContact O-CB 3.5Å; T421-V425 VanDerWaalsContact O-CG2 3.29Å; T421-V425 WeakPolarHBondContact O-CG2 3.3Å; T421-V425 PolarHBondContact O-N 3.17Å
422	I	98.6	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-40.7	170.8	-72.8	163.9	0	0	0	111	L400 M403 V404 L407 A418 S419 E420 H424 V425 A426 V435 L444 A474 L478	L400-I422 HydrophobicContact CD2-CG1 4.17Å; M403-I422 HydrophobicContact CB-CD1 3.9Å; M403-I422 HydrophobicContact CB-CG1 3.83Å; M403-I422 HydrophobicContact SD-CG1 4.31Å; V404-I422 HydrophobicContact CG2-CD1 3.74Å; L407-I422 HydrophobicContact CD1-CD1 4.01Å; L407-I422 HydrophobicContact CG-CD1 4.5Å; A418-I422 WeakPolarHBondContact O-CB 3.3Å; A418-I422 WeakPolarHBondContact O-CD1 3.41Å; A418-I422 WeakPolarHBondContact O-CG1 3.46Å; A418-I422 PolarHBondContact O-N 3.37Å; S419-I422 WeakPolarHBondContact O-CB 3.47Å; S419-I422 PolarHBondContact O-N 3.46Å; E420-I422 VanDerWaalsContact C-N 3.29Å; E420-I422 PolarHBondContact O-N 3.18Å; I422-H424 PolarHBondContact O-N 3.1Å; I422-V425 PolarHBondContact O-N 3.31Å; I422-A426 WeakPolarHBondContact O-CB 3.49Å; I422-A426 PolarHBondContact O-N 2.85Å; I422-V435 HydrophobicContact CG2-CG1 4.2Å; I422-V435 HydrophobicContact CG2-CG2 4Å; I422-L444 HydrophobicContact CG2-CD1 4.42Å; I422-A474 HydrophobicContact CG2-CB 4.13Å; I422-L478 HydrophobicContact CG2-CD1 4.4Å
423	A	98.3	Very high	97	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.041	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-41.5	176.7	0	0	0	0	0	112.1	S419 E420 T421 K427 S473 A474 S477	S419-A423 PolarHBondContact O-N 2.82Å; E420-A423 CarbonylContact O-C 3.49Å; E420-A423 WeakPolarHBondContact O-CA 3.47Å; E420-A423 VanDerWaalsContact O-CB 3.24Å; E420-A423 WeakPolarHBondContact O-CB 3.41Å; E420-A423 PolarHBondContact O-N 2.71Å; T421-A423 VanDerWaalsContact C-N 3.34Å; A423-K427 WeakPolarHBondContact O-CE 3.2Å; A423-K427 PolarHBondContact O-NZ 2.78Å; A423-S473 WeakPolarHBondContact CB-O 3.17Å; A423-A474 HydrophobicContact CB-CB 4.26Å; A423-S477 WeakPolarHBondContact O-CB 3.2Å; A423-S477 PolarHBondContact O-OG 3.43Å; A423-S477 VanDerWaalsContact O-OG 3.07Å
424	H	97.6	Very high	97.2	Very high	31 Å²	31	30 Å²	30	14%	0.144	13%	0.126	C	C	.	.	H	α-helix	trans	-67.4	-42	175.6	-67.1	164.2	0	0	0	112.4	A382 S385 R391 E420 T421 I422 K427	A382-H424 PolarHBondContact O-CE1 3.24Å; A382-H424 PolarHBondContact O-ND1 2.84Å; S385-H424 VanDerWaalsContact OG-CB 3.31Å; S385-H424 WeakPolarHBondContact OG-CB 3.46Å; R391-H424 WeakPolarHBondContact CD-O 3.5Å; E420-H424 PolarHBondContact O-N 2.85Å; E420-H424 IonicContact OE1-CE1 2.83Å; T421-H424 PolarHBondContact O-N 2.94Å; I422-H424 PolarHBondContact O-N 3.1Å; H424-K427 WeakPolarHBondContact O-CG 3.44Å
425	V	97.8	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-81	-28.5	-176.7	178.4	0	0	0	0	113.6	I394 V395 L400 T421 I422 K427 A431	I394-V425 HydrophobicContact CB-CG1 4.49Å; I394-V425 HydrophobicContact CB-CG2 4.45Å; I394-V425 HydrophobicContact CD1-CG2 3.87Å; I394-V425 HydrophobicContact CG2-CG1 4.12Å; I394-V425 HydrophobicContact CG2-CG2 4.1Å; V395-V425 HydrophobicContact CG2-CG1 3.51Å; L400-V425 HydrophobicContact CD1-CG1 4.16Å; L400-V425 HydrophobicContact CD2-CB 3.94Å; L400-V425 HydrophobicContact CD2-CG1 3.7Å; L400-V425 HydrophobicContact CG-CG1 3.9Å; T421-V425 HydrophobicContact CG2-CG2 4.41Å; T421-V425 WeakPolarHBondContact O-CB 3.5Å; T421-V425 VanDerWaalsContact O-CG2 3.29Å; T421-V425 WeakPolarHBondContact O-CG2 3.3Å; T421-V425 PolarHBondContact O-N 3.17Å; I422-V425 PolarHBondContact O-N 3.31Å; V425-K427 PolarHBondContact O-N 2.99Å; V425-A431 WeakPolarHBondContact O-CB 3.39Å
426	A	96.9	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	27	-171.9	0	0	0	0	0	116.4	I422 F428 R432 L478	I422-A426 WeakPolarHBondContact O-CB 3.49Å; I422-A426 PolarHBondContact O-N 2.85Å; A426-F428 PolarHBondContact O-N 2.76Å; A426-R432 VanDerWaalsContact O-CG 3.27Å; A426-R432 WeakPolarHBondContact O-CG 3.4Å; A426-R432 PolarHBondContact O-NH1 3.03Å; A426-L478 HydrophobicContact CB-CD2 3.83Å; A426-L478 HydrophobicContact CB-CG 4.26Å
427	K	94.9	Very high	97.4	Very high	88 Å²	88	36.8 Å²	36.8	38%	0.383	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-14.1	-173.4	-53.3	-53.2	-174	-167.3	0	115.6	A423 H424 V425 R432 S477	A423-K427 WeakPolarHBondContact O-CE 3.2Å; A423-K427 PolarHBondContact O-NZ 2.78Å; H424-K427 WeakPolarHBondContact O-CG 3.44Å; V425-K427 PolarHBondContact O-N 2.99Å; K427-R432 PolarHBondContact O-NH1 2.92Å; K427-R432 PolarHBondContact O-NH2 3.35Å; K427-R432 VanDerWaalsContact O-NH2 3.14Å; K427-S477 PolarHBondContact NZ-OG 3.26Å
428	F	93.9	Very high	97.3	Very high	44 Å²	44	39.7 Å²	39.7	19%	0.193	17%	0.174	C	C	.	.	S	Bend	trans	-127.4	160.4	-176.9	61.5	-78.3	0	0	0	113.9	R391 V395 A426 R430 A431 R432	R391-F428 HydrophobicContact CB-CE1 4.4Å; V395-F428 HydrophobicContact CB-CZ 3.84Å; V395-F428 HydrophobicContact CG1-CE2 4.18Å; V395-F428 HydrophobicContact CG1-CZ 3.95Å; V395-F428 HydrophobicContact CG2-CE1 4.12Å; V395-F428 HydrophobicContact CG2-CZ 3.58Å; A426-F428 PolarHBondContact O-N 2.76Å; F428-R430 VanDerWaalsContact C-N 3.34Å; F428-R430 HydrophobicContact CD2-CB 3.94Å; F428-R430 HydrophobicContact CE2-CB 3.82Å; F428-R430 HydrophobicContact CE2-CG 4.45Å; F428-R430 PolarHBondContact O-N 2.52Å; F428-A431 HydrophobicContact CD1-CB 3.88Å; F428-A431 HydrophobicContact CD2-CB 4.29Å; F428-A431 HydrophobicContact CE1-CB 3.67Å; F428-A431 HydrophobicContact CE2-CB 4.11Å; F428-A431 HydrophobicContact CG-CB 4.19Å; F428-A431 HydrophobicContact CZ-CB 3.8Å; F428-A431 PolarHBondContact O-N 2.88Å; F428-A431 VanDerWaalsContact O-N 3.15Å; F428-R432 PolarHBondContact O-N 3.38Å
429	R	94.4	Very high	97.2	Very high	78 Å²	78	41.3 Å²	41.3	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-57.1	-33.3	-171	177.9	166.4	159.1	103.8	-13.5	115.7	E292 E294 R433	E292-R429 IonicContact OE2-CZ 3.8Å; E292-R429 IonicContact OE2-NH1 3.23Å; E292-R429 PolarHBondContact OE2-NH1 3.16Å; E294-R429 WeakPolarHBondContact OE2-CB 3.48Å; E294-R429 PolarHBondContact OE2-N 2.84Å; R429-R433 WeakPolarHBondContact O-CB 3.33Å; R429-R433 PolarHBondContact O-N 2.97Å
430	R	96.3	Very high	97.2	Very high	110 Å²	110	41.3 Å²	41.3	42%	0.415	19%	0.19	S	C	.	.	H	α-helix	trans	-71.6	-45.6	175.7	177.1	177.2	170.6	-154.6	-8.8	111.7	V395 N396 F428 R433 I434	V395-R430 HydrophobicContact CG1-CG 4.08Å; N396-R430 VanDerWaalsContact OD1-CZ 3.25Å; N396-R430 PolarHBondContact OD1-NH1 2.99Å; N396-R430 PolarHBondContact OD1-NH2 2.79Å; F428-R430 VanDerWaalsContact C-N 3.34Å; F428-R430 HydrophobicContact CD2-CB 3.94Å; F428-R430 HydrophobicContact CE2-CB 3.82Å; F428-R430 HydrophobicContact CE2-CG 4.45Å; F428-R430 PolarHBondContact O-N 2.52Å; R430-R433 WeakPolarHBondContact O-CB 3.07Å; R430-R433 PolarHBondContact O-N 3.16Å; R430-I434 HydrophobicContact CG-CD1 4.11Å; R430-I434 WeakPolarHBondContact O-CG1 3.4Å; R430-I434 PolarHBondContact O-N 3.5Å; R430-I434 VanDerWaalsContact O-N 3.15Å
431	A	97.1	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-50.6	174.7	0	0	0	0	0	111.8	V395 L400 V425 F428 R433 I434 V435	V395-A431 HydrophobicContact CG2-CB 3.97Å; L400-A431 HydrophobicContact CD1-CB 3.85Å; V425-A431 WeakPolarHBondContact O-CB 3.39Å; F428-A431 HydrophobicContact CD1-CB 3.88Å; F428-A431 HydrophobicContact CD2-CB 4.29Å; F428-A431 HydrophobicContact CE1-CB 3.67Å; F428-A431 HydrophobicContact CE2-CB 4.11Å; F428-A431 HydrophobicContact CG-CB 4.19Å; F428-A431 HydrophobicContact CZ-CB 3.8Å; F428-A431 PolarHBondContact O-N 2.88Å; F428-A431 VanDerWaalsContact O-N 3.15Å; A431-R433 PolarHBondContact O-N 3.41Å; A431-I434 PolarHBondContact O-N 2.88Å; A431-I434 VanDerWaalsContact O-N 3.13Å; A431-V435 PolarHBondContact O-N 3.17Å
432	R	98.1	Very high	97.2	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.049	20%	0.198	C	C	.	.	H	α-helix	trans	-54.3	-37.2	175.8	-75.9	-168.4	-86.2	-85.1	0.2	113.3	E294 A426 K427 F428 N484	E294-R432 IonicContact OE1-CZ 3.38Å; E294-R432 IonicContact OE1-NH2 2.73Å; E294-R432 PolarHBondContact OE1-NH2 3.37Å; A426-R432 VanDerWaalsContact O-CG 3.27Å; A426-R432 WeakPolarHBondContact O-CG 3.4Å; A426-R432 PolarHBondContact O-NH1 3.03Å; K427-R432 PolarHBondContact O-NH1 2.92Å; K427-R432 PolarHBondContact O-NH2 3.35Å; K427-R432 VanDerWaalsContact O-NH2 3.14Å; F428-R432 PolarHBondContact O-N 3.38Å; R432-N484 PolarHBondContact O-ND2 2.86Å; R432-N484 PolarHBondContact O-OD1 3.42Å
433	R	97.6	Very high	97.2	Very high	131 Å²	131	43.2 Å²	43.2	49%	0.494	21%	0.205	S	C	.	.	H	α-helix	trans	-68.2	-45.4	178	-172.4	-168.8	-54.7	-177	3.8	111.8	R429 R430 A431 R436 V437	R429-R433 WeakPolarHBondContact O-CB 3.33Å; R429-R433 PolarHBondContact O-N 2.97Å; R430-R433 WeakPolarHBondContact O-CB 3.07Å; R430-R433 PolarHBondContact O-N 3.16Å; A431-R433 PolarHBondContact O-N 3.41Å; R433-R436 PolarHBondContact O-N 3.14Å; R433-V437 HydrophobicContact CG-CG2 4.34Å; R433-V437 WeakPolarHBondContact O-CG2 3.29Å; R433-V437 PolarHBondContact O-N 2.83Å
434	I	98	Very high	97.2	Very high	23 Å²	23	43 Å²	43	12%	0.118	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-50.3	-176	-74.3	161.9	0	0	0	111	V395 L400 Q401 R430 A431 R436 V437 H438	V395-I434 HydrophobicContact CG1-CD1 3.69Å; L400-I434 HydrophobicContact CB-CG2 3.78Å; L400-I434 HydrophobicContact CD1-CB 4.16Å; L400-I434 HydrophobicContact CD1-CG2 4.07Å; Q401-I434 VanDerWaalsContact CD-CG2 3.49Å; Q401-I434 HydrophobicContact CG-CG2 4.26Å; R430-I434 HydrophobicContact CG-CD1 4.11Å; R430-I434 WeakPolarHBondContact O-CG1 3.4Å; R430-I434 PolarHBondContact O-N 3.5Å; R430-I434 VanDerWaalsContact O-N 3.15Å; A431-I434 PolarHBondContact O-N 2.88Å; A431-I434 VanDerWaalsContact O-N 3.13Å; I434-R436 VanDerWaalsContact C-N 3.27Å; I434-R436 PolarHBondContact O-N 2.7Å; I434-V437 PolarHBondContact O-N 2.77Å; I434-V437 VanDerWaalsContact O-N 3.1Å; I434-H438 PolarHBondContact O-CD2 2.91Å; I434-H438 PolarHBondContact O-N 3.23Å
435	V	98.5	Very high	97.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-38	-179.5	-178.7	0	0	0	0	111.9	L400 V404 I422 A431 G440 L444 L478	L400-V435 HydrophobicContact CD1-CG2 4.05Å; L400-V435 HydrophobicContact CD2-CG2 3.96Å; L400-V435 HydrophobicContact CG-CG2 4.42Å; V404-V435 HydrophobicContact CG2-CB 4.42Å; V404-V435 HydrophobicContact CG2-CG1 3.9Å; V404-V435 HydrophobicContact CG2-CG2 4.38Å; I422-V435 HydrophobicContact CG2-CG1 4.2Å; I422-V435 HydrophobicContact CG2-CG2 4Å; A431-V435 PolarHBondContact O-N 3.17Å; V435-G440 WeakPolarHBondContact O-CA 3.49Å; V435-G440 PolarHBondContact O-N 3.18Å; V435-L444 HydrophobicContact CG1-CD1 4.36Å; V435-L478 HydrophobicContact CB-CD1 4.42Å; V435-L478 HydrophobicContact CB-CD2 3.64Å; V435-L478 HydrophobicContact CG1-CD1 3.69Å; V435-L478 HydrophobicContact CG1-CD2 3.86Å; V435-L478 HydrophobicContact CG1-CG 4.44Å; V435-L478 HydrophobicContact CG2-CD2 3.99Å
436	R	97.9	Very high	97	Very high	74 Å²	74	47.5 Å²	47.5	28%	0.279	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-44.2	174.6	179.4	169.4	53.4	80.8	9.8	112.7	R433 I434 H438 G439 I441 K483 N484 A487	R433-R436 PolarHBondContact O-N 3.14Å; I434-R436 VanDerWaalsContact C-N 3.27Å; I434-R436 PolarHBondContact O-N 2.7Å; R436-H438 VanDerWaalsContact C-N 3.35Å; R436-G439 PolarHBondContact O-N 3.3Å; R436-I441 HydrophobicContact CB-CD1 3.73Å; R436-I441 HydrophobicContact CB-CG1 4.5Å; R436-I441 HydrophobicContact CG-CD1 3.99Å; R436-K483 WeakPolarHBondContact CD-O 3.48Å; R436-K483 PolarHBondContact NE-O 3.47Å; R436-N484 VanDerWaalsContact CD-OD1 3.22Å; R436-N484 WeakPolarHBondContact CD-OD1 3.36Å; R436-N484 PolarHBondContact NE-OD1 3.01Å; R436-A487 HydrophobicContact CG-CB 4.1Å
437	V	97.3	Very high	96.8	Very high	101 Å²	101	47.9 Å²	47.9	61%	0.612	22%	0.224	S	C	*	.	H	α-helix	trans	-66.1	-37.3	-177.8	168.9	0	0	0	0	111.5	R433 I434 G439	R433-V437 HydrophobicContact CG-CG2 4.34Å; R433-V437 WeakPolarHBondContact O-CG2 3.29Å; R433-V437 PolarHBondContact O-N 2.83Å; I434-V437 PolarHBondContact O-N 2.77Å; I434-V437 VanDerWaalsContact O-N 3.1Å; V437-G439 PolarHBondContact O-N 2.71Å
438	H	97.2	Very high	96.7	Very high	82 Å²	82	43.8 Å²	43.8	38%	0.38	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	18.4	175.3	-69.7	-91.3	0	0	0	113.7	Q401 V404 I434 R436 G440	Q401-H438 WeakPolarHBondContact CG-CE1 3.05Å; Q401-H438 VanDerWaalsContact CG-NE2 3.29Å; Q401-H438 WeakPolarHBondContact CG-NE2 3.3Å; Q401-H438 PolarHBondContact NE2-NE2 3.17Å; V404-H438 HydrophobicContact CG1-CB 3.93Å; V404-H438 VanDerWaalsContact CG1-O 3.23Å; V404-H438 WeakPolarHBondContact CG1-O 3.29Å; I434-H438 PolarHBondContact O-CD2 2.91Å; I434-H438 PolarHBondContact O-N 3.23Å; R436-H438 VanDerWaalsContact C-N 3.35Å; H438-G440 PolarHBondContact O-N 3.49Å; H438-G440 VanDerWaalsContact O-N 3.13Å
439	G	97.1	Very high	96.3	Very high	33 Å²	33	46.6 Å²	46.6	34%	0.34	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	1.1	174.5	0	0	0	0	0	115.8	R436 V437 I441 S442 K443	R436-G439 PolarHBondContact O-N 3.3Å; V437-G439 PolarHBondContact O-N 2.71Å; G439-I441 PolarHBondContact O-N 3.22Å; G439-I441 VanDerWaalsContact O-N 3.1Å; G439-S442 PolarHBondContact O-N 2.99Å; G439-K443 PolarHBondContact O-N 3.19Å
440	G	98.1	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-30.7	-172.8	0	0	0	0	0	114.5	V435 H438 S442 K443 L444	V435-G440 WeakPolarHBondContact O-CA 3.49Å; V435-G440 PolarHBondContact O-N 3.18Å; H438-G440 PolarHBondContact O-N 3.49Å; H438-G440 VanDerWaalsContact O-N 3.13Å; G440-S442 VanDerWaalsContact C-N 3.32Å; G440-S442 PolarHBondContact O-N 2.93Å; G440-K443 PolarHBondContact O-N 2.81Å; G440-L444 WeakPolarHBondContact O-CB 3.36Å; G440-L444 VanDerWaalsContact O-CG 3.23Å; G440-L444 WeakPolarHBondContact O-CG 3.28Å; G440-L444 PolarHBondContact O-N 3.28Å
441	I	98.4	Very high	93.6	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-39.1	174.7	-68.5	175.8	0	0	0	112	R436 G439 V445 L475 L478 N484 A487 I488	R436-I441 HydrophobicContact CB-CD1 3.73Å; R436-I441 HydrophobicContact CB-CG1 4.5Å; R436-I441 HydrophobicContact CG-CD1 3.99Å; G439-I441 PolarHBondContact O-N 3.22Å; G439-I441 VanDerWaalsContact O-N 3.1Å; I441-V445 VanDerWaalsContact O-CG2 3.32Å; I441-V445 WeakPolarHBondContact O-CG2 3.48Å; I441-V445 PolarHBondContact O-N 2.8Å; I441-L475 HydrophobicContact CG2-CD2 4.27Å; I441-L478 HydrophobicContact CG1-CD1 4.05Å; I441-N484 HydrophobicContact CD1-CB 3.83Å; I441-A487 HydrophobicContact CB-CB 4.3Å; I441-A487 HydrophobicContact CD1-CB 3.74Å; I441-A487 HydrophobicContact CG2-CB 3.91Å; I441-I488 HydrophobicContact CG2-CB 4.38Å; I441-I488 HydrophobicContact CG2-CG1 3.67Å
442	S	97.6	Very high	91.4	Very high	55 Å²	55	44.8 Å²	44.8	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-69.7	-36	176.7	178.4	0	0	0	0	111.7	G439 G440 K446	G439-S442 PolarHBondContact O-N 2.99Å; G440-S442 VanDerWaalsContact C-N 3.32Å; G440-S442 PolarHBondContact O-N 2.93Å; S442-K446 WeakPolarHBondContact O-CG 3.29Å; S442-K446 PolarHBondContact O-N 2.93Å
443	K	97.6	Very high	89.3	Confident	36 Å²	36	53 Å²	53	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-49.1	176	-53.3	-175.9	-173.5	-166.3	0	111.1	V404 L407 D408 G439 G440 V445 K446 L447	V404-K443 HydrophobicContact CG1-CD 4.28Å; V404-K443 VanDerWaalsContact O-CD 3.3Å; V404-K443 WeakPolarHBondContact O-CD 3.24Å; V404-K443 PolarHBondContact O-NZ 3.41Å; L407-K443 HydrophobicContact CB-CB 4.08Å; L407-K443 HydrophobicContact CB-CD 3.93Å; L407-K443 HydrophobicContact CD1-CB 3.96Å; L407-K443 HydrophobicContact CD1-CD 4.38Å; D408-K443 WeakPolarHBondContact OD1-CD 3.4Å; D408-K443 WeakPolarHBondContact OD1-CE 3.27Å; D408-K443 IonicContact OD1-NZ 2.62Å; D408-K443 PolarHBondContact OD1-NZ 3.38Å; D408-K443 IonicContact OD2-NZ 2.6Å; D408-K443 PolarHBondContact OD2-NZ 2.94Å; G439-K443 PolarHBondContact O-N 3.19Å; G440-K443 PolarHBondContact O-N 2.81Å; K443-V445 VanDerWaalsContact C-N 3.31Å; K443-V445 PolarHBondContact O-N 3.49Å; K443-K446 WeakPolarHBondContact O-CB 3.48Å; K443-K446 PolarHBondContact O-N 3.11Å; K443-K446 VanDerWaalsContact O-N 3.12Å; K443-L447 PolarHBondContact O-N 3.01Å
444	L	98	Very high	87.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-34.5	178.3	-68.2	168.2	0	0	0	112.9	L407 S419 I422 V435 G440 L447 A474 L475 L478	L407-L444 HydrophobicContact CD1-CD2 3.84Å; L407-L444 HydrophobicContact CD1-CG 3.95Å; L407-L444 HydrophobicContact CD2-CD2 4.4Å; S419-L444 WeakPolarHBondContact OG-CD2 3.47Å; I422-L444 HydrophobicContact CG2-CD1 4.42Å; V435-L444 HydrophobicContact CG1-CD1 4.36Å; G440-L444 WeakPolarHBondContact O-CB 3.36Å; G440-L444 VanDerWaalsContact O-CG 3.23Å; G440-L444 WeakPolarHBondContact O-CG 3.28Å; G440-L444 PolarHBondContact O-N 3.28Å; L444-L447 HydrophobicContact CD2-CD1 4.4Å; L444-L447 PolarHBondContact O-N 2.89Å; L444-A474 HydrophobicContact CD1-CB 3.7Å; L444-A474 HydrophobicContact CD2-CB 3.77Å; L444-A474 HydrophobicContact CG-CB 4.34Å; L444-L475 HydrophobicContact CB-CD1 4.38Å; L444-L475 HydrophobicContact CB-CD2 3.85Å; L444-L475 HydrophobicContact CB-CG 3.96Å; L444-L475 HydrophobicContact CD1-CD2 4.46Å; L444-L478 HydrophobicContact CD1-CD1 3.41Å; L444-L478 VanDerWaalsContact CD1-CD1 3.41Å
445	V	97	Very high	84.9	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-39.2	173.4	169.4	0	0	0	0	111.6	I441 K443 L447 L448 L475 I488 A491 L496	I441-V445 VanDerWaalsContact O-CG2 3.32Å; I441-V445 WeakPolarHBondContact O-CG2 3.48Å; I441-V445 PolarHBondContact O-N 2.8Å; K443-V445 VanDerWaalsContact C-N 3.31Å; K443-V445 PolarHBondContact O-N 3.49Å; V445-L447 VanDerWaalsContact C-N 3.26Å; V445-L447 PolarHBondContact O-N 3.22Å; V445-L448 VanDerWaalsContact O-CB 3.25Å; V445-L448 WeakPolarHBondContact O-CB 3.31Å; V445-L448 PolarHBondContact O-N 3.48Å; V445-L475 HydrophobicContact CG2-CD1 3.91Å; V445-L475 HydrophobicContact CG2-CD2 3.96Å; V445-I488 HydrophobicContact CG2-CG2 4.36Å; V445-A491 HydrophobicContact CB-CB 4.13Å; V445-A491 HydrophobicContact CG1-CB 4.23Å; V445-A491 WeakPolarHBondContact CG1-O 3.18Å; V445-A491 HydrophobicContact CG2-CB 4.06Å; V445-L496 HydrophobicContact CG1-CD1 3.77Å
446	K	94.7	Very high	83.1	Confident	125 Å²	125	59 Å²	59	54%	0.543	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-30.7	173.9	-70.1	174.9	179.3	-172	0	113.2	S442 K443 L448 E449	S442-K446 WeakPolarHBondContact O-CG 3.29Å; S442-K446 PolarHBondContact O-N 2.93Å; K443-K446 WeakPolarHBondContact O-CB 3.48Å; K443-K446 PolarHBondContact O-N 3.11Å; K443-K446 VanDerWaalsContact O-N 3.12Å; K446-L448 PolarHBondContact O-N 3.03Å; K446-E449 VanDerWaalsContact O-CB 3.25Å; K446-E449 WeakPolarHBondContact O-CB 3.49Å; K446-E449 PolarHBondContact O-N 2.9Å
447	L	93.8	Very high	81.3	Confident	9 Å²	9	59.4 Å²	59.4	5%	0.047	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17.8	174.4	-61	-176.2	0	0	0	113.1	L407 Q415 S419 K443 L444 V445 E449 V467	L407-L447 HydrophobicContact CD2-CD1 4.2Å; Q415-L447 HydrophobicContact CB-CD1 4.13Å; Q415-L447 HydrophobicContact CB-CD2 4.18Å; Q415-L447 HydrophobicContact CG-CD2 4.37Å; S419-L447 WeakPolarHBondContact OG-CD1 2.98Å; K443-L447 PolarHBondContact O-N 3.01Å; L444-L447 HydrophobicContact CD2-CD1 4.4Å; L444-L447 PolarHBondContact O-N 2.89Å; V445-L447 VanDerWaalsContact C-N 3.26Å; V445-L447 PolarHBondContact O-N 3.22Å; L447-E449 VanDerWaalsContact C-N 3.31Å; L447-V467 HydrophobicContact CB-CG1 3.85Å; L447-V467 HydrophobicContact CD1-CG1 4.26Å; L447-V467 HydrophobicContact CD2-CG1 3.89Å; L447-V467 HydrophobicContact CG-CG1 4.19Å
448	L	92.6	Very high	79.7	Confident	1 Å²	1	63 Å²	63	1%	0.005	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-76.6	-19.1	170.9	-51.6	-173.8	0	0	0	112.6	V445 K446 C450 A468 A472 L475 L496 L497 L500	V445-L448 VanDerWaalsContact O-CB 3.25Å; V445-L448 WeakPolarHBondContact O-CB 3.31Å; V445-L448 PolarHBondContact O-N 3.48Å; K446-L448 PolarHBondContact O-N 3.03Å; L448-C450 PolarHBondContact O-N 3.24Å; L448-A468 WeakPolarHBondContact CD2-O 3.01Å; L448-A472 HydrophobicContact CD2-CB 4.09Å; L448-L475 HydrophobicContact CD1-CD1 3.74Å; L448-L475 HydrophobicContact CD2-CD1 4.35Å; L448-L475 HydrophobicContact CG-CD1 4.15Å; L448-L496 HydrophobicContact CB-CB 4.12Å; L448-L496 HydrophobicContact CB-CD1 4.33Å; L448-L496 HydrophobicContact CD1-CB 4.17Å; L448-L497 HydrophobicContact CD1-CD2 4.17Å; L448-L497 HydrophobicContact CD1-CG 4.33Å; L448-L500 HydrophobicContact CB-CD1 3.84Å; L448-L500 HydrophobicContact CD1-CD1 4.2Å; L448-L500 HydrophobicContact CD2-CD1 3.8Å; L448-L500 HydrophobicContact CG-CD1 4.15Å
449	E	84.8	Confident	78.1	Confident	103 Å²	103	67.2 Å²	67.2	48%	0.481	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-76.5	-4.6	179.9	-56.3	174.5	170.3	0	0	112.5	K446 L447 F451 P452 L496	K446-E449 VanDerWaalsContact O-CB 3.25Å; K446-E449 WeakPolarHBondContact O-CB 3.49Å; K446-E449 PolarHBondContact O-N 2.9Å; L447-E449 VanDerWaalsContact C-N 3.31Å; E449-F451 VanDerWaalsContact C-N 3.3Å; E449-F451 PolarHBondContact O-N 2.82Å; E449-P452 WeakPolarHBondContact O-CD 3.39Å; E449-L496 HydrophobicContact CG-CD1 3.71Å; E449-L496 HydrophobicContact CG-CD2 4.08Å
450	C	67.9	Low	76.9	Confident	46 Å²	46	69 Å²	69	31%	0.311	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-76.9	-7.4	-179.8	-61.5	0	0	0	0	114.8	L448 N464	L448-C450 PolarHBondContact O-N 3.24Å; C450-N464 HydrophobicContact CB-CB 4.43Å; C450-N464 PolarHBondContact O-ND2 2.78Å
451	F	65.4	Low	76	Confident	39 Å²	39	72.5 Å²	72.5	17%	0.171	39%	0.39	C	S	.	.	S	Bend	trans	-94.2	-14.6	-172.3	-158.7	-116.9	0	0	0	119.2	E449 Y453 L465 F499 L500 Y505	E449-F451 VanDerWaalsContact C-N 3.3Å; E449-F451 PolarHBondContact O-N 2.82Å; F451-Y453 PolarHBondContact O-N 2.96Å; F451-L465 HydrophobicContact CD2-CD1 4.41Å; F451-L465 HydrophobicContact CE2-CB 4.3Å; F451-L465 HydrophobicContact CE2-CD1 3.71Å; F451-L465 HydrophobicContact CZ-CD1 4.19Å; F451-F499 HydrophobicContact CB-CE1 4.42Å; F451-F499 HydrophobicContact CD1-CD1 4.4Å; F451-F499 AromaticContact CD1-CE1 3.79Å; F451-F499 HydrophobicContact CD1-CE1 3.79Å; F451-L500 HydrophobicContact CB-CD2 3.89Å; F451-L500 HydrophobicContact CD1-CD2 3.48Å; F451-L500 VanDerWaalsContact CD1-CD2 3.48Å; F451-L500 HydrophobicContact CE1-CD2 4.15Å; F451-L500 HydrophobicContact CG-CD2 3.75Å; F451-Y505 HydrophobicContact CZ-CD2 4.49Å
452	P	52.6	Low	75.3	Confident	65 Å²	65	79.4 Å²	79.4	42%	0.422	42%	0.423	S	S	.	.			trans	-92.8	16.3	-160.4	37.3	-38	0	0	0	117.6	E449 F499	E449-P452 WeakPolarHBondContact O-CD 3.39Å; P452-F499 HydrophobicContact CB-CE1 3.81Å; P452-F499 HydrophobicContact CB-CZ 3.96Å
453	Y	53.7	Low	74.7	Confident	185 Å²	185	80 Å²	80	73%	0.725	42%	0.42	S	S	*	.			trans	-130.3	115.7	-177.2	-77.7	-77.4	0	0	0	115.3	F451 A455	F451-Y453 PolarHBondContact O-N 2.96Å; Y453-A455 PolarHBondContact O-N 2.88Å
454	S	50.4	Low	74.2	Confident	134 Å²	134	79.1 Å²	79.1	94%	0.937	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	43.1	178.1	65.4	0	0	0	0	113.8
455	A	53.4	Low	73.8	Confident	91 Å²	91	80.5 Å²	80.5	75%	0.752	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.7	21.5	-177	0	0	0	0	0	112.2	Y453	Y453-A455 PolarHBondContact O-N 2.88Å
456	T	58.9	Low	73.5	Confident	57 Å²	57	83.4 Å²	83.4	35%	0.35	44%	0.438	S	S	.	.	S	Bend	trans	-102.2	148.2	173.9	43.7	0	0	0	0	110.1
457	P	61.7	Low	73.5	Confident	81 Å²	81	77.5 Å²	77.5	53%	0.526	41%	0.412	S	S	.	.			trans	-56.7	154.7	168.1	-23.4	33.2	0	0	0	112.1	E459 D460 M461	P457-E459 PolarHBondContact O-N 3.08Å; P457-D460 HydrophobicContact CB-CB 4.27Å; P457-D460 HydrophobicContact CG-CB 4.44Å; P457-D460 WeakPolarHBondContact O-CA 3.18Å; P457-D460 WeakPolarHBondContact O-CB 3.45Å; P457-D460 PolarHBondContact O-N 3Å; P457-M461 PolarHBondContact O-N 3.05Å
458	E	63.8	Low	73.5	Confident	178 Å²	178	77 Å²	77	83%	0.832	41%	0.41	S	S	*	.	H	α-helix	trans	-60.8	-42.2	-175.2	-61	-176.1	159.7	0	0	112.6	D460 M461 E462	E458-D460 VanDerWaalsContact C-N 3.3Å; E458-D460 PolarHBondContact O-N 3.27Å; E458-M461 WeakPolarHBondContact O-CB 3.45Å; E458-M461 PolarHBondContact O-N 3.32Å; E458-M461 VanDerWaalsContact O-N 3.11Å; E458-E462 PolarHBondContact O-N 2.93Å
459	E	62.1	Low	73.6	Confident	169 Å²	169	80.2 Å²	80.2	79%	0.79	42%	0.422	S	S	*	.	H	α-helix	trans	-60.6	-37.9	173.8	-58.8	-179	164.8	0	0	112.4	P457 M461 M463	P457-E459 PolarHBondContact O-N 3.08Å; E459-M461 VanDerWaalsContact C-N 3.31Å; E459-M463 PolarHBondContact O-N 2.95Å
460	D	72.8	Confident	74.2	Confident	70 Å²	70	75.3 Å²	75.3	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-70.3	-30.8	177.1	-109.8	-27.1	0	0	0	111.7	K412 P457 E458 N464	K412-D460 PolarHBondContact NZ-O 3.4Å; K412-D460 IonicContact NZ-OD1 2.73Å; K412-D460 PolarHBondContact NZ-OD1 3.02Å; P457-D460 HydrophobicContact CB-CB 4.27Å; P457-D460 HydrophobicContact CG-CB 4.44Å; P457-D460 WeakPolarHBondContact O-CA 3.18Å; P457-D460 WeakPolarHBondContact O-CB 3.45Å; P457-D460 PolarHBondContact O-N 3Å; E458-D460 VanDerWaalsContact C-N 3.3Å; E458-D460 PolarHBondContact O-N 3.27Å; D460-N464 VanDerWaalsContact O-CB 3.29Å; D460-N464 WeakPolarHBondContact O-CB 3.3Å; D460-N464 PolarHBondContact O-N 3.27Å; D460-N464 PolarHBondContact O-ND2 3.32Å; D460-N464 PolarHBondContact O-OD1 2.75Å
461	M	78.9	Confident	75.6	Confident	75 Å²	75	73.1 Å²	73.1	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-75.1	-43	178	-177.4	173.4	172.6	0	0	112.3	P457 E458 E459 N464 L465 Y505	P457-M461 PolarHBondContact O-N 3.05Å; E458-M461 WeakPolarHBondContact O-CB 3.45Å; E458-M461 PolarHBondContact O-N 3.32Å; E458-M461 VanDerWaalsContact O-N 3.11Å; E459-M461 VanDerWaalsContact C-N 3.31Å; M461-N464 PolarHBondContact O-N 3.19Å; M461-L465 WeakPolarHBondContact O-CB 3.34Å; M461-L465 PolarHBondContact O-N 2.97Å; M461-Y505 HydrophobicContact CE-CE2 4.46Å
462	E	83.4	Confident	77.2	Confident	149 Å²	149	71.3 Å²	71.3	70%	0.696	38%	0.376	S	S	*	.	H	α-helix	trans	-59.7	-48	174	-176.6	177.4	-164.4	0	0	110.7	E458 N464 L465 E466	E458-E462 PolarHBondContact O-N 2.93Å; E462-N464 VanDerWaalsContact C-N 3.33Å; E462-N464 PolarHBondContact O-N 2.71Å; E462-L465 WeakPolarHBondContact O-CB 3.41Å; E462-L465 PolarHBondContact O-N 3.1Å; E462-E466 PolarHBondContact O-N 2.71Å
463	M	86.3	Confident	79.3	Confident	68 Å²	68	69.3 Å²	69.3	34%	0.335	36%	0.364	S	S	.	.	H	α-helix	trans	-67.9	-30.6	178.4	-174.7	61.3	63.9	0	0	112.7	K412 E413 E459 V467	K412-M463 HydrophobicContact CB-CG 3.41Å; K412-M463 VanDerWaalsContact CB-CG 3.41Å; K412-M463 HydrophobicContact CB-SD 3.91Å; K412-M463 HydrophobicContact CD-CB 4.07Å; K412-M463 HydrophobicContact CD-CG 3.46Å; K412-M463 VanDerWaalsContact CD-CG 3.46Å; K412-M463 HydrophobicContact CG-CG 4.08Å; E413-M463 HydrophobicContact CB-SD 4.36Å; E459-M463 PolarHBondContact O-N 2.95Å; M463-V467 WeakPolarHBondContact O-CG2 3.01Å; M463-V467 PolarHBondContact O-N 3.24Å; M463-V467 VanDerWaalsContact O-N 3.11Å
464	N	87.2	Confident	81.5	Confident	17 Å²	17	60.5 Å²	60.5	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-67.9	-42	171	-80.5	-16.9	0	0	0	112.1	K412 C450 D460 M461 E462 E466 V467 A468	K412-N464 WeakPolarHBondContact CE-OD1 3.47Å; K412-N464 PolarHBondContact NZ-OD1 3.4Å; C450-N464 HydrophobicContact CB-CB 4.43Å; C450-N464 PolarHBondContact O-ND2 2.78Å; D460-N464 VanDerWaalsContact O-CB 3.29Å; D460-N464 WeakPolarHBondContact O-CB 3.3Å; D460-N464 PolarHBondContact O-N 3.27Å; D460-N464 PolarHBondContact O-ND2 3.32Å; D460-N464 PolarHBondContact O-OD1 2.75Å; M461-N464 PolarHBondContact O-N 3.19Å; E462-N464 VanDerWaalsContact C-N 3.33Å; E462-N464 PolarHBondContact O-N 2.71Å; N464-E466 VanDerWaalsContact C-N 3.35Å; N464-V467 PolarHBondContact O-N 3.23Å; N464-A468 WeakPolarHBondContact O-CB 3.29Å; N464-A468 PolarHBondContact O-N 3.23Å
465	L	88.6	Confident	83.8	Confident	28 Å²	28	54.1 Å²	54.1	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-44.6	175.7	176	67.1	0	0	0	110.5	F451 M461 E462 A468 R469 Y505 M508	F451-L465 HydrophobicContact CD2-CD1 4.41Å; F451-L465 HydrophobicContact CE2-CB 4.3Å; F451-L465 HydrophobicContact CE2-CD1 3.71Å; F451-L465 HydrophobicContact CZ-CD1 4.19Å; M461-L465 WeakPolarHBondContact O-CB 3.34Å; M461-L465 PolarHBondContact O-N 2.97Å; E462-L465 WeakPolarHBondContact O-CB 3.41Å; E462-L465 PolarHBondContact O-N 3.1Å; L465-A468 PolarHBondContact O-N 2.92Å; L465-R469 VanDerWaalsContact O-CB 3.3Å; L465-R469 WeakPolarHBondContact O-CB 3.49Å; L465-R469 PolarHBondContact O-N 3.12Å; L465-Y505 HydrophobicContact CD1-CD2 3.87Å; L465-Y505 HydrophobicContact CD1-CG 4.33Å; L465-Y505 HydrophobicContact CD2-CD1 4.03Å; L465-Y505 HydrophobicContact CD2-CD2 3.65Å; L465-Y505 HydrophobicContact CD2-CE1 4.29Å; L465-Y505 HydrophobicContact CD2-CE2 3.94Å; L465-Y505 HydrophobicContact CD2-CG 3.7Å; L465-Y505 HydrophobicContact CG-CD2 4.44Å; L465-M508 HydrophobicContact CD1-CB 3.8Å; L465-M508 HydrophobicContact CD1-CG 3.81Å; L465-M508 HydrophobicContact CD1-SD 4.04Å
466	E	91.2	Very high	85.9	Confident	61 Å²	61	52.5 Å²	52.5	29%	0.285	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-41.5	179.3	179.2	52.6	-154.9	0	0	112.7	A416 E462 N464 R469 C470	A416-E466 HydrophobicContact CB-CG 4.3Å; E462-E466 PolarHBondContact O-N 2.71Å; N464-E466 VanDerWaalsContact C-N 3.35Å; E466-R469 VanDerWaalsContact CD-NH2 3.34Å; E466-R469 PolarHBondContact O-N 3.27Å; E466-R469 IonicContact OE1-CZ 3.2Å; E466-R469 IonicContact OE1-NE 3.36Å; E466-R469 IonicContact OE1-NH2 3.74Å; E466-R469 PolarHBondContact OE1-NH2 2.72Å; E466-R469 IonicContact OE2-CZ 3.54Å; E466-R469 IonicContact OE2-NE 2.71Å; E466-R469 PolarHBondContact OE2-NE 3.49Å; E466-R469 IonicContact OE2-NH2 3.5Å; E466-R469 PolarHBondContact OE2-NH2 2.86Å; E466-R469 VanDerWaalsContact OE2-NH2 3.16Å; E466-C470 WeakPolarHBondContact O-CB 3.43Å; E466-C470 PolarHBondContact O-N 3.16Å; E466-C470 PolarHBondContact OE1-SG 3.4Å
467	V	93.7	Very high	87.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-46.4	171.6	164.9	0	0	0	0	111.5	K412 A416 L447 M463 N464 G471	K412-V467 HydrophobicContact CB-CG2 3.71Å; K412-V467 HydrophobicContact CG-CG2 4.4Å; K412-V467 WeakPolarHBondContact O-CG2 3.47Å; A416-V467 HydrophobicContact CB-CG2 4.05Å; L447-V467 HydrophobicContact CB-CG1 3.85Å; L447-V467 HydrophobicContact CD1-CG1 4.26Å; L447-V467 HydrophobicContact CD2-CG1 3.89Å; L447-V467 HydrophobicContact CG-CG1 4.19Å; M463-V467 WeakPolarHBondContact O-CG2 3.01Å; M463-V467 PolarHBondContact O-N 3.24Å; M463-V467 VanDerWaalsContact O-N 3.11Å; N464-V467 PolarHBondContact O-N 3.23Å; V467-G471 PolarHBondContact O-N 3.1Å
468	A	94	Very high	89.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-40.1	178.1	0	0	0	0	0	112	L448 N464 L465 G471 A472 M508	L448-A468 WeakPolarHBondContact CD2-O 3.01Å; N464-A468 WeakPolarHBondContact O-CB 3.29Å; N464-A468 PolarHBondContact O-N 3.23Å; L465-A468 PolarHBondContact O-N 2.92Å; A468-G471 PolarHBondContact O-N 2.83Å; A468-A472 WeakPolarHBondContact O-CB 3.33Å; A468-A472 PolarHBondContact O-N 2.64Å; A468-M508 HydrophobicContact CB-CE 4.44Å; A468-M508 HydrophobicContact CB-SD 3.79Å
469	R	95.8	Very high	91.1	Very high	67 Å²	67	37.9 Å²	37.9	25%	0.253	18%	0.181	S	C	.	.	H	α-helix	trans	-61.7	-49.3	177.2	-171.6	-169.7	71.1	81.7	4	111.5	L465 E466 A472 S473 D507 M508 P511	L465-R469 VanDerWaalsContact O-CB 3.3Å; L465-R469 WeakPolarHBondContact O-CB 3.49Å; L465-R469 PolarHBondContact O-N 3.12Å; E466-R469 VanDerWaalsContact CD-NH2 3.34Å; E466-R469 PolarHBondContact O-N 3.27Å; E466-R469 IonicContact OE1-CZ 3.2Å; E466-R469 IonicContact OE1-NE 3.36Å; E466-R469 IonicContact OE1-NH2 3.74Å; E466-R469 PolarHBondContact OE1-NH2 2.72Å; E466-R469 IonicContact OE2-CZ 3.54Å; E466-R469 IonicContact OE2-NE 2.71Å; E466-R469 PolarHBondContact OE2-NE 3.49Å; E466-R469 IonicContact OE2-NH2 3.5Å; E466-R469 PolarHBondContact OE2-NH2 2.86Å; E466-R469 VanDerWaalsContact OE2-NH2 3.16Å; R469-A472 PolarHBondContact O-N 3.09Å; R469-S473 WeakPolarHBondContact O-CB 3.36Å; R469-S473 PolarHBondContact O-N 3.27Å; R469-S473 PolarHBondContact O-OG 3.38Å; R469-D507 WeakPolarHBondContact CG-O 2.78Å; R469-M508 HydrophobicContact CB-SD 4.11Å; R469-M508 PolarHBondContact N-SD 3.43Å; R469-P511 HydrophobicContact CG-CG 4.47Å
470	C	97.1	Very high	92.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-38	177	-80.6	0	0	0	0	111.9	A416 S419 E466 S473 A474	A416-C470 HydrophobicContact CB-CB 4.29Å; A416-C470 WeakPolarHBondContact O-CB 3.28Å; S419-C470 WeakPolarHBondContact CB-O 3.08Å; E466-C470 WeakPolarHBondContact O-CB 3.43Å; E466-C470 PolarHBondContact O-N 3.16Å; E466-C470 PolarHBondContact OE1-SG 3.4Å; C470-S473 PolarHBondContact O-N 2.77Å; C470-A474 PolarHBondContact O-N 3.38Å
471	G	97.4	Very high	93.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58	-49.7	171	0	0	0	0	0	112.7	V467 A468 S473 A474 L475	V467-G471 PolarHBondContact O-N 3.1Å; A468-G471 PolarHBondContact O-N 2.83Å; G471-S473 PolarHBondContact O-N 3.37Å; G471-A474 WeakPolarHBondContact O-CB 3.43Å; G471-A474 PolarHBondContact O-N 3.32Å; G471-L475 VanDerWaalsContact O-CG 3.29Å; G471-L475 WeakPolarHBondContact O-CG 3.47Å; G471-L475 PolarHBondContact O-N 3.28Å
472	A	97.7	Very high	94.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-38.6	175.9	0	0	0	0	0	112.4	L448 A468 R469 A474 L475 W476 M508 P511 V512	L448-A472 HydrophobicContact CD2-CB 4.09Å; A468-A472 WeakPolarHBondContact O-CB 3.33Å; A468-A472 PolarHBondContact O-N 2.64Å; R469-A472 PolarHBondContact O-N 3.09Å; A472-A474 VanDerWaalsContact C-N 3.34Å; A472-A474 PolarHBondContact O-N 3.46Å; A472-L475 CarbonylContact O-C 3.5Å; A472-L475 PolarHBondContact O-N 3.35Å; A472-W476 PolarHBondContact O-N 2.86Å; A472-M508 HydrophobicContact CB-CE 3.57Å; A472-P511 HydrophobicContact CB-CB 4Å; A472-P511 HydrophobicContact CB-CG 4.05Å; A472-V512 HydrophobicContact CB-CG2 4.15Å
473	S	97.9	Very high	95.1	Very high	24 Å²	24	28.6 Å²	28.6	17%	0.168	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-37.4	178.4	-59	0	0	0	0	112.3	A423 R469 C470 G471 S477 P511	A423-S473 WeakPolarHBondContact CB-O 3.17Å; R469-S473 WeakPolarHBondContact O-CB 3.36Å; R469-S473 PolarHBondContact O-N 3.27Å; R469-S473 PolarHBondContact O-OG 3.38Å; C470-S473 PolarHBondContact O-N 2.77Å; G471-S473 PolarHBondContact O-N 3.37Å; S473-S477 PolarHBondContact O-N 3.23Å; S473-S477 PolarHBondContact O-OG 3.01Å; S473-P511 WeakPolarHBondContact OG-CB 3.46Å
474	A	98.5	Very high	95.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.1	-47.3	170.4	0	0	0	0	0	111.2	S419 I422 A423 L444 C470 G471 A472 W476 S477 L478	S419-A474 WeakPolarHBondContact O-CB 3.35Å; I422-A474 HydrophobicContact CG2-CB 4.13Å; A423-A474 HydrophobicContact CB-CB 4.26Å; L444-A474 HydrophobicContact CD1-CB 3.7Å; L444-A474 HydrophobicContact CD2-CB 3.77Å; L444-A474 HydrophobicContact CG-CB 4.34Å; C470-A474 PolarHBondContact O-N 3.38Å; G471-A474 WeakPolarHBondContact O-CB 3.43Å; G471-A474 PolarHBondContact O-N 3.32Å; A472-A474 VanDerWaalsContact C-N 3.34Å; A472-A474 PolarHBondContact O-N 3.46Å; A474-W476 VanDerWaalsContact C-N 3.33Å; A474-W476 PolarHBondContact O-N 3.44Å; A474-S477 PolarHBondContact O-N 3.45Å; A474-L478 WeakPolarHBondContact O-CB 3.42Å; A474-L478 WeakPolarHBondContact O-CD1 3.45Å; A474-L478 WeakPolarHBondContact O-CG 3.45Å; A474-L478 PolarHBondContact O-N 3.22Å
475	L	98.4	Very high	96.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-38.6	178.4	-69.1	169.5	0	0	0	112.3	I441 L444 V445 L448 G471 A472 L478 S479 I488 T515	I441-L475 HydrophobicContact CG2-CD2 4.27Å; L444-L475 HydrophobicContact CB-CD1 4.38Å; L444-L475 HydrophobicContact CB-CD2 3.85Å; L444-L475 HydrophobicContact CB-CG 3.96Å; L444-L475 HydrophobicContact CD1-CD2 4.46Å; V445-L475 HydrophobicContact CG2-CD1 3.91Å; V445-L475 HydrophobicContact CG2-CD2 3.96Å; L448-L475 HydrophobicContact CD1-CD1 3.74Å; L448-L475 HydrophobicContact CD2-CD1 4.35Å; L448-L475 HydrophobicContact CG-CD1 4.15Å; G471-L475 VanDerWaalsContact O-CG 3.29Å; G471-L475 WeakPolarHBondContact O-CG 3.47Å; G471-L475 PolarHBondContact O-N 3.28Å; A472-L475 CarbonylContact O-C 3.5Å; A472-L475 PolarHBondContact O-N 3.35Å; L475-L478 PolarHBondContact O-N 3.5Å; L475-S479 WeakPolarHBondContact O-CA 3.49Å; L475-S479 WeakPolarHBondContact O-CB 3.26Å; L475-S479 PolarHBondContact O-N 2.98Å; L475-S479 PolarHBondContact O-OG 3.44Å; L475-I488 HydrophobicContact CD2-CD1 4.21Å; L475-I488 HydrophobicContact CD2-CG1 4.02Å; L475-T515 HydrophobicContact CB-CG2 4.36Å
476	W	98.3	Very high	96.4	Very high	56 Å²	56	26.4 Å²	26.4	21%	0.212	12%	0.123	C	C	.	.	H	α-helix	trans	-59.8	-52.9	173.5	-177.9	15.9	0	0	0	111	A472 A474 L478 S479 I510 P511 G514 T515 L552	A472-W476 PolarHBondContact O-N 2.86Å; A474-W476 VanDerWaalsContact C-N 3.33Å; A474-W476 PolarHBondContact O-N 3.44Å; W476-L478 VanDerWaalsContact C-N 3.27Å; W476-L478 PolarHBondContact O-N 3Å; W476-S479 PolarHBondContact O-N 3.3Å; W476-S479 VanDerWaalsContact O-N 3.11Å; W476-S479 PolarHBondContact O-OG 3.37Å; W476-I510 HydrophobicContact CZ3-CG2 4.13Å; W476-P511 HydrophobicContact CE3-CB 4.13Å; W476-G514 VanDerWaalsContact CD1-O 3.26Å; W476-G514 VanDerWaalsContact CE2-CA 3.48Å; W476-G514 PolarHBondContact NE1-O 3.45Å; W476-T515 VanDerWaalsContact CA-OG1 3.23Å; W476-T515 WeakPolarHBondContact CA-OG1 3.5Å; W476-T515 WeakPolarHBondContact CB-OG1 3.44Å; W476-T515 PolarHBondContact N-OG1 3.05Å; W476-T515 VanDerWaalsContact N-OG1 3.14Å; W476-L552 HydrophobicContact CH2-CD1 3.82Å; W476-L552 HydrophobicContact CH2-CD2 4.16Å; W476-L552 HydrophobicContact CZ2-CD1 4.22Å; W476-L552 HydrophobicContact CZ2-CD2 3.79Å; W476-L552 HydrophobicContact CZ3-CD1 4.49Å
477	S	97.9	Very high	96.6	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.063	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-35.7	179.4	-61.1	0	0	0	0	112.5	A423 K427 S473 A474	A423-S477 WeakPolarHBondContact O-CB 3.2Å; A423-S477 PolarHBondContact O-OG 3.43Å; A423-S477 VanDerWaalsContact O-OG 3.07Å; K427-S477 PolarHBondContact NZ-OG 3.26Å; S473-S477 PolarHBondContact O-N 3.23Å; S473-S477 PolarHBondContact O-OG 3.01Å; A474-S477 PolarHBondContact O-N 3.45Å
478	L	98.2	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73.5	-35.6	175.5	-68.9	166	0	0	0	112.9	I422 A426 V435 I441 L444 A474 L475 W476 K480 S481 N484	I422-L478 HydrophobicContact CG2-CD1 4.4Å; A426-L478 HydrophobicContact CB-CD2 3.83Å; A426-L478 HydrophobicContact CB-CG 4.26Å; V435-L478 HydrophobicContact CB-CD1 4.42Å; V435-L478 HydrophobicContact CB-CD2 3.64Å; V435-L478 HydrophobicContact CG1-CD1 3.69Å; V435-L478 HydrophobicContact CG1-CD2 3.86Å; V435-L478 HydrophobicContact CG1-CG 4.44Å; V435-L478 HydrophobicContact CG2-CD2 3.99Å; I441-L478 HydrophobicContact CG1-CD1 4.05Å; L444-L478 HydrophobicContact CD1-CD1 3.41Å; L444-L478 VanDerWaalsContact CD1-CD1 3.41Å; A474-L478 WeakPolarHBondContact O-CB 3.42Å; A474-L478 WeakPolarHBondContact O-CD1 3.45Å; A474-L478 WeakPolarHBondContact O-CG 3.45Å; A474-L478 PolarHBondContact O-N 3.22Å; L475-L478 PolarHBondContact O-N 3.5Å; W476-L478 VanDerWaalsContact C-N 3.27Å; W476-L478 PolarHBondContact O-N 3Å; L478-K480 PolarHBondContact O-N 3.01Å; L478-S481 PolarHBondContact O-N 3.21Å; L478-N484 WeakPolarHBondContact O-CB 3.07Å; L478-N484 PolarHBondContact O-ND2 3.3Å
479	S	97.3	Very high	96.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-22.3	-172.6	70.8	0	0	0	0	112.9	L475 W476 S481 K485 E518	L475-S479 WeakPolarHBondContact O-CA 3.49Å; L475-S479 WeakPolarHBondContact O-CB 3.26Å; L475-S479 PolarHBondContact O-N 2.98Å; L475-S479 PolarHBondContact O-OG 3.44Å; W476-S479 PolarHBondContact O-N 3.3Å; W476-S479 VanDerWaalsContact O-N 3.11Å; W476-S479 PolarHBondContact O-OG 3.37Å; S479-S481 PolarHBondContact O-N 2.87Å; S479-K485 WeakPolarHBondContact O-CE 3.5Å; S479-K485 WeakPolarHBondContact O-CG 3.28Å; S479-E518 VanDerWaalsContact OG-CB 3.23Å; S479-E518 WeakPolarHBondContact OG-CB 3.32Å
480	K	95.1	Very high	96.8	Very high	111 Å²	111	34 Å²	34	48%	0.483	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-34.7	177.2	-60	-150.3	172.1	-161.7	0	113.5	L478 E518	L478-K480 PolarHBondContact O-N 3.01Å; K480-E518 WeakPolarHBondContact CD-OE1 3.36Å; K480-E518 WeakPolarHBondContact CE-OE1 3.3Å; K480-E518 HydrophobicContact CG-CG 4.26Å; K480-E518 WeakPolarHBondContact CG-OE1 3.4Å; K480-E518 IonicContact NZ-OE1 3.05Å
481	S	95.8	Very high	96.7	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.063	17%	0.17	C	C	.	.	S	Bend	trans	-79.4	130.9	177.1	-177.7	0	0	0	0	113	L478 S479 K483 N484 K485	L478-S481 PolarHBondContact O-N 3.21Å; S479-S481 PolarHBondContact O-N 2.87Å; S481-K483 VanDerWaalsContact C-N 3.26Å; S481-K483 PolarHBondContact O-N 2.82Å; S481-N484 WeakPolarHBondContact O-CA 3.4Å; S481-N484 WeakPolarHBondContact O-CB 3.43Å; S481-N484 PolarHBondContact O-N 3.32Å; S481-K485 PolarHBondContact O-N 3.49Å; S481-K485 VanDerWaalsContact O-N 3.17Å
482	S	94.6	Very high	96.5	Very high	31 Å²	31	37 Å²	37	22%	0.217	19%	0.186	C	C	.	.	H	α-helix	trans	-46	-43.9	173.6	55.5	0	0	0	0	114.3	E292 N484	E292-S482 VanDerWaalsContact OE1-CB 3.28Å; E292-S482 WeakPolarHBondContact OE1-CB 3.39Å; E292-S482 PolarHBondContact OE1-N 3.37Å; E292-S482 PolarHBondContact OE1-OG 3.39Å; S482-N484 VanDerWaalsContact C-N 3.32Å; S482-N484 PolarHBondContact O-N 2.85Å
483	K	96.1	Very high	96.4	Very high	118 Å²	118	37 Å²	37	51%	0.513	19%	0.186	S	C	.	.	H	α-helix	trans	-77	-15.3	-179.8	-62.6	-173.7	179.6	-176.2	0	113.6	R436 S481	R436-K483 WeakPolarHBondContact CD-O 3.48Å; R436-K483 PolarHBondContact NE-O 3.47Å; S481-K483 VanDerWaalsContact C-N 3.26Å; S481-K483 PolarHBondContact O-N 2.82Å
484	N	97.4	Very high	96.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-87.6	-37.8	176.7	-73.4	16	0	0	0	111.6	R432 R436 I441 L478 S481 S482 E486 A487 I488	R432-N484 PolarHBondContact O-ND2 2.86Å; R432-N484 PolarHBondContact O-OD1 3.42Å; R436-N484 VanDerWaalsContact CD-OD1 3.22Å; R436-N484 WeakPolarHBondContact CD-OD1 3.36Å; R436-N484 PolarHBondContact NE-OD1 3.01Å; I441-N484 HydrophobicContact CD1-CB 3.83Å; L478-N484 WeakPolarHBondContact O-CB 3.07Å; L478-N484 PolarHBondContact O-ND2 3.3Å; S481-N484 WeakPolarHBondContact O-CA 3.4Å; S481-N484 WeakPolarHBondContact O-CB 3.43Å; S481-N484 PolarHBondContact O-N 3.32Å; S482-N484 VanDerWaalsContact C-N 3.32Å; S482-N484 PolarHBondContact O-N 2.85Å; N484-E486 PolarHBondContact O-N 3.44Å; N484-A487 WeakPolarHBondContact O-CA 3.41Å; N484-A487 WeakPolarHBondContact O-CB 3.31Å; N484-A487 PolarHBondContact O-N 3.06Å; N484-I488 WeakPolarHBondContact O-CG1 3.21Å; N484-I488 PolarHBondContact O-N 3.37Å
485	K	96.1	Very high	96	Very high	12 Å²	12	39.2 Å²	39.2	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-47.8	-49.1	171	-60.2	173.1	-169.6	-175.3	0	110.6	S479 S481 A487 I488 R489 E518 S521 Q522 Y525	S479-K485 WeakPolarHBondContact O-CE 3.5Å; S479-K485 WeakPolarHBondContact O-CG 3.28Å; S481-K485 PolarHBondContact O-N 3.49Å; S481-K485 VanDerWaalsContact O-N 3.17Å; K485-A487 VanDerWaalsContact C-N 3.33Å; K485-A487 PolarHBondContact O-N 3.16Å; K485-I488 WeakPolarHBondContact O-CB 3.49Å; K485-I488 PolarHBondContact O-N 2.88Å; K485-I488 VanDerWaalsContact O-N 3.12Å; K485-R489 PolarHBondContact O-N 2.88Å; K485-E518 VanDerWaalsContact CE-O 3.25Å; K485-E518 WeakPolarHBondContact CE-O 3.44Å; K485-E518 PolarHBondContact NZ-O 2.8Å; K485-S521 PolarHBondContact NZ-OG 3.05Å; K485-Q522 HydrophobicContact CD-CG 4.46Å; K485-Y525 HydrophobicContact CB-CE1 4.14Å; K485-Y525 HydrophobicContact CB-CE2 4.39Å; K485-Y525 PolarHBondContact O-OH 2.92Å
486	E	94.9	Very high	95.8	Very high	55 Å²	55	40.9 Å²	40.9	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-68	-25.4	179	-172.7	58.2	-166.9	0	0	114.8	N484 R489 K490 Y525	N484-E486 PolarHBondContact O-N 3.44Å; E486-R489 IonicContact OE1-CZ 3.42Å; E486-R489 IonicContact OE1-NE 2.92Å; E486-R489 IonicContact OE1-NH2 2.71Å; E486-R489 PolarHBondContact OE1-NH2 3.09Å; E486-R489 IonicContact OE2-CZ 2.73Å; E486-R489 IonicContact OE2-NE 3.77Å; E486-R489 PolarHBondContact OE2-NE 3.01Å; E486-R489 IonicContact OE2-NH2 3.3Å; E486-K490 HydrophobicContact CG-CD 4.48Å; E486-K490 WeakPolarHBondContact O-CB 3.42Å; E486-K490 VanDerWaalsContact O-CG 3.25Å; E486-K490 WeakPolarHBondContact O-CG 3.33Å; E486-K490 PolarHBondContact O-N 3.49Å; E486-K490 VanDerWaalsContact O-N 3.15Å; E486-K490 WeakPolarHBondContact OE1-CE 3.46Å; E486-Y525 WeakPolarHBondContact CA-OH 3.32Å; E486-Y525 PolarHBondContact N-OH 3.3Å; E486-Y525 VanDerWaalsContact N-OH 3.13Å; E486-Y525 PolarHBondContact OE2-OH 3.27Å
487	A	96.8	Very high	95.7	Very high	24 Å²	24	38.2 Å²	38.2	20%	0.198	20%	0.198	C	C	.	.	H	α-helix	trans	-74.6	-38.7	170	0	0	0	0	0	111.8	R436 I441 N484 K485 K490 A491	R436-A487 HydrophobicContact CG-CB 4.1Å; I441-A487 HydrophobicContact CB-CB 4.3Å; I441-A487 HydrophobicContact CD1-CB 3.74Å; I441-A487 HydrophobicContact CG2-CB 3.91Å; N484-A487 WeakPolarHBondContact O-CA 3.41Å; N484-A487 WeakPolarHBondContact O-CB 3.31Å; N484-A487 PolarHBondContact O-N 3.06Å; K485-A487 VanDerWaalsContact C-N 3.33Å; K485-A487 PolarHBondContact O-N 3.16Å; A487-K490 PolarHBondContact O-N 2.93Å; A487-A491 VanDerWaalsContact O-CB 3.28Å; A487-A491 WeakPolarHBondContact O-CB 3.43Å; A487-A491 PolarHBondContact O-N 2.79Å
488	I	97.3	Very high	95.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-45.4	176.2	-60.6	171.4	0	0	0	110	I441 V445 L475 N484 K485 A491 G492 G493 T515	I441-I488 HydrophobicContact CG2-CB 4.38Å; I441-I488 HydrophobicContact CG2-CG1 3.67Å; V445-I488 HydrophobicContact CG2-CG2 4.36Å; L475-I488 HydrophobicContact CD2-CD1 4.21Å; L475-I488 HydrophobicContact CD2-CG1 4.02Å; N484-I488 WeakPolarHBondContact O-CG1 3.21Å; N484-I488 PolarHBondContact O-N 3.37Å; K485-I488 WeakPolarHBondContact O-CB 3.49Å; K485-I488 PolarHBondContact O-N 2.88Å; K485-I488 VanDerWaalsContact O-N 3.12Å; I488-A491 PolarHBondContact O-N 3.36Å; I488-G492 PolarHBondContact O-N 2.78Å; I488-G493 PolarHBondContact O-N 2.9Å; I488-T515 HydrophobicContact CD1-CG2 4.41Å
489	R	94.5	Very high	95.3	Very high	108 Å²	108	41.7 Å²	41.7	41%	0.408	21%	0.213	S	C	.	.	H	α-helix	trans	-61.9	-46.9	176.7	-164.5	-173.3	70.5	80.4	1.4	112.5	K485 E486 A491 G492 I494 Y525	K485-R489 PolarHBondContact O-N 2.88Å; E486-R489 IonicContact OE1-CZ 3.42Å; E486-R489 IonicContact OE1-NE 2.92Å; E486-R489 IonicContact OE1-NH2 2.71Å; E486-R489 PolarHBondContact OE1-NH2 3.09Å; E486-R489 IonicContact OE2-CZ 2.73Å; E486-R489 IonicContact OE2-NE 3.77Å; E486-R489 PolarHBondContact OE2-NE 3.01Å; E486-R489 IonicContact OE2-NH2 3.3Å; R489-A491 VanDerWaalsContact C-N 3.25Å; R489-A491 PolarHBondContact O-N 3.1Å; R489-G492 PolarHBondContact O-N 2.98Å; R489-I494 HydrophobicContact CB-CG1 4.5Å; R489-I494 HydrophobicContact CG-CG1 4.34Å; R489-Y525 HydrophobicContact CB-CE1 3.77Å; R489-Y525 VanDerWaalsContact CB-OH 3.29Å; R489-Y525 WeakPolarHBondContact CB-OH 3.45Å; R489-Y525 HydrophobicContact CG-CE1 4.19Å
490	K	94.6	Very high	95.1	Very high	157 Å²	157	41.7 Å²	41.7	68%	0.683	21%	0.213	S	C	*	.	H	α-helix	trans	-66.5	-25.5	177.8	-75.2	-178	-178.8	-169.4	0	113.5	E486 A487 G492	E486-K490 HydrophobicContact CG-CD 4.48Å; E486-K490 WeakPolarHBondContact O-CB 3.42Å; E486-K490 VanDerWaalsContact O-CG 3.25Å; E486-K490 WeakPolarHBondContact O-CG 3.33Å; E486-K490 PolarHBondContact O-N 3.49Å; E486-K490 VanDerWaalsContact O-N 3.15Å; E486-K490 WeakPolarHBondContact OE1-CE 3.46Å; A487-K490 PolarHBondContact O-N 2.93Å; K490-G492 VanDerWaalsContact C-N 3.29Å
491	A	95.8	Very high	95.1	Very high	30 Å²	30	36.4 Å²	36.4	25%	0.248	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.1	175	0	0	0	0	0	113.9	V445 A487 I488 R489	V445-A491 HydrophobicContact CB-CB 4.13Å; V445-A491 HydrophobicContact CG1-CB 4.23Å; V445-A491 WeakPolarHBondContact CG1-O 3.18Å; V445-A491 HydrophobicContact CG2-CB 4.06Å; A487-A491 VanDerWaalsContact O-CB 3.28Å; A487-A491 WeakPolarHBondContact O-CB 3.43Å; A487-A491 PolarHBondContact O-N 2.79Å; I488-A491 PolarHBondContact O-N 3.36Å; R489-A491 VanDerWaalsContact C-N 3.25Å; R489-A491 PolarHBondContact O-N 3.1Å
492	G	93.9	Very high	94.9	Very high	34 Å²	34	42.4 Å²	42.4	35%	0.351	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	12.4	-178.3	0	0	0	0	0	114.8	I488 R489 K490 I494 P495	I488-G492 PolarHBondContact O-N 2.78Å; R489-G492 PolarHBondContact O-N 2.98Å; K490-G492 VanDerWaalsContact C-N 3.29Å; G492-I494 VanDerWaalsContact C-N 3.31Å; G492-I494 PolarHBondContact O-N 3.05Å; G492-P495 WeakPolarHBondContact O-CD 3.33Å
493	G	94.9	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-22.2	-172.8	0	0	0	0	0	115.6	I488 L496 L497	I488-G493 PolarHBondContact O-N 2.9Å; G493-L496 PolarHBondContact O-N 2.73Å; G493-L497 WeakPolarHBondContact O-CB 3.46Å; G493-L497 WeakPolarHBondContact O-CD1 3.37Å; G493-L497 WeakPolarHBondContact O-CG 3.34Å; G493-L497 PolarHBondContact O-N 2.84Å
494	I	94.8	Very high	94.4	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.036	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-51.4	-174.6	-55.7	-61	0	0	0	112.4	R489 G492 L496 L497 G498 Y525 A528 M534	R489-I494 HydrophobicContact CB-CG1 4.5Å; R489-I494 HydrophobicContact CG-CG1 4.34Å; G492-I494 VanDerWaalsContact C-N 3.31Å; G492-I494 PolarHBondContact O-N 3.05Å; I494-L496 VanDerWaalsContact C-N 3.28Å; I494-L496 PolarHBondContact O-N 3.41Å; I494-L497 HydrophobicContact CD1-CD1 4.34Å; I494-L497 PolarHBondContact O-N 3.06Å; I494-G498 PolarHBondContact O-N 3.11Å; I494-Y525 HydrophobicContact CD1-CD1 3.96Å; I494-Y525 HydrophobicContact CD1-CE1 4.22Å; I494-Y525 HydrophobicContact CG1-CD1 4.48Å; I494-A528 HydrophobicContact CG2-CB 4.01Å; I494-M534 HydrophobicContact CG2-CE 3.55Å; I494-M534 VanDerWaalsContact O-CE 3.24Å; I494-M534 WeakPolarHBondContact O-CE 3.5Å
495	P	93.9	Very high	94.1	Very high	62 Å²	62	45.7 Å²	45.7	40%	0.403	23%	0.231	S	C	.	.	H	α-helix	trans	-54.6	-40.2	171.5	-26.9	32	0	0	0	113.9	G492 G498 F499	G492-P495 WeakPolarHBondContact O-CD 3.33Å; P495-G498 CarbonylContact O-C 3.58Å; P495-G498 PolarHBondContact O-N 3.04Å; P495-F499 PolarHBondContact O-N 3.38Å
496	L	94.4	Very high	94	Very high	35 Å²	35	48.5 Å²	48.5	18%	0.183	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-40.5	179.5	-67.2	167.9	0	0	0	112	V445 L448 E449 G493 I494 G498 F499 L500	V445-L496 HydrophobicContact CG1-CD1 3.77Å; L448-L496 HydrophobicContact CB-CB 4.12Å; L448-L496 HydrophobicContact CB-CD1 4.33Å; L448-L496 HydrophobicContact CD1-CB 4.17Å; E449-L496 HydrophobicContact CG-CD1 3.71Å; E449-L496 HydrophobicContact CG-CD2 4.08Å; G493-L496 PolarHBondContact O-N 2.73Å; I494-L496 VanDerWaalsContact C-N 3.28Å; I494-L496 PolarHBondContact O-N 3.41Å; L496-G498 VanDerWaalsContact C-N 3.34Å; L496-F499 WeakPolarHBondContact O-CB 3.31Å; L496-F499 PolarHBondContact O-N 3.28Å; L496-L500 WeakPolarHBondContact O-CG 3.29Å; L496-L500 PolarHBondContact O-N 2.6Å
497	L	95.6	Very high	93.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-40.1	170.3	-68.8	166	0	0	0	111.3	L448 G493 I494 F499 L500 L501 V512 T515 L516	L448-L497 HydrophobicContact CD1-CD2 4.17Å; L448-L497 HydrophobicContact CD1-CG 4.33Å; G493-L497 WeakPolarHBondContact O-CB 3.46Å; G493-L497 WeakPolarHBondContact O-CD1 3.37Å; G493-L497 WeakPolarHBondContact O-CG 3.34Å; G493-L497 PolarHBondContact O-N 2.84Å; I494-L497 HydrophobicContact CD1-CD1 4.34Å; I494-L497 PolarHBondContact O-N 3.06Å; L497-F499 VanDerWaalsContact C-N 3.28Å; L497-F499 PolarHBondContact O-N 2.99Å; L497-L500 PolarHBondContact O-N 2.95Å; L497-L501 VanDerWaalsContact O-CB 3.27Å; L497-L501 WeakPolarHBondContact O-CB 3.43Å; L497-L501 PolarHBondContact O-N 2.97Å; L497-V512 HydrophobicContact CB-CG1 4.14Å; L497-V512 HydrophobicContact CD2-CB 4.2Å; L497-V512 HydrophobicContact CD2-CG1 3.99Å; L497-V512 HydrophobicContact CD2-CG2 3.98Å; L497-V512 VanDerWaalsContact O-CG1 3.22Å; L497-V512 WeakPolarHBondContact O-CG1 3.14Å; L497-T515 HydrophobicContact CD1-CG2 3.6Å; L497-T515 HydrophobicContact CD2-CG2 4.33Å; L497-L516 HydrophobicContact CB-CD2 3.94Å; L497-L516 HydrophobicContact CB-CG 4.26Å; L497-L516 HydrophobicContact CD1-CD2 4.12Å
498	G	94.4	Very high	93.7	Very high	2 Å²	2	50 Å²	50	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-21.8	174.1	0	0	0	0	0	114.7	I494 P495 L496 R502	I494-G498 PolarHBondContact O-N 3.11Å; P495-G498 CarbonylContact O-C 3.58Å; P495-G498 PolarHBondContact O-N 3.04Å; L496-G498 VanDerWaalsContact C-N 3.34Å; G498-R502 PolarHBondContact O-NE 3.39Å; G498-R502 PolarHBondContact O-NH2 3.18Å
499	F	92.5	Very high	93.6	Very high	81 Å²	81	50.2 Å²	50.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-75.9	-53.2	168.2	-178.9	-113.5	0	0	0	110.8	F451 P452 P495 L496 L497 L501 R502	F451-F499 HydrophobicContact CB-CE1 4.42Å; F451-F499 HydrophobicContact CD1-CD1 4.4Å; F451-F499 AromaticContact CD1-CE1 3.79Å; F451-F499 HydrophobicContact CD1-CE1 3.79Å; P452-F499 HydrophobicContact CB-CE1 3.81Å; P452-F499 HydrophobicContact CB-CZ 3.96Å; P495-F499 PolarHBondContact O-N 3.38Å; L496-F499 WeakPolarHBondContact O-CB 3.31Å; L496-F499 PolarHBondContact O-N 3.28Å; L497-F499 VanDerWaalsContact C-N 3.28Å; L497-F499 PolarHBondContact O-N 2.99Å; F499-L501 VanDerWaalsContact C-N 3.27Å; F499-L501 PolarHBondContact O-N 3.27Å; F499-R502 WeakPolarHBondContact O-CB 3.42Å; F499-R502 PolarHBondContact O-N 3.37Å; F499-R502 VanDerWaalsContact O-N 3.1Å
500	L	93.3	Very high	93.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-26	-178.2	-67.1	167.4	0	0	0	113.7	L448 F451 L496 L497 R502 S503 M508 V512	L448-L500 HydrophobicContact CB-CD1 3.84Å; L448-L500 HydrophobicContact CD1-CD1 4.2Å; L448-L500 HydrophobicContact CD2-CD1 3.8Å; L448-L500 HydrophobicContact CG-CD1 4.15Å; F451-L500 HydrophobicContact CB-CD2 3.89Å; F451-L500 HydrophobicContact CD1-CD2 3.48Å; F451-L500 VanDerWaalsContact CD1-CD2 3.48Å; F451-L500 HydrophobicContact CE1-CD2 4.15Å; F451-L500 HydrophobicContact CG-CD2 3.75Å; L496-L500 WeakPolarHBondContact O-CG 3.29Å; L496-L500 PolarHBondContact O-N 2.6Å; L497-L500 PolarHBondContact O-N 2.95Å; L500-R502 PolarHBondContact O-N 3.14Å; L500-R502 VanDerWaalsContact O-N 3.11Å; L500-S503 WeakPolarHBondContact O-CB 3.21Å; L500-S503 PolarHBondContact O-N 3.16Å; L500-M508 HydrophobicContact CB-CE 4.46Å; L500-M508 HydrophobicContact CD1-CE 3.97Å; L500-M508 HydrophobicContact CD2-CE 4.44Å; L500-M508 HydrophobicContact CD2-CG 4.34Å; L500-M508 HydrophobicContact CD2-SD 4.11Å; L500-V512 HydrophobicContact CB-CG1 4.5Å; L500-V512 HydrophobicContact CB-CG2 3.72Å; L500-V512 HydrophobicContact CD1-CG2 4.37Å
501	L	95	Very high	93.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.4	173	-179.2	62	0	0	0	113.5	L497 F499 V509 V512 V513 L516 M534 D537 L538 N541	L497-L501 VanDerWaalsContact O-CB 3.27Å; L497-L501 WeakPolarHBondContact O-CB 3.43Å; L497-L501 PolarHBondContact O-N 2.97Å; F499-L501 VanDerWaalsContact C-N 3.27Å; F499-L501 PolarHBondContact O-N 3.27Å; L501-V509 HydrophobicContact CD1-CG1 4.16Å; L501-V512 HydrophobicContact CB-CG1 4.03Å; L501-V513 HydrophobicContact CD1-CG2 3.45Å; L501-V513 VanDerWaalsContact CD1-CG2 3.45Å; L501-L516 HydrophobicContact CD2-CD1 4.04Å; L501-M534 HydrophobicContact CD2-CB 3.68Å; L501-M534 HydrophobicContact CD2-CG 4.08Å; L501-M534 HydrophobicContact CD2-SD 4.4Å; L501-D537 HydrophobicContact CD2-CB 3.85Å; L501-D537 HydrophobicContact CG-CB 3.81Å; L501-L538 HydrophobicContact CD1-CD2 4.13Å; L501-L538 HydrophobicContact CD2-CD2 4.4Å; L501-L538 HydrophobicContact CD2-CG 4.26Å; L501-N541 PolarHBondContact O-ND2 2.98Å
502	R	92.3	Very high	94	Very high	135 Å²	135	37.1 Å²	37.1	51%	0.509	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.6	178.1	-70.2	172	-80.8	167.9	-10.4	113.7	G498 F499 L500 D537	G498-R502 PolarHBondContact O-NE 3.39Å; G498-R502 PolarHBondContact O-NH2 3.18Å; F499-R502 WeakPolarHBondContact O-CB 3.42Å; F499-R502 PolarHBondContact O-N 3.37Å; F499-R502 VanDerWaalsContact O-N 3.1Å; L500-R502 PolarHBondContact O-N 3.14Å; L500-R502 VanDerWaalsContact O-N 3.11Å; R502-D537 WeakPolarHBondContact CD-OD2 3.49Å; R502-D537 HydrophobicContact CG-CB 4.25Å; R502-D537 VanDerWaalsContact CG-CG 3.47Å; R502-D537 VanDerWaalsContact CG-OD2 3.32Å; R502-D537 WeakPolarHBondContact CG-OD2 3.47Å
503	S	90.8	Very high	94.2	Very high	7 Å²	7	35.5 Å²	35.5	5%	0.049	18%	0.177	C	C	.	.			trans	-55.5	146.6	174.7	-179.3	0	0	0	0	112.1	L500 Y505	L500-S503 WeakPolarHBondContact O-CB 3.21Å; L500-S503 PolarHBondContact O-N 3.16Å; S503-Y505 VanDerWaalsContact C-N 3.31Å; S503-Y505 WeakPolarHBondContact OG-CD2 3.25Å; S503-Y505 PolarHBondContact OG-N 3.43Å
504	P	89.5	Confident	94.4	Very high	105 Å²	105	35.5 Å²	35.5	68%	0.682	18%	0.177	S	C	*	.	S	Bend	trans	-77.9	-14.8	170.3	33.3	-35.5	0	0	0	113.2
505	Y	90.9	Very high	94.5	Very high	105 Å²	105	35.2 Å²	35.2	41%	0.412	18%	0.175	S	C	.	.			trans	-90.5	109.2	-174.9	-54.8	-76.9	0	0	0	111.1	F451 M461 L465 S503 D507 M508 V509	F451-Y505 HydrophobicContact CZ-CD2 4.49Å; M461-Y505 HydrophobicContact CE-CE2 4.46Å; L465-Y505 HydrophobicContact CD1-CD2 3.87Å; L465-Y505 HydrophobicContact CD1-CG 4.33Å; L465-Y505 HydrophobicContact CD2-CD1 4.03Å; L465-Y505 HydrophobicContact CD2-CD2 3.65Å; L465-Y505 HydrophobicContact CD2-CE1 4.29Å; L465-Y505 HydrophobicContact CD2-CE2 3.94Å; L465-Y505 HydrophobicContact CD2-CG 3.7Å; L465-Y505 HydrophobicContact CG-CD2 4.44Å; S503-Y505 VanDerWaalsContact C-N 3.31Å; S503-Y505 WeakPolarHBondContact OG-CD2 3.25Å; S503-Y505 PolarHBondContact OG-N 3.43Å; Y505-D507 VanDerWaalsContact C-N 3.31Å; Y505-D507 PolarHBondContact O-N 2.94Å; Y505-M508 WeakPolarHBondContact O-CB 3.32Å; Y505-M508 PolarHBondContact O-N 2.86Å; Y505-M508 VanDerWaalsContact O-N 3.1Å; Y505-V509 WeakPolarHBondContact O-CG2 3.3Å; Y505-V509 PolarHBondContact O-N 3.28Å
506	E	93.7	Very high	94.7	Very high	71 Å²	71	32.2 Å²	32.2	33%	0.332	16%	0.156	S	C	.	.	H	α-helix	trans	-60.3	-37.8	-175	-60.4	-165.7	154.1	0	0	113.4	M508 V509 I510 S544 N546 L549	E506-M508 PolarHBondContact O-N 3.28Å; E506-M508 VanDerWaalsContact O-N 3.16Å; E506-V509 CarbonylContact O-C 3.58Å; E506-V509 WeakPolarHBondContact O-CA 3.42Å; E506-V509 PolarHBondContact O-N 2.86Å; E506-I510 WeakPolarHBondContact O-CG1 3.06Å; E506-I510 PolarHBondContact O-N 3.37Å; E506-S544 VanDerWaalsContact OE1-CB 3.29Å; E506-S544 WeakPolarHBondContact OE1-CB 3.32Å; E506-S544 PolarHBondContact OE1-OG 3.21Å; E506-N546 WeakPolarHBondContact OE2-CB 3.33Å; E506-N546 PolarHBondContact OE2-ND2 2.9Å; E506-L549 HydrophobicContact CB-CD2 4.2Å; E506-L549 HydrophobicContact CG-CD2 4.04Å
507	D	91.4	Very high	94.8	Very high	110 Å²	110	31.7 Å²	31.7	59%	0.588	15%	0.152	S	C	*	.	H	α-helix	trans	-61.6	-24.5	178.4	-57.3	-46.6	0	0	0	113.3	R469 Y505 P511	R469-D507 WeakPolarHBondContact CG-O 2.78Å; Y505-D507 VanDerWaalsContact C-N 3.31Å; Y505-D507 PolarHBondContact O-N 2.94Å; D507-P511 WeakPolarHBondContact O-CD 3.45Å
508	M	93.8	Very high	94.8	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-84.3	-35.9	171.5	177.3	73.2	-100.1	0	0	111.3	L465 A468 R469 A472 L500 Y505 E506 P511 V512	L465-M508 HydrophobicContact CD1-CB 3.8Å; L465-M508 HydrophobicContact CD1-CG 3.81Å; L465-M508 HydrophobicContact CD1-SD 4.04Å; A468-M508 HydrophobicContact CB-CE 4.44Å; A468-M508 HydrophobicContact CB-SD 3.79Å; R469-M508 HydrophobicContact CB-SD 4.11Å; R469-M508 PolarHBondContact N-SD 3.43Å; A472-M508 HydrophobicContact CB-CE 3.57Å; L500-M508 HydrophobicContact CB-CE 4.46Å; L500-M508 HydrophobicContact CD1-CE 3.97Å; L500-M508 HydrophobicContact CD2-CE 4.44Å; L500-M508 HydrophobicContact CD2-CG 4.34Å; L500-M508 HydrophobicContact CD2-SD 4.11Å; Y505-M508 WeakPolarHBondContact O-CB 3.32Å; Y505-M508 PolarHBondContact O-N 2.86Å; Y505-M508 VanDerWaalsContact O-N 3.1Å; E506-M508 PolarHBondContact O-N 3.28Å; E506-M508 VanDerWaalsContact O-N 3.16Å; M508-P511 WeakPolarHBondContact O-CD 3.47Å; M508-V512 HydrophobicContact CE-CG2 3.6Å; M508-V512 WeakPolarHBondContact O-CG2 3.23Å
509	V	96.1	Very high	94.9	Very high	4 Å²	4	33 Å²	33	2%	0.024	16%	0.158	C	C	.	.	H	α-helix	trans	-72.5	-37.6	-179.5	179.8	0	0	0	0	112	L501 Y505 E506 V512 V513 N541 L549	L501-V509 HydrophobicContact CD1-CG1 4.16Å; Y505-V509 WeakPolarHBondContact O-CG2 3.3Å; Y505-V509 PolarHBondContact O-N 3.28Å; E506-V509 CarbonylContact O-C 3.58Å; E506-V509 WeakPolarHBondContact O-CA 3.42Å; E506-V509 PolarHBondContact O-N 2.86Å; V509-V512 WeakPolarHBondContact O-CB 3.17Å; V509-V512 PolarHBondContact O-N 2.62Å; V509-V513 HydrophobicContact CG1-CG2 3.77Å; V509-V513 WeakPolarHBondContact O-CG2 3.49Å; V509-V513 PolarHBondContact O-N 3.31Å; V509-N541 WeakPolarHBondContact CG1-ND2 3.4Å; V509-L549 HydrophobicContact CB-CD1 4.35Å; V509-L549 HydrophobicContact CG1-CD1 3.59Å; V509-L549 HydrophobicContact CG1-CD2 4.27Å
510	I	97.8	Very high	95	Very high	16 Å²	16	29.1 Å²	29.1	8%	0.082	14%	0.141	C	C	.	.	H	α-helix	trans	-51.5	-58.7	178.4	-75.2	164.4	0	0	0	112.7	W476 E506 V512 V513 G514 E548 L549 L552	W476-I510 HydrophobicContact CZ3-CG2 4.13Å; E506-I510 WeakPolarHBondContact O-CG1 3.06Å; E506-I510 PolarHBondContact O-N 3.37Å; I510-V512 VanDerWaalsContact C-N 3.27Å; I510-V512 PolarHBondContact O-N 3.17Å; I510-V513 PolarHBondContact O-N 3.42Å; I510-G514 PolarHBondContact O-N 3.46Å; I510-E548 HydrophobicContact CG2-CG 4.28Å; I510-L549 HydrophobicContact CG1-CB 4.04Å; I510-L549 HydrophobicContact CG1-CD1 4.38Å; I510-L552 HydrophobicContact CG2-CD1 3.84Å
511	P	97.9	Very high	95.1	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-68.5	-25.1	179.9	26.9	-35.2	0	0	0	113.3	R469 A472 S473 W476 D507 M508 T515	R469-P511 HydrophobicContact CG-CG 4.47Å; A472-P511 HydrophobicContact CB-CB 4Å; A472-P511 HydrophobicContact CB-CG 4.05Å; S473-P511 WeakPolarHBondContact OG-CB 3.46Å; W476-P511 HydrophobicContact CE3-CB 4.13Å; D507-P511 WeakPolarHBondContact O-CD 3.45Å; M508-P511 WeakPolarHBondContact O-CD 3.47Å; P511-T515 WeakPolarHBondContact O-CB 3.39Å; P511-T515 PolarHBondContact O-N 2.86Å; P511-T515 PolarHBondContact O-OG1 3.17Å
512	V	97.7	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-52.6	172.9	168.9	0	0	0	0	110.5	A472 L497 L500 L501 M508 V509 I510 G514 T515 L516	A472-V512 HydrophobicContact CB-CG2 4.15Å; L497-V512 HydrophobicContact CB-CG1 4.14Å; L497-V512 HydrophobicContact CD2-CB 4.2Å; L497-V512 HydrophobicContact CD2-CG1 3.99Å; L497-V512 HydrophobicContact CD2-CG2 3.98Å; L497-V512 VanDerWaalsContact O-CG1 3.22Å; L497-V512 WeakPolarHBondContact O-CG1 3.14Å; L500-V512 HydrophobicContact CB-CG1 4.5Å; L500-V512 HydrophobicContact CB-CG2 3.72Å; L500-V512 HydrophobicContact CD1-CG2 4.37Å; L501-V512 HydrophobicContact CB-CG1 4.03Å; M508-V512 HydrophobicContact CE-CG2 3.6Å; M508-V512 WeakPolarHBondContact O-CG2 3.23Å; V509-V512 WeakPolarHBondContact O-CB 3.17Å; V509-V512 PolarHBondContact O-N 2.62Å; I510-V512 VanDerWaalsContact C-N 3.27Å; I510-V512 PolarHBondContact O-N 3.17Å; V512-G514 VanDerWaalsContact C-N 3.32Å; V512-G514 PolarHBondContact O-N 2.88Å; V512-T515 WeakPolarHBondContact O-CB 3.01Å; V512-T515 PolarHBondContact O-N 2.98Å; V512-L516 HydrophobicContact CG1-CD1 4.09Å; V512-L516 WeakPolarHBondContact O-CG 3.46Å; V512-L516 PolarHBondContact O-N 3.09Å
513	V	98.1	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-40.3	177.3	-179.4	0	0	0	0	110.4	L501 V509 I510 T515 L516 Q517 L538 L549 L552 A556	L501-V513 HydrophobicContact CD1-CG2 3.45Å; L501-V513 VanDerWaalsContact CD1-CG2 3.45Å; V509-V513 HydrophobicContact CG1-CG2 3.77Å; V509-V513 WeakPolarHBondContact O-CG2 3.49Å; V509-V513 PolarHBondContact O-N 3.31Å; I510-V513 PolarHBondContact O-N 3.42Å; V513-T515 VanDerWaalsContact C-N 3.34Å; V513-T515 PolarHBondContact O-N 3.3Å; V513-L516 PolarHBondContact O-N 3.03Å; V513-Q517 WeakPolarHBondContact O-CB 3.44Å; V513-Q517 PolarHBondContact O-N 2.95Å; V513-L538 HydrophobicContact CG1-CD2 3.84Å; V513-L538 HydrophobicContact CG2-CD2 4.07Å; V513-L549 HydrophobicContact CG2-CD1 4.03Å; V513-L552 HydrophobicContact CB-CB 4.26Å; V513-L552 VanDerWaalsContact CG1-C 3.45Å; V513-L552 HydrophobicContact CG1-CB 3.68Å; V513-A556 HydrophobicContact CG1-CB 4.35Å
514	G	97.8	Very high	95.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-44.5	173	0	0	0	0	0	113.1	W476 I510 V512 Q517 E518	W476-G514 VanDerWaalsContact CD1-O 3.26Å; W476-G514 VanDerWaalsContact CE2-CA 3.48Å; W476-G514 PolarHBondContact NE1-O 3.45Å; I510-G514 PolarHBondContact O-N 3.46Å; V512-G514 VanDerWaalsContact C-N 3.32Å; V512-G514 PolarHBondContact O-N 2.88Å; G514-Q517 PolarHBondContact O-N 3.01Å; G514-E518 PolarHBondContact O-N 3.2Å; G514-E518 VanDerWaalsContact O-N 3.07Å
515	T	98.1	Very high	95.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-44.3	175	-55.5	0	0	0	0	111.9	L475 W476 I488 L497 P511 V512 V513 E518 C519	L475-T515 HydrophobicContact CB-CG2 4.36Å; W476-T515 VanDerWaalsContact CA-OG1 3.23Å; W476-T515 WeakPolarHBondContact CA-OG1 3.5Å; W476-T515 WeakPolarHBondContact CB-OG1 3.44Å; W476-T515 PolarHBondContact N-OG1 3.05Å; W476-T515 VanDerWaalsContact N-OG1 3.14Å; I488-T515 HydrophobicContact CD1-CG2 4.41Å; L497-T515 HydrophobicContact CD1-CG2 3.6Å; L497-T515 HydrophobicContact CD2-CG2 4.33Å; P511-T515 WeakPolarHBondContact O-CB 3.39Å; P511-T515 PolarHBondContact O-N 2.86Å; P511-T515 PolarHBondContact O-OG1 3.17Å; V512-T515 WeakPolarHBondContact O-CB 3.01Å; V512-T515 PolarHBondContact O-N 2.98Å; V513-T515 VanDerWaalsContact C-N 3.34Å; V513-T515 PolarHBondContact O-N 3.3Å; T515-E518 PolarHBondContact O-N 2.95Å; T515-C519 WeakPolarHBondContact O-CB 3.41Å; T515-C519 PolarHBondContact O-N 3.21Å; T515-C519 PolarHBondContact O-SG 2.97Å
516	L	97.4	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-40.5	178.5	-67.6	172.7	0	0	0	112	L497 L501 V512 V513 E518 C519 A520 I529 M534	L497-L516 HydrophobicContact CB-CD2 3.94Å; L497-L516 HydrophobicContact CB-CG 4.26Å; L497-L516 HydrophobicContact CD1-CD2 4.12Å; L501-L516 HydrophobicContact CD2-CD1 4.04Å; V512-L516 HydrophobicContact CG1-CD1 4.09Å; V512-L516 WeakPolarHBondContact O-CG 3.46Å; V512-L516 PolarHBondContact O-N 3.09Å; V513-L516 PolarHBondContact O-N 3.03Å; L516-E518 PolarHBondContact O-N 3.44Å; L516-C519 PolarHBondContact O-N 3.17Å; L516-A520 WeakPolarHBondContact O-CB 3.48Å; L516-A520 PolarHBondContact O-N 3.19Å; L516-I529 HydrophobicContact CB-CD1 4.41Å; L516-I529 HydrophobicContact CD2-CD1 4.36Å; L516-I529 HydrophobicContact CD2-CG1 4.2Å; L516-M534 HydrophobicContact CD1-SD 3.69Å; L516-M534 HydrophobicContact CD2-CE 4.27Å; L516-M534 HydrophobicContact CD2-SD 3.7Å; L516-M534 HydrophobicContact CG-SD 4.36Å
517	Q	96.5	Very high	95.6	Very high	23 Å²	23	29.7 Å²	29.7	11%	0.107	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-43.4	175.3	-173.9	-87.7	17.7	0	0	110.8	V513 G514 S555 A556 K559	V513-Q517 WeakPolarHBondContact O-CB 3.44Å; V513-Q517 PolarHBondContact O-N 2.95Å; G514-Q517 PolarHBondContact O-N 3.01Å; Q517-S555 PolarHBondContact NE2-OG 3.06Å; Q517-A556 HydrophobicContact CB-CB 4.01Å; Q517-A556 HydrophobicContact CG-CB 4.3Å; Q517-K559 HydrophobicContact CG-CD 4.26Å; Q517-K559 WeakPolarHBondContact O-CD 3.19Å; Q517-K559 PolarHBondContact O-NZ 3.23Å
518	E	96.6	Very high	95.8	Very high	29 Å²	29	25.6 Å²	25.6	14%	0.136	14%	0.136	C	C	.	.	H	α-helix	trans	-70.3	-37.1	176.8	-72.8	-69	-160.7	0	0	111.9	S479 K480 K485 G514 T515 L516 S521 K559	S479-E518 VanDerWaalsContact OG-CB 3.23Å; S479-E518 WeakPolarHBondContact OG-CB 3.32Å; K480-E518 WeakPolarHBondContact CD-OE1 3.36Å; K480-E518 WeakPolarHBondContact CE-OE1 3.3Å; K480-E518 HydrophobicContact CG-CG 4.26Å; K480-E518 WeakPolarHBondContact CG-OE1 3.4Å; K480-E518 IonicContact NZ-OE1 3.05Å; K485-E518 VanDerWaalsContact CE-O 3.25Å; K485-E518 WeakPolarHBondContact CE-O 3.44Å; K485-E518 PolarHBondContact NZ-O 2.8Å; G514-E518 PolarHBondContact O-N 3.2Å; G514-E518 VanDerWaalsContact O-N 3.07Å; T515-E518 PolarHBondContact O-N 2.95Å; L516-E518 PolarHBondContact O-N 3.44Å; E518-S521 PolarHBondContact O-OG 2.55Å; E518-K559 IonicContact OE2-NZ 2.79Å; E518-K559 PolarHBondContact OE2-NZ 3.44Å
519	C	95.4	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-41.7	174.7	-70.4	0	0	0	0	113	T515 L516 S521 Q522 Y525	T515-C519 WeakPolarHBondContact O-CB 3.41Å; T515-C519 PolarHBondContact O-N 3.21Å; T515-C519 PolarHBondContact O-SG 2.97Å; L516-C519 PolarHBondContact O-N 3.17Å; C519-S521 PolarHBondContact O-N 3.4Å; C519-Q522 PolarHBondContact O-N 2.92Å; C519-Y525 HydrophobicContact CB-CD1 3.59Å; C519-Y525 HydrophobicContact CB-CE1 4.4Å; C519-Y525 HydrophobicContact CB-CG 3.97Å; C519-Y525 WeakPolarHBondContact O-CB 3.08Å
520	A	95.8	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-14.9	-177.5	0	0	0	0	0	115.2	L516 Q522 R526 I529 K559 C560	L516-A520 WeakPolarHBondContact O-CB 3.48Å; L516-A520 PolarHBondContact O-N 3.19Å; A520-Q522 PolarHBondContact O-N 2.83Å; A520-R526 HydrophobicContact CB-CG 4.42Å; A520-R526 VanDerWaalsContact O-CD 3.28Å; A520-R526 WeakPolarHBondContact O-CD 3.2Å; A520-R526 WeakPolarHBondContact O-CG 3.46Å; A520-I529 HydrophobicContact CB-CD1 4.12Å; A520-K559 HydrophobicContact CB-CB 3.69Å; A520-K559 HydrophobicContact CB-CD 4.44Å; A520-C560 VanDerWaalsContact CB-SG 3.54Å
521	S	93.9	Very high	95.5	Very high	58 Å²	58	31.8 Å²	31.8	41%	0.406	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.1	168.9	59.1	0	0	0	0	114.5	K485 E518 C519	K485-S521 PolarHBondContact NZ-OG 3.05Å; E518-S521 PolarHBondContact O-OG 2.55Å; C519-S521 PolarHBondContact O-N 3.4Å
522	Q	93.3	Very high	95.2	Very high	58 Å²	58	35.8 Å²	35.8	27%	0.271	19%	0.187	S	C	.	.	S	Bend	trans	-116.3	129.2	176.6	-70.2	-177.3	3.8	0	0	111.1	K485 C519 A520 N524 Y525 R526	K485-Q522 HydrophobicContact CD-CG 4.46Å; C519-Q522 PolarHBondContact O-N 2.92Å; A520-Q522 PolarHBondContact O-N 2.83Å; Q522-N524 VanDerWaalsContact C-N 3.29Å; Q522-N524 PolarHBondContact O-N 2.7Å; Q522-N524 VanDerWaalsContact O-N 3.14Å; Q522-Y525 HydrophobicContact CB-CD2 3.6Å; Q522-Y525 HydrophobicContact CB-CE2 4.15Å; Q522-Y525 WeakPolarHBondContact O-CB 3.27Å; Q522-Y525 PolarHBondContact O-N 3.19Å; Q522-R526 PolarHBondContact O-N 3.36Å
523	K	94.1	Very high	95.1	Very high	129 Å²	129	37.5 Å²	37.5	56%	0.561	21%	0.205	S	C	*	.	H	α-helix	trans	-51.4	-41.4	-175.3	-172.1	177.3	-177	-179.9	0	114.3	Y525 R526 V527	K523-Y525 PolarHBondContact O-N 2.89Å; K523-Y525 VanDerWaalsContact O-N 3.11Å; K523-R526 PolarHBondContact O-N 2.82Å; K523-R526 VanDerWaalsContact O-N 3.13Å; K523-V527 PolarHBondContact O-N 2.91Å; K523-V527 VanDerWaalsContact O-N 3.11Å
524	N	93.1	Very high	95.1	Very high	116 Å²	116	37.5 Å²	37.5	62%	0.62	21%	0.205	S	C	*	.	H	α-helix	trans	-60.6	-23.4	179.9	-63	2.9	0	0	0	113.2	Q522 A528	Q522-N524 VanDerWaalsContact C-N 3.29Å; Q522-N524 PolarHBondContact O-N 2.7Å; Q522-N524 VanDerWaalsContact O-N 3.14Å; N524-A528 PolarHBondContact O-N 3.06Å
525	Y	94.3	Very high	95.1	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-89.9	-33.6	178.7	-65.7	-101.5	0	0	0	111.4	K485 E486 R489 I494 C519 Q522 K523 V527 A528 I529	K485-Y525 HydrophobicContact CB-CE1 4.14Å; K485-Y525 HydrophobicContact CB-CE2 4.39Å; K485-Y525 PolarHBondContact O-OH 2.92Å; E486-Y525 WeakPolarHBondContact CA-OH 3.32Å; E486-Y525 PolarHBondContact N-OH 3.3Å; E486-Y525 VanDerWaalsContact N-OH 3.13Å; E486-Y525 PolarHBondContact OE2-OH 3.27Å; R489-Y525 HydrophobicContact CB-CE1 3.77Å; R489-Y525 VanDerWaalsContact CB-OH 3.29Å; R489-Y525 WeakPolarHBondContact CB-OH 3.45Å; R489-Y525 HydrophobicContact CG-CE1 4.19Å; I494-Y525 HydrophobicContact CD1-CD1 3.96Å; I494-Y525 HydrophobicContact CD1-CE1 4.22Å; I494-Y525 HydrophobicContact CG1-CD1 4.48Å; C519-Y525 HydrophobicContact CB-CD1 3.59Å; C519-Y525 HydrophobicContact CB-CE1 4.4Å; C519-Y525 HydrophobicContact CB-CG 3.97Å; C519-Y525 WeakPolarHBondContact O-CB 3.08Å; Q522-Y525 HydrophobicContact CB-CD2 3.6Å; Q522-Y525 HydrophobicContact CB-CE2 4.15Å; Q522-Y525 WeakPolarHBondContact O-CB 3.27Å; Q522-Y525 PolarHBondContact O-N 3.19Å; K523-Y525 PolarHBondContact O-N 2.89Å; K523-Y525 VanDerWaalsContact O-N 3.11Å; Y525-V527 VanDerWaalsContact C-N 3.35Å; Y525-A528 PolarHBondContact O-N 2.71Å; Y525-A528 VanDerWaalsContact O-N 3.16Å; Y525-I529 WeakPolarHBondContact O-CB 3.28Å; Y525-I529 VanDerWaalsContact O-CG1 3.23Å; Y525-I529 WeakPolarHBondContact O-CG1 3.26Å; Y525-I529 PolarHBondContact O-N 3.49Å
526	R	95.8	Very high	95	Very high	15 Å²	15	43.5 Å²	43.5	6%	0.057	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-47.8	171.3	-58.2	-170.7	-60.8	-141.4	26.6	110.6	A520 Q522 K523 A528 I529 E530 K559 E562 D563	A520-R526 HydrophobicContact CB-CG 4.42Å; A520-R526 VanDerWaalsContact O-CD 3.28Å; A520-R526 WeakPolarHBondContact O-CD 3.2Å; A520-R526 WeakPolarHBondContact O-CG 3.46Å; Q522-R526 PolarHBondContact O-N 3.36Å; K523-R526 PolarHBondContact O-N 2.82Å; K523-R526 VanDerWaalsContact O-N 3.13Å; R526-A528 VanDerWaalsContact C-N 3.26Å; R526-A528 PolarHBondContact O-N 2.93Å; R526-I529 PolarHBondContact O-N 2.63Å; R526-I529 VanDerWaalsContact O-N 3.14Å; R526-E530 WeakPolarHBondContact O-CB 3.31Å; R526-E530 WeakPolarHBondContact O-CG 3.46Å; R526-E530 PolarHBondContact O-N 2.7Å; R526-K559 WeakPolarHBondContact CD-O 3.36Å; R526-E562 IonicContact CZ-OE2 2.71Å; R526-E562 VanDerWaalsContact CZ-OE2 3.23Å; R526-E562 IonicContact NH1-OE2 3.86Å; R526-E562 PolarHBondContact NH1-OE2 2.89Å; R526-E562 IonicContact NH2-OE2 2.74Å; R526-E562 PolarHBondContact NH2-OE2 3.39Å; R526-D563 WeakPolarHBondContact CB-OD2 3.41Å; R526-D563 IonicContact CZ-OD1 3.23Å; R526-D563 IonicContact CZ-OD2 3.16Å; R526-D563 IonicContact NE-OD1 2.93Å; R526-D563 IonicContact NE-OD2 3.84Å; R526-D563 PolarHBondContact NE-OD2 3.06Å; R526-D563 IonicContact NH2-OD1 3.77Å; R526-D563 PolarHBondContact NH2-OD1 2.84Å; R526-D563 IonicContact NH2-OD2 2.72Å; R526-D563 PolarHBondContact NH2-OD2 2.9Å
527	V	94.1	Very high	95	Very high	59 Å²	59	44.6 Å²	44.6	36%	0.358	24%	0.237	S	C	.	.	H	α-helix	trans	-59	-35.8	174	176.2	0	0	0	0	112.1	K523 Y525 N531	K523-V527 PolarHBondContact O-N 2.91Å; K523-V527 VanDerWaalsContact O-N 3.11Å; Y525-V527 VanDerWaalsContact C-N 3.35Å; V527-N531 WeakPolarHBondContact O-CB 3.44Å; V527-N531 PolarHBondContact O-N 3.4Å; V527-N531 PolarHBondContact O-ND2 2.76Å
528	A	94.1	Very high	95.1	Very high	24 Å²	24	43.6 Å²	43.6	20%	0.198	23%	0.232	C	C	.	.	H	α-helix	trans	-70.8	-43.3	174.6	0	0	0	0	0	112.5	I494 N524 Y525 R526 E530 N531 E532	I494-A528 HydrophobicContact CG2-CB 4.01Å; N524-A528 PolarHBondContact O-N 3.06Å; Y525-A528 PolarHBondContact O-N 2.71Å; Y525-A528 VanDerWaalsContact O-N 3.16Å; R526-A528 VanDerWaalsContact C-N 3.26Å; R526-A528 PolarHBondContact O-N 2.93Å; A528-E530 VanDerWaalsContact C-N 3.28Å; A528-E530 PolarHBondContact O-N 2.88Å; A528-N531 PolarHBondContact O-N 2.85Å; A528-E532 WeakPolarHBondContact O-CB 3.33Å; A528-E532 WeakPolarHBondContact O-CG 3.19Å; A528-E532 PolarHBondContact O-N 3.11Å
529	I	95.3	Very high	95.2	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-36	175.5	-70.7	165.4	0	0	0	111.2	L516 A520 Y525 R526 M534 V535 L538	L516-I529 HydrophobicContact CB-CD1 4.41Å; L516-I529 HydrophobicContact CD2-CD1 4.36Å; L516-I529 HydrophobicContact CD2-CG1 4.2Å; A520-I529 HydrophobicContact CB-CD1 4.12Å; Y525-I529 WeakPolarHBondContact O-CB 3.28Å; Y525-I529 VanDerWaalsContact O-CG1 3.23Å; Y525-I529 WeakPolarHBondContact O-CG1 3.26Å; Y525-I529 PolarHBondContact O-N 3.49Å; R526-I529 PolarHBondContact O-N 2.63Å; R526-I529 VanDerWaalsContact O-N 3.14Å; I529-M534 HydrophobicContact CG1-SD 4.14Å; I529-M534 HydrophobicContact CG2-CB 4Å; I529-M534 PolarHBondContact O-N 3.48Å; I529-M534 VanDerWaalsContact O-N 3.14Å; I529-V535 HydrophobicContact CG2-CG2 4.29Å; I529-L538 HydrophobicContact CG2-CD1 4.41Å
530	E	93.6	Very high	95.3	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.093	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-51.1	172.4	-72.5	177.1	158.1	0	0	111.6	R526 A528 E532 G533 V535 T566	R526-E530 WeakPolarHBondContact O-CB 3.31Å; R526-E530 WeakPolarHBondContact O-CG 3.46Å; R526-E530 PolarHBondContact O-N 2.7Å; A528-E530 VanDerWaalsContact C-N 3.28Å; A528-E530 PolarHBondContact O-N 2.88Å; E530-E532 PolarHBondContact O-N 2.97Å; E530-G533 PolarHBondContact O-N 2.99Å; E530-G533 VanDerWaalsContact O-N 3.09Å; E530-V535 HydrophobicContact CG-CG2 4.41Å; E530-T566 WeakPolarHBondContact CG-OG1 3.15Å; E530-T566 WeakPolarHBondContact OE1-CB 3.36Å; E530-T566 PolarHBondContact OE1-N 3.01Å; E530-T566 PolarHBondContact OE1-OG1 2.8Å
531	N	92.6	Very high	95.3	Very high	129 Å²	129	48.1 Å²	48.1	69%	0.69	25%	0.252	S	S	*	.	H	α-helix	trans	-65.7	-36	-177.4	-72.3	-13.6	0	0	0	113.6	V527 A528 G533	V527-N531 WeakPolarHBondContact O-CB 3.44Å; V527-N531 PolarHBondContact O-N 3.4Å; V527-N531 PolarHBondContact O-ND2 2.76Å; A528-N531 PolarHBondContact O-N 2.85Å; N531-G533 PolarHBondContact O-N 2.77Å
532	E	93.1	Very high	95.5	Very high	89 Å²	89	45.5 Å²	45.5	42%	0.416	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.8	175.5	-63.5	-71.9	159.6	0	0	112.5	A528 E530 M534	A528-E532 WeakPolarHBondContact O-CB 3.33Å; A528-E532 WeakPolarHBondContact O-CG 3.19Å; A528-E532 PolarHBondContact O-N 3.11Å; E530-E532 PolarHBondContact O-N 2.97Å; E532-M534 HydrophobicContact CB-CE 3.5Å; E532-M534 HydrophobicContact CB-CG 3.92Å; E532-M534 HydrophobicContact CG-CE 3.74Å; E532-M534 PolarHBondContact O-N 3.37Å
533	G	94.6	Very high	95.6	Very high	36 Å²	36	49.2 Å²	49.2	37%	0.371	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	2.3	176.7	0	0	0	0	0	115.8	E530 N531 V535 K536	E530-G533 PolarHBondContact O-N 2.99Å; E530-G533 VanDerWaalsContact O-N 3.09Å; N531-G533 PolarHBondContact O-N 2.77Å; G533-V535 PolarHBondContact O-N 3.2Å; G533-K536 WeakPolarHBondContact O-CB 3.38Å; G533-K536 PolarHBondContact O-N 3.36Å; G533-K536 VanDerWaalsContact O-N 3.09Å
534	M	97.6	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.2	-170.4	-59.7	-172.7	-153.9	0	0	114.5	I494 L501 L516 I529 E532 K536 D537 L538	I494-M534 HydrophobicContact CG2-CE 3.55Å; I494-M534 VanDerWaalsContact O-CE 3.24Å; I494-M534 WeakPolarHBondContact O-CE 3.5Å; L501-M534 HydrophobicContact CD2-CB 3.68Å; L501-M534 HydrophobicContact CD2-CG 4.08Å; L501-M534 HydrophobicContact CD2-SD 4.4Å; L516-M534 HydrophobicContact CD1-SD 3.69Å; L516-M534 HydrophobicContact CD2-CE 4.27Å; L516-M534 HydrophobicContact CD2-SD 3.7Å; L516-M534 HydrophobicContact CG-SD 4.36Å; I529-M534 HydrophobicContact CG1-SD 4.14Å; I529-M534 HydrophobicContact CG2-CB 4Å; I529-M534 PolarHBondContact O-N 3.48Å; I529-M534 VanDerWaalsContact O-N 3.14Å; E532-M534 HydrophobicContact CB-CE 3.5Å; E532-M534 HydrophobicContact CB-CG 3.92Å; E532-M534 HydrophobicContact CG-CE 3.74Å; E532-M534 PolarHBondContact O-N 3.37Å; M534-K536 PolarHBondContact O-N 2.62Å; M534-D537 PolarHBondContact O-N 3.23Å; M534-L538 WeakPolarHBondContact O-CG 3.49Å; M534-L538 PolarHBondContact O-N 2.79Å
535	V	97.6	Very high	95.6	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-55.3	-34.6	176.7	-177	0	0	0	0	111.6	I529 E530 G533 V539 T566 L569 V570	I529-V535 HydrophobicContact CG2-CG2 4.29Å; E530-V535 HydrophobicContact CG-CG2 4.41Å; G533-V535 PolarHBondContact O-N 3.2Å; V535-V539 WeakPolarHBondContact O-CB 3.24Å; V535-V539 VanDerWaalsContact O-CG2 3.31Å; V535-V539 WeakPolarHBondContact O-CG2 3.49Å; V535-V539 PolarHBondContact O-N 2.69Å; V535-V539 VanDerWaalsContact O-N 3.1Å; V535-T566 HydrophobicContact CG1-CG2 4.39Å; V535-L569 HydrophobicContact CB-CB 4.34Å; V535-L569 HydrophobicContact CB-CD1 4.34Å; V535-L569 HydrophobicContact CG1-CB 3.82Å; V535-L569 HydrophobicContact CG2-CD1 4.24Å; V535-V570 HydrophobicContact CG1-CG2 3.68Å
536	K	97.3	Very high	95.7	Very high	123 Å²	123	47.7 Å²	47.7	54%	0.535	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-45	174.8	-175.3	-171.7	172.1	-167.8	0	112.1	G533 M534 V539 K540 H573	G533-K536 WeakPolarHBondContact O-CB 3.38Å; G533-K536 PolarHBondContact O-N 3.36Å; G533-K536 VanDerWaalsContact O-N 3.09Å; M534-K536 PolarHBondContact O-N 2.62Å; K536-V539 PolarHBondContact O-N 3Å; K536-K540 PolarHBondContact O-N 3.36Å; K536-H573 VanDerWaalsContact CA-CD2 3.48Å; K536-H573 WeakPolarHBondContact CA-CD2 3.42Å
537	D	97.7	Very high	95.7	Very high	23 Å²	23	50.3 Å²	50.3	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-78.9	-32.5	-175	-60.1	-51.9	0	0	0	111.6	L501 R502 M534 V539 K540 N541	L501-D537 HydrophobicContact CD2-CB 3.85Å; L501-D537 HydrophobicContact CG-CB 3.81Å; R502-D537 WeakPolarHBondContact CD-OD2 3.49Å; R502-D537 HydrophobicContact CG-CB 4.25Å; R502-D537 VanDerWaalsContact CG-CG 3.47Å; R502-D537 VanDerWaalsContact CG-OD2 3.32Å; R502-D537 WeakPolarHBondContact CG-OD2 3.47Å; M534-D537 PolarHBondContact O-N 3.23Å; D537-V539 VanDerWaalsContact C-N 3.31Å; D537-V539 PolarHBondContact O-N 2.91Å; D537-K540 WeakPolarHBondContact O-CB 3.38Å; D537-K540 PolarHBondContact O-N 3.29Å; D537-N541 WeakPolarHBondContact O-CB 3.35Å; D537-N541 PolarHBondContact O-N 2.97Å; D537-N541 PolarHBondContact O-ND2 3.42Å
538	L	97.9	Very high	95.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-44.3	164.8	-68.8	173.7	0	0	0	111.4	L501 V513 I529 M534 N541 L542 A556 I557	L501-L538 HydrophobicContact CD1-CD2 4.13Å; L501-L538 HydrophobicContact CD2-CD2 4.4Å; L501-L538 HydrophobicContact CD2-CG 4.26Å; V513-L538 HydrophobicContact CG1-CD2 3.84Å; V513-L538 HydrophobicContact CG2-CD2 4.07Å; I529-L538 HydrophobicContact CG2-CD1 4.41Å; M534-L538 WeakPolarHBondContact O-CG 3.49Å; M534-L538 PolarHBondContact O-N 2.79Å; L538-N541 PolarHBondContact O-N 3Å; L538-L542 PolarHBondContact O-N 2.77Å; L538-L542 VanDerWaalsContact O-N 3.12Å; L538-A556 HydrophobicContact CD1-CB 4.05Å; L538-A556 HydrophobicContact CD2-CB 4.09Å; L538-I557 HydrophobicContact CB-CD1 4.24Å; L538-I557 HydrophobicContact CB-CG1 4.28Å
539	V	97.9	Very high	96	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-68.9	-33.2	177.5	164.5	0	0	0	0	112.9	V535 K536 D537 I557 V570 H573 G575	V535-V539 WeakPolarHBondContact O-CB 3.24Å; V535-V539 VanDerWaalsContact O-CG2 3.31Å; V535-V539 WeakPolarHBondContact O-CG2 3.49Å; V535-V539 PolarHBondContact O-N 2.69Å; V535-V539 VanDerWaalsContact O-N 3.1Å; K536-V539 PolarHBondContact O-N 3Å; D537-V539 VanDerWaalsContact C-N 3.31Å; D537-V539 PolarHBondContact O-N 2.91Å; V539-I557 HydrophobicContact CG2-CD1 3.93Å; V539-V570 HydrophobicContact CG2-CB 4.46Å; V539-V570 HydrophobicContact CG2-CG1 4.29Å; V539-V570 HydrophobicContact CG2-CG2 4.15Å; V539-H573 HydrophobicContact CB-CB 4.29Å; V539-H573 HydrophobicContact CG1-CB 3.9Å; V539-H573 VanDerWaalsContact CG1-O 3.23Å; V539-H573 WeakPolarHBondContact CG1-O 3.44Å; V539-G575 VanDerWaalsContact CG1-CA 3.41Å
540	K	97.3	Very high	96.1	Very high	109 Å²	109	51.2 Å²	51.2	47%	0.474	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-48.4	169.4	179.8	-157.3	170.3	-152.3	0	110.3	K536 D537 L542 R543	K536-K540 PolarHBondContact O-N 3.36Å; D537-K540 WeakPolarHBondContact O-CB 3.38Å; D537-K540 PolarHBondContact O-N 3.29Å; K540-L542 VanDerWaalsContact C-N 3.3Å; K540-L542 PolarHBondContact O-N 3.42Å; K540-R543 WeakPolarHBondContact O-CB 3.49Å; K540-R543 PolarHBondContact O-N 3.4Å
541	N	97.4	Very high	96.3	Very high	13 Å²	13	52 Å²	52	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-15.6	-172.7	-63.5	-14.7	0	0	0	113.4	L501 V509 D537 L538 R543 S544 L549 C553	L501-N541 PolarHBondContact O-ND2 2.98Å; V509-N541 WeakPolarHBondContact CG1-ND2 3.4Å; D537-N541 WeakPolarHBondContact O-CB 3.35Å; D537-N541 PolarHBondContact O-N 2.97Å; D537-N541 PolarHBondContact O-ND2 3.42Å; L538-N541 PolarHBondContact O-N 3Å; N541-R543 PolarHBondContact O-N 3.26Å; N541-R543 VanDerWaalsContact O-N 3.11Å; N541-S544 WeakPolarHBondContact O-CB 3.22Å; N541-S544 PolarHBondContact O-N 3.46Å; N541-L549 HydrophobicContact CB-CD1 4.36Å; N541-L549 HydrophobicContact CB-CD2 4.44Å; N541-L549 HydrophobicContact CB-CG 4.39Å; N541-C553 VanDerWaalsContact CB-SG 3.6Å
542	L	96.9	Very high	96.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.5	162.4	-69.8	177.2	0	0	0	113.8	L538 K540 C553 A554 I557 P578 L579 L582	L538-L542 PolarHBondContact O-N 2.77Å; L538-L542 VanDerWaalsContact O-N 3.12Å; K540-L542 VanDerWaalsContact C-N 3.3Å; K540-L542 PolarHBondContact O-N 3.42Å; L542-C553 HydrophobicContact CD2-CB 3.7Å; L542-C553 HydrophobicContact CG-CB 4.17Å; L542-A554 HydrophobicContact CD2-CB 4.04Å; L542-I557 HydrophobicContact CD1-CD1 3.69Å; L542-I557 HydrophobicContact CD2-CD1 4.41Å; L542-I557 HydrophobicContact CG-CD1 4.12Å; L542-P578 HydrophobicContact CB-CB 3.86Å; L542-P578 HydrophobicContact CD1-CB 4.04Å; L542-L579 HydrophobicContact CD1-CD2 3.75Å; L542-L579 HydrophobicContact CD1-CG 3.9Å; L542-L579 HydrophobicContact CD2-CD2 4.05Å; L542-L582 HydrophobicContact CD2-CD1 4.02Å
543	R	94.9	Very high	96.8	Very high	137 Å²	137	42 Å²	42	52%	0.517	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	6.1	-178.7	-50.4	-179.7	-176.4	-169.3	-2.9	113.5	K540 N541 Q574 P578	K540-R543 WeakPolarHBondContact O-CB 3.49Å; K540-R543 PolarHBondContact O-N 3.4Å; N541-R543 PolarHBondContact O-N 3.26Å; N541-R543 VanDerWaalsContact O-N 3.11Å; R543-Q574 PolarHBondContact NH2-O 3.19Å; R543-Q574 VanDerWaalsContact NH2-O 3.1Å; R543-P578 HydrophobicContact CG-CB 4.46Å; R543-P578 HydrophobicContact CG-CG 4.02Å
544	S	95.1	Very high	97	Very high	17 Å²	17	40.3 Å²	40.3	12%	0.119	19%	0.189	C	C	.	.	S	Bend	trans	-64.4	155.4	163.2	162	0	0	0	0	110	E506 N541 N546 Q550	E506-S544 VanDerWaalsContact OE1-CB 3.29Å; E506-S544 WeakPolarHBondContact OE1-CB 3.32Å; E506-S544 PolarHBondContact OE1-OG 3.21Å; N541-S544 WeakPolarHBondContact O-CB 3.22Å; N541-S544 PolarHBondContact O-N 3.46Å; S544-N546 VanDerWaalsContact C-N 3.31Å; S544-N546 VanDerWaalsContact OG-CB 3.29Å; S544-N546 WeakPolarHBondContact OG-CB 3.21Å; S544-N546 PolarHBondContact OG-N 2.9Å; S544-Q550 PolarHBondContact O-NE2 2.83Å
545	D	93.3	Very high	97	Very high	151 Å²	151	41.3 Å²	41.3	81%	0.807	20%	0.196	S	C	*	.	S	Bend	trans	-76.7	-18.9	171.8	-68.1	-56	0	0	0	113.1	E547	D545-E547 PolarHBondContact O-N 3.33Å
546	N	95.9	Very high	97.1	Very high	46 Å²	46	41.2 Å²	41.2	25%	0.246	20%	0.196	C	C	.	.			trans	-77.4	117.6	-171.8	-178.2	-28.4	0	0	0	112.8	E506 S544 E548 L549 Q550	E506-N546 WeakPolarHBondContact OE2-CB 3.33Å; E506-N546 PolarHBondContact OE2-ND2 2.9Å; S544-N546 VanDerWaalsContact C-N 3.31Å; S544-N546 VanDerWaalsContact OG-CB 3.29Å; S544-N546 WeakPolarHBondContact OG-CB 3.21Å; S544-N546 PolarHBondContact OG-N 2.9Å; N546-E548 PolarHBondContact O-N 3.35Å; N546-E548 PolarHBondContact OD1-N 3.3Å; N546-E548 VanDerWaalsContact OD1-N 3.16Å; N546-L549 HydrophobicContact CB-CB 4.17Å; N546-L549 PolarHBondContact O-N 3.2Å; N546-L549 PolarHBondContact OD1-N 2.94Å; N546-Q550 VanDerWaalsContact O-CG 3.3Å; N546-Q550 WeakPolarHBondContact O-CG 3.49Å; N546-Q550 PolarHBondContact O-N 3.41Å
547	E	96.1	Very high	97.1	Very high	70 Å²	70	35.4 Å²	35.4	33%	0.327	17%	0.171	S	C	.	.	H	α-helix	trans	-69	-31.3	-171.4	-50.4	-139.8	146.1	0	0	113.8	D545 M551 K585 N588 L591	D545-E547 PolarHBondContact O-N 3.33Å; E547-M551 WeakPolarHBondContact O-CB 3.46Å; E547-M551 PolarHBondContact O-N 3.22Å; E547-K585 WeakPolarHBondContact OE1-CD 3.43Å; E547-K585 WeakPolarHBondContact OE1-CE 3.48Å; E547-K585 IonicContact OE1-NZ 3.92Å; E547-K585 PolarHBondContact OE1-NZ 3.13Å; E547-N588 WeakPolarHBondContact OE2-CB 3.39Å; E547-N588 PolarHBondContact OE2-ND2 3.03Å; E547-L591 HydrophobicContact CB-CD2 4.23Å
548	E	96.4	Very high	97.1	Very high	86 Å²	86	36.5 Å²	36.5	40%	0.402	18%	0.175	S	C	.	.	H	α-helix	trans	-68.1	-45.5	175.6	-177.4	174.7	-172.5	0	0	109.9	I510 N546 Q550 M551 L552	I510-E548 HydrophobicContact CG2-CG 4.28Å; N546-E548 PolarHBondContact O-N 3.35Å; N546-E548 PolarHBondContact OD1-N 3.3Å; N546-E548 VanDerWaalsContact OD1-N 3.16Å; E548-Q550 PolarHBondContact O-N 2.88Å; E548-M551 HydrophobicContact CG-CE 4.22Å; E548-M551 PolarHBondContact O-N 2.89Å; E548-L552 HydrophobicContact CG-CD1 3.87Å; E548-L552 HydrophobicContact CG-CG 4.29Å; E548-L552 WeakPolarHBondContact O-CB 3.41Å; E548-L552 VanDerWaalsContact O-CG 3.27Å; E548-L552 WeakPolarHBondContact O-CG 3.44Å; E548-L552 PolarHBondContact O-N 3.35Å
549	L	97.6	Very high	97.1	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-42.9	177	-178.6	53.2	0	0	0	111.7	E506 V509 I510 V513 N541 N546 L552 C553	E506-L549 HydrophobicContact CB-CD2 4.2Å; E506-L549 HydrophobicContact CG-CD2 4.04Å; V509-L549 HydrophobicContact CB-CD1 4.35Å; V509-L549 HydrophobicContact CG1-CD1 3.59Å; V509-L549 HydrophobicContact CG1-CD2 4.27Å; I510-L549 HydrophobicContact CG1-CB 4.04Å; I510-L549 HydrophobicContact CG1-CD1 4.38Å; V513-L549 HydrophobicContact CG2-CD1 4.03Å; N541-L549 HydrophobicContact CB-CD1 4.36Å; N541-L549 HydrophobicContact CB-CD2 4.44Å; N541-L549 HydrophobicContact CB-CG 4.39Å; N546-L549 HydrophobicContact CB-CB 4.17Å; N546-L549 PolarHBondContact O-N 3.2Å; N546-L549 PolarHBondContact OD1-N 2.94Å; L549-L552 PolarHBondContact O-N 2.84Å; L549-C553 WeakPolarHBondContact O-CB 3.34Å; L549-C553 PolarHBondContact O-N 2.9Å; L549-C553 PolarHBondContact O-SG 3.04Å
550	Q	97.8	Very high	97.1	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-48	172.5	-72.7	178.1	-18.3	0	0	111.6	S544 N546 E548 C553 A554 L582 L591	S544-Q550 PolarHBondContact O-NE2 2.83Å; N546-Q550 VanDerWaalsContact O-CG 3.3Å; N546-Q550 WeakPolarHBondContact O-CG 3.49Å; N546-Q550 PolarHBondContact O-N 3.41Å; E548-Q550 PolarHBondContact O-N 2.88Å; Q550-C553 PolarHBondContact O-N 2.88Å; Q550-A554 WeakPolarHBondContact O-CB 3.23Å; Q550-A554 PolarHBondContact O-N 2.99Å; Q550-L582 HydrophobicContact CB-CD1 4.43Å; Q550-L582 HydrophobicContact CB-CD2 3.99Å; Q550-L582 HydrophobicContact CG-CD2 3.91Å; Q550-L591 HydrophobicContact CB-CD1 3.76Å
551	M	97.9	Very high	97.1	Very high	36 Å²	36	33.3 Å²	33.3	18%	0.177	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-47.9	-179.7	175.3	-172.3	66.8	0	0	111.5	E547 E548 A554 S555 Q590 L591 A594	E547-M551 WeakPolarHBondContact O-CB 3.46Å; E547-M551 PolarHBondContact O-N 3.22Å; E548-M551 HydrophobicContact CG-CE 4.22Å; E548-M551 PolarHBondContact O-N 2.89Å; M551-A554 PolarHBondContact O-N 3.05Å; M551-S555 VanDerWaalsContact O-CB 3.23Å; M551-S555 WeakPolarHBondContact O-CB 3.43Å; M551-S555 PolarHBondContact O-N 3.39Å; M551-Q590 HydrophobicContact SD-CB 3.56Å; M551-Q590 VanDerWaalsContact SD-CB 3.56Å; M551-L591 HydrophobicContact CB-CB 4.34Å; M551-L591 HydrophobicContact CB-CD1 3.91Å; M551-A594 HydrophobicContact CG-CB 4.04Å; M551-A594 WeakPolarHBondContact O-CB 3.25Å
552	L	98.1	Very high	97	Very high	9 Å²	9	37.1 Å²	37.1	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-40.2	179.7	-68	173.9	0	0	0	111.2	W476 I510 V513 E548 L549 S555 A556	W476-L552 HydrophobicContact CH2-CD1 3.82Å; W476-L552 HydrophobicContact CH2-CD2 4.16Å; W476-L552 HydrophobicContact CZ2-CD1 4.22Å; W476-L552 HydrophobicContact CZ2-CD2 3.79Å; W476-L552 HydrophobicContact CZ3-CD1 4.49Å; I510-L552 HydrophobicContact CG2-CD1 3.84Å; V513-L552 HydrophobicContact CB-CB 4.26Å; V513-L552 VanDerWaalsContact CG1-C 3.45Å; V513-L552 HydrophobicContact CG1-CB 3.68Å; E548-L552 HydrophobicContact CG-CD1 3.87Å; E548-L552 HydrophobicContact CG-CG 4.29Å; E548-L552 WeakPolarHBondContact O-CB 3.41Å; E548-L552 VanDerWaalsContact O-CG 3.27Å; E548-L552 WeakPolarHBondContact O-CG 3.44Å; E548-L552 PolarHBondContact O-N 3.35Å; L549-L552 PolarHBondContact O-N 2.84Å; L552-S555 PolarHBondContact O-N 3.43Å; L552-A556 WeakPolarHBondContact O-CB 3.32Å; L552-A556 PolarHBondContact O-N 3.25Å
553	C	98.4	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-44.4	175.8	-69.8	0	0	0	0	111.9	N541 L542 L549 Q550 S555 A556 I557	N541-C553 VanDerWaalsContact CB-SG 3.6Å; L542-C553 HydrophobicContact CD2-CB 3.7Å; L542-C553 HydrophobicContact CG-CB 4.17Å; L549-C553 WeakPolarHBondContact O-CB 3.34Å; L549-C553 PolarHBondContact O-N 2.9Å; L549-C553 PolarHBondContact O-SG 3.04Å; Q550-C553 PolarHBondContact O-N 2.88Å; C553-S555 VanDerWaalsContact C-N 3.35Å; C553-S555 PolarHBondContact O-N 3.3Å; C553-A556 PolarHBondContact O-N 3.32Å; C553-I557 WeakPolarHBondContact O-CB 3.36Å; C553-I557 WeakPolarHBondContact O-CG1 3.42Å; C553-I557 PolarHBondContact O-N 3.11Å
554	A	98.4	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-42	175.4	0	0	0	0	0	111.4	L542 Q550 M551 I557 F558 L579 L582 A594 A598	L542-A554 HydrophobicContact CD2-CB 4.04Å; Q550-A554 WeakPolarHBondContact O-CB 3.23Å; Q550-A554 PolarHBondContact O-N 2.99Å; M551-A554 PolarHBondContact O-N 3.05Å; A554-I557 PolarHBondContact O-N 3.24Å; A554-F558 WeakPolarHBondContact O-CB 3.4Å; A554-F558 PolarHBondContact O-N 3.5Å; A554-L579 HydrophobicContact CB-CD2 4.08Å; A554-L582 HydrophobicContact CB-CD1 4.32Å; A554-A594 HydrophobicContact CB-CB 3.95Å; A554-A598 HydrophobicContact CB-CB 4.5Å
555	S	98.1	Very high	97.1	Very high	21 Å²	21	41.6 Å²	41.6	15%	0.147	20%	0.204	C	C	.	.	H	α-helix	trans	-69.6	-33.2	178.6	-164	0	0	0	0	112.9	Q517 M551 L552 C553 K559	Q517-S555 PolarHBondContact NE2-OG 3.06Å; M551-S555 VanDerWaalsContact O-CB 3.23Å; M551-S555 WeakPolarHBondContact O-CB 3.43Å; M551-S555 PolarHBondContact O-N 3.39Å; L552-S555 PolarHBondContact O-N 3.43Å; C553-S555 VanDerWaalsContact C-N 3.35Å; C553-S555 PolarHBondContact O-N 3.3Å; S555-K559 WeakPolarHBondContact O-CG 3.44Å; S555-K559 PolarHBondContact O-N 3.33Å; S555-K559 VanDerWaalsContact O-N 3.16Å
556	A	98.2	Very high	97.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-47.3	169.4	0	0	0	0	0	111	V513 Q517 L538 L552 C553 F558 K559 C560	V513-A556 HydrophobicContact CG1-CB 4.35Å; Q517-A556 HydrophobicContact CB-CB 4.01Å; Q517-A556 HydrophobicContact CG-CB 4.3Å; L538-A556 HydrophobicContact CD1-CB 4.05Å; L538-A556 HydrophobicContact CD2-CB 4.09Å; L552-A556 WeakPolarHBondContact O-CB 3.32Å; L552-A556 PolarHBondContact O-N 3.25Å; C553-A556 PolarHBondContact O-N 3.32Å; A556-F558 PolarHBondContact O-N 3.11Å; A556-K559 PolarHBondContact O-N 2.62Å; A556-C560 WeakPolarHBondContact O-CB 3.43Å; A556-C560 PolarHBondContact O-N 2.91Å; A556-C560 PolarHBondContact O-SG 2.95Å; A556-C560 VanDerWaalsContact O-SG 3.39Å
557	I	98.4	Very high	97.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-41.5	176.7	-71.6	164.9	0	0	0	111.2	L538 V539 L542 C553 A554 K559 C560 A561 V570 L579 A598	L538-I557 HydrophobicContact CB-CD1 4.24Å; L538-I557 HydrophobicContact CB-CG1 4.28Å; V539-I557 HydrophobicContact CG2-CD1 3.93Å; L542-I557 HydrophobicContact CD1-CD1 3.69Å; L542-I557 HydrophobicContact CD2-CD1 4.41Å; L542-I557 HydrophobicContact CG-CD1 4.12Å; C553-I557 WeakPolarHBondContact O-CB 3.36Å; C553-I557 WeakPolarHBondContact O-CG1 3.42Å; C553-I557 PolarHBondContact O-N 3.11Å; A554-I557 PolarHBondContact O-N 3.24Å; I557-K559 PolarHBondContact O-N 3.3Å; I557-C560 PolarHBondContact O-N 2.81Å; I557-A561 WeakPolarHBondContact O-CB 3.49Å; I557-A561 PolarHBondContact O-N 2.94Å; I557-V570 HydrophobicContact CG1-CG2 4.42Å; I557-V570 HydrophobicContact CG2-CG1 4.45Å; I557-V570 HydrophobicContact CG2-CG2 3.9Å; I557-L579 HydrophobicContact CG2-CD1 4.36Å; I557-A598 HydrophobicContact CG2-CB 4.17Å
558	F	98.1	Very high	97.5	Very high	47 Å²	47	31.6 Å²	31.6	21%	0.206	15%	0.151	C	C	.	.	H	α-helix	trans	-54.4	-49.2	173.2	167.8	-125.7	0	0	0	112.4	A554 A556 G597 A598 W600 K601	A554-F558 WeakPolarHBondContact O-CB 3.4Å; A554-F558 PolarHBondContact O-N 3.5Å; A556-F558 PolarHBondContact O-N 3.11Å; F558-G597 WeakPolarHBondContact CD2-O 3.22Å; F558-A598 HydrophobicContact CB-CB 4.31Å; F558-W600 HydrophobicContact CE2-CE3 4.27Å; F558-K601 HydrophobicContact CD2-CB 4.33Å; F558-K601 HydrophobicContact CD2-CG 3.46Å; F558-K601 VanDerWaalsContact CD2-CG 3.46Å; F558-K601 HydrophobicContact CE2-CD 4.42Å; F558-K601 HydrophobicContact CE2-CG 3.65Å
559	K	97.4	Very high	97.6	Very high	44 Å²	44	30 Å²	30	19%	0.191	15%	0.145	C	C	.	.	H	α-helix	trans	-68.1	-38.5	178.3	-71.2	175	173.6	-176.6	0	112.1	Q517 E518 A520 R526 S555 A556 I557	Q517-K559 HydrophobicContact CG-CD 4.26Å; Q517-K559 WeakPolarHBondContact O-CD 3.19Å; Q517-K559 PolarHBondContact O-NZ 3.23Å; E518-K559 IonicContact OE2-NZ 2.79Å; E518-K559 PolarHBondContact OE2-NZ 3.44Å; A520-K559 HydrophobicContact CB-CB 3.69Å; A520-K559 HydrophobicContact CB-CD 4.44Å; R526-K559 WeakPolarHBondContact CD-O 3.36Å; S555-K559 WeakPolarHBondContact O-CG 3.44Å; S555-K559 PolarHBondContact O-N 3.33Å; S555-K559 VanDerWaalsContact O-N 3.16Å; A556-K559 PolarHBondContact O-N 2.62Å; I557-K559 PolarHBondContact O-N 3.3Å
560	C	97.4	Very high	97.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.144	C	C	.	.	H	α-helix	trans	-72.8	-39.5	179.4	-69.8	0	0	0	0	113.6	A520 A556 I557 E562 D563 T566	A520-C560 VanDerWaalsContact CB-SG 3.54Å; A556-C560 WeakPolarHBondContact O-CB 3.43Å; A556-C560 PolarHBondContact O-N 2.91Å; A556-C560 PolarHBondContact O-SG 2.95Å; A556-C560 VanDerWaalsContact O-SG 3.39Å; I557-C560 PolarHBondContact O-N 2.81Å; C560-E562 PolarHBondContact O-N 2.97Å; C560-D563 PolarHBondContact O-N 3.25Å; C560-T566 HydrophobicContact CB-CG2 3.66Å
561	A	97.6	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	7.4	-173.1	0	0	0	0	0	115.4	I557 T566 R567 K601	I557-A561 WeakPolarHBondContact O-CB 3.49Å; I557-A561 PolarHBondContact O-N 2.94Å; A561-T566 HydrophobicContact CB-CG2 4.12Å; A561-R567 HydrophobicContact CB-CG 3.98Å; A561-R567 WeakPolarHBondContact O-CD 3.42Å; A561-R567 VanDerWaalsContact O-CG 3.26Å; A561-R567 WeakPolarHBondContact O-CG 3.45Å; A561-R567 PolarHBondContact O-NH1 3.22Å; A561-K601 HydrophobicContact CB-CB 3.72Å
562	E	95.4	Very high	97.6	Very high	92 Å²	92	34.2 Å²	34.2	43%	0.43	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-36.7	162.1	-175.9	161.1	-83.3	0	0	112.3	R526 C560 R567 K601	R526-E562 IonicContact CZ-OE2 2.71Å; R526-E562 VanDerWaalsContact CZ-OE2 3.23Å; R526-E562 IonicContact NH1-OE2 3.86Å; R526-E562 PolarHBondContact NH1-OE2 2.89Å; R526-E562 IonicContact NH2-OE2 2.74Å; R526-E562 PolarHBondContact NH2-OE2 3.39Å; C560-E562 PolarHBondContact O-N 2.97Å; E562-R567 VanDerWaalsContact C-NH1 3.25Å; E562-R567 PolarHBondContact O-NH1 3.41Å; E562-K601 IonicContact OE1-NZ 3.11Å; E562-K601 PolarHBondContact OE1-NZ 3.45Å
563	D	96.3	Very high	97.6	Very high	25 Å²	25	36.7 Å²	36.7	13%	0.134	18%	0.181	C	C	.	.	S	Bend	trans	-82.7	147.7	175.3	-63.3	-33	0	0	0	110.5	R526 C560 R567	R526-D563 WeakPolarHBondContact CB-OD2 3.41Å; R526-D563 IonicContact CZ-OD1 3.23Å; R526-D563 IonicContact CZ-OD2 3.16Å; R526-D563 IonicContact NE-OD1 2.93Å; R526-D563 IonicContact NE-OD2 3.84Å; R526-D563 PolarHBondContact NE-OD2 3.06Å; R526-D563 IonicContact NH2-OD1 3.77Å; R526-D563 PolarHBondContact NH2-OD1 2.84Å; R526-D563 IonicContact NH2-OD2 2.72Å; R526-D563 PolarHBondContact NH2-OD2 2.9Å; C560-D563 PolarHBondContact O-N 3.25Å; D563-R567 PolarHBondContact O-NH1 2.96Å
564	K	96.8	Very high	97.6	Very high	119 Å²	119	42.6 Å²	42.6	52%	0.517	21%	0.209	S	C	.	.	H	α-helix	trans	-67.8	-42.2	-171.5	-164.7	-159.1	179.4	-118.4	0	112.3	T566 R567 D568	K564-T566 PolarHBondContact O-N 3.47Å; K564-R567 WeakPolarHBondContact O-CB 3.44Å; K564-R567 PolarHBondContact O-N 3.19Å; K564-D568 VanDerWaalsContact CE-OD2 3.31Å; K564-D568 WeakPolarHBondContact CE-OD2 3.48Å; K564-D568 IonicContact NZ-OD1 3.93Å; K564-D568 IonicContact NZ-OD2 2.72Å; K564-D568 PolarHBondContact NZ-OD2 3.26Å; K564-D568 PolarHBondContact O-N 3.23Å; K564-D568 VanDerWaalsContact O-N 3.11Å
565	L	96.6	Very high	97.5	Very high	107 Å²	107	42.6 Å²	42.6	56%	0.56	21%	0.209	S	C	*	.	H	α-helix	trans	-60.6	-44.8	-174.2	-61.8	177.8	0	0	0	110.8	R567 D568 L569	L565-R567 VanDerWaalsContact C-N 3.32Å; L565-R567 PolarHBondContact O-N 2.99Å; L565-D568 PolarHBondContact O-N 3.17Å; L565-D568 VanDerWaalsContact O-N 3.16Å; L565-L569 WeakPolarHBondContact O-CB 3.36Å; L565-L569 VanDerWaalsContact O-CG 3.26Å; L565-L569 WeakPolarHBondContact O-CG 3.41Å; L565-L569 PolarHBondContact O-N 3.28Å
566	T	97.3	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-52.7	-45.2	171.2	-67.4	0	0	0	0	112.6	E530 V535 C560 A561 K564 D568 L569 V570	E530-T566 WeakPolarHBondContact CG-OG1 3.15Å; E530-T566 WeakPolarHBondContact OE1-CB 3.36Å; E530-T566 PolarHBondContact OE1-N 3.01Å; E530-T566 PolarHBondContact OE1-OG1 2.8Å; V535-T566 HydrophobicContact CG1-CG2 4.39Å; C560-T566 HydrophobicContact CB-CG2 3.66Å; A561-T566 HydrophobicContact CB-CG2 4.12Å; K564-T566 PolarHBondContact O-N 3.47Å; T566-D568 VanDerWaalsContact C-N 3.32Å; T566-D568 PolarHBondContact O-N 2.88Å; T566-L569 PolarHBondContact O-N 3.35Å; T566-V570 HydrophobicContact CG2-CG2 4.03Å; T566-V570 WeakPolarHBondContact O-CB 3.42Å; T566-V570 VanDerWaalsContact O-CG2 3.25Å; T566-V570 WeakPolarHBondContact O-CG2 3.34Å; T566-V570 PolarHBondContact O-N 2.94Å
567	R	98.3	Very high	97.5	Very high	27 Å²	27	46.9 Å²	46.9	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-37.7	-179.8	-65.6	-169.2	-65.9	-88.2	3.2	112.7	A561 E562 D563 K564 L565 R571 K601 N608	A561-R567 HydrophobicContact CB-CG 3.98Å; A561-R567 WeakPolarHBondContact O-CD 3.42Å; A561-R567 VanDerWaalsContact O-CG 3.26Å; A561-R567 WeakPolarHBondContact O-CG 3.45Å; A561-R567 PolarHBondContact O-NH1 3.22Å; E562-R567 VanDerWaalsContact C-NH1 3.25Å; E562-R567 PolarHBondContact O-NH1 3.41Å; D563-R567 PolarHBondContact O-NH1 2.96Å; K564-R567 WeakPolarHBondContact O-CB 3.44Å; K564-R567 PolarHBondContact O-N 3.19Å; L565-R567 VanDerWaalsContact C-N 3.32Å; L565-R567 PolarHBondContact O-N 2.99Å; R567-R571 PolarHBondContact O-N 3.49Å; R567-K601 WeakPolarHBondContact CD-O 3.46Å; R567-N608 PolarHBondContact O-ND2 3.05Å
568	D	98	Very high	97.5	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.16	23%	0.229	C	C	.	.	H	α-helix	trans	-74.9	-34.6	179.4	-60.4	-15.4	0	0	0	110.7	K564 L565 T566 R571 S572	K564-D568 VanDerWaalsContact CE-OD2 3.31Å; K564-D568 WeakPolarHBondContact CE-OD2 3.48Å; K564-D568 IonicContact NZ-OD1 3.93Å; K564-D568 IonicContact NZ-OD2 2.72Å; K564-D568 PolarHBondContact NZ-OD2 3.26Å; K564-D568 PolarHBondContact O-N 3.23Å; K564-D568 VanDerWaalsContact O-N 3.11Å; L565-D568 PolarHBondContact O-N 3.17Å; L565-D568 VanDerWaalsContact O-N 3.16Å; T566-D568 VanDerWaalsContact C-N 3.32Å; T566-D568 PolarHBondContact O-N 2.88Å; D568-R571 IonicContact OD1-NH1 3.61Å; D568-S572 PolarHBondContact O-N 3.09Å
569	L	98.1	Very high	97.5	Very high	52 Å²	52	45 Å²	45	27%	0.272	22%	0.219	S	C	.	.	H	α-helix	trans	-70.2	-43.7	173.9	-72.6	170.4	0	0	0	113.2	V535 L565 T566 R571 S572 H573	V535-L569 HydrophobicContact CB-CB 4.34Å; V535-L569 HydrophobicContact CB-CD1 4.34Å; V535-L569 HydrophobicContact CG1-CB 3.82Å; V535-L569 HydrophobicContact CG2-CD1 4.24Å; L565-L569 WeakPolarHBondContact O-CB 3.36Å; L565-L569 VanDerWaalsContact O-CG 3.26Å; L565-L569 WeakPolarHBondContact O-CG 3.41Å; L565-L569 PolarHBondContact O-N 3.28Å; T566-L569 PolarHBondContact O-N 3.35Å; L569-R571 PolarHBondContact O-N 2.84Å; L569-S572 PolarHBondContact O-N 3.06Å; L569-S572 VanDerWaalsContact O-N 3.16Å; L569-S572 PolarHBondContact O-OG 3.22Å; L569-S572 VanDerWaalsContact O-OG 3.11Å; L569-H573 WeakPolarHBondContact O-CB 3.36Å; L569-H573 PolarHBondContact O-CD2 3.46Å; L569-H573 VanDerWaalsContact O-CD2 3.26Å; L569-H573 PolarHBondContact O-N 3.01Å
570	V	98.3	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-33.9	175.9	170.2	0	0	0	0	110.7	V535 V539 I557 T566 G575 L576 L579	V535-V570 HydrophobicContact CG1-CG2 3.68Å; V539-V570 HydrophobicContact CG2-CB 4.46Å; V539-V570 HydrophobicContact CG2-CG1 4.29Å; V539-V570 HydrophobicContact CG2-CG2 4.15Å; I557-V570 HydrophobicContact CG1-CG2 4.42Å; I557-V570 HydrophobicContact CG2-CG1 4.45Å; I557-V570 HydrophobicContact CG2-CG2 3.9Å; T566-V570 HydrophobicContact CG2-CG2 4.03Å; T566-V570 WeakPolarHBondContact O-CB 3.42Å; T566-V570 VanDerWaalsContact O-CG2 3.25Å; T566-V570 WeakPolarHBondContact O-CG2 3.34Å; T566-V570 PolarHBondContact O-N 2.94Å; V570-G575 WeakPolarHBondContact O-CA 3.41Å; V570-G575 PolarHBondContact O-N 2.87Å; V570-L576 HydrophobicContact CG1-CD2 4.01Å; V570-L579 HydrophobicContact CG1-CD1 4.33Å
571	R	97.9	Very high	97.5	Very high	67 Å²	67	46.5 Å²	46.5	25%	0.253	23%	0.234	S	C	.	.	H	α-helix	trans	-68.2	-52.8	169.9	-179.7	-177.6	63	-140.7	21.7	112	R567 D568 L569 H573 Q574 L576 E607 N608 I611	R567-R571 PolarHBondContact O-N 3.49Å; D568-R571 IonicContact OD1-NH1 3.61Å; L569-R571 PolarHBondContact O-N 2.84Å; R571-H573 PolarHBondContact O-N 3.3Å; R571-Q574 PolarHBondContact O-N 3.32Å; R571-L576 HydrophobicContact CB-CD1 4.02Å; R571-L576 HydrophobicContact CB-CG 4.46Å; R571-L576 HydrophobicContact CG-CD1 3.97Å; R571-E607 IonicContact CZ-OE2 3.36Å; R571-E607 IonicContact NH1-OE2 3.71Å; R571-E607 PolarHBondContact NH1-OE2 2.76Å; R571-E607 IonicContact NH2-OE2 2.71Å; R571-E607 PolarHBondContact NH2-OE2 3.3Å; R571-N608 WeakPolarHBondContact CD-OD1 3.32Å; R571-N608 PolarHBondContact NH1-OD1 2.92Å; R571-I611 VanDerWaalsContact CD-CD1 3.48Å; R571-I611 HydrophobicContact CG-CD1 3.69Å
572	S	97.6	Very high	97.5	Very high	75 Å²	75	46.6 Å²	46.6	52%	0.524	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-27.6	-175.2	73.5	0	0	0	0	113.3	D568 L569 Q574	D568-S572 PolarHBondContact O-N 3.09Å; L569-S572 PolarHBondContact O-N 3.06Å; L569-S572 VanDerWaalsContact O-N 3.16Å; L569-S572 PolarHBondContact O-OG 3.22Å; L569-S572 VanDerWaalsContact O-OG 3.11Å; S572-Q574 VanDerWaalsContact C-N 3.34Å
573	H	97.6	Very high	97.5	Very high	61 Å²	61	42.5 Å²	42.5	28%	0.282	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	11.1	174.3	-59	-34.6	0	0	0	114.2	K536 V539 L569 R571 G575	K536-H573 VanDerWaalsContact CA-CD2 3.48Å; K536-H573 WeakPolarHBondContact CA-CD2 3.42Å; V539-H573 HydrophobicContact CB-CB 4.29Å; V539-H573 HydrophobicContact CG1-CB 3.9Å; V539-H573 VanDerWaalsContact CG1-O 3.23Å; V539-H573 WeakPolarHBondContact CG1-O 3.44Å; L569-H573 WeakPolarHBondContact O-CB 3.36Å; L569-H573 PolarHBondContact O-CD2 3.46Å; L569-H573 VanDerWaalsContact O-CD2 3.26Å; L569-H573 PolarHBondContact O-N 3.01Å; R571-H573 PolarHBondContact O-N 3.3Å; H573-G575 VanDerWaalsContact C-N 3.33Å; H573-G575 PolarHBondContact O-N 3.46Å
574	Q	97.1	Very high	97.3	Very high	124 Å²	124	46 Å²	46	58%	0.579	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	41	178	-52.8	170.1	-4.2	0	0	113.1	R543 R571 S572 P578	R543-Q574 PolarHBondContact NH2-O 3.19Å; R543-Q574 VanDerWaalsContact NH2-O 3.1Å; R571-Q574 PolarHBondContact O-N 3.32Å; S572-Q574 VanDerWaalsContact C-N 3.34Å; Q574-P578 WeakPolarHBondContact O-CD 3.35Å
575	G	97.4	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.			trans	-85.6	-17.1	177.3	0	0	0	0	0	114.6	V539 V570 H573 Q577 P578 L579	V539-G575 VanDerWaalsContact CG1-CA 3.41Å; V570-G575 WeakPolarHBondContact O-CA 3.41Å; V570-G575 PolarHBondContact O-N 2.87Å; H573-G575 VanDerWaalsContact C-N 3.33Å; H573-G575 PolarHBondContact O-N 3.46Å; G575-Q577 PolarHBondContact O-N 3.34Å; G575-P578 WeakPolarHBondContact O-CD 3.41Å; G575-L579 WeakPolarHBondContact O-CG 3.34Å; G575-L579 PolarHBondContact O-N 3.39Å; G575-L579 VanDerWaalsContact O-N 3.12Å
576	L	98.3	Very high	96.4	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-40.4	179.8	-55.6	-179.4	0	0	0	112.2	V570 R571 V580 C602 N608 I611 F612 Y615	V570-L576 HydrophobicContact CG1-CD2 4.01Å; R571-L576 HydrophobicContact CB-CD1 4.02Å; R571-L576 HydrophobicContact CB-CG 4.46Å; R571-L576 HydrophobicContact CG-CD1 3.97Å; L576-V580 WeakPolarHBondContact O-CG2 3.43Å; L576-V580 PolarHBondContact O-N 3.1Å; L576-C602 HydrophobicContact CD2-CB 4.19Å; L576-N608 HydrophobicContact CD1-CB 4Å; L576-N608 HydrophobicContact CD2-CB 4.34Å; L576-I611 HydrophobicContact CB-CG2 4.34Å; L576-I611 HydrophobicContact CD1-CB 3.92Å; L576-I611 HydrophobicContact CD1-CD1 4.17Å; L576-I611 HydrophobicContact CD1-CG2 3.8Å; L576-F612 HydrophobicContact CB-CD1 4.06Å; L576-F612 HydrophobicContact CB-CE1 3.7Å; L576-F612 HydrophobicContact CB-CZ 4.32Å; L576-F612 HydrophobicContact CD2-CE1 3.83Å; L576-F612 HydrophobicContact CD2-CE2 4.08Å; L576-F612 HydrophobicContact CD2-CZ 3.52Å; L576-F612 HydrophobicContact CG-CE1 4.27Å; L576-F612 HydrophobicContact CG-CZ 4.42Å; L576-Y615 HydrophobicContact CB-CE2 4.15Å
577	Q	97.4	Very high	96	Very high	109 Å²	109	48.7 Å²	48.7	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-67.5	-48.8	177.3	-175.2	-174.9	2.3	0	0	112.7	G575 L579 V580 S581 Y615	G575-Q577 PolarHBondContact O-N 3.34Å; Q577-L579 VanDerWaalsContact C-N 3.35Å; Q577-L579 PolarHBondContact O-N 3.22Å; Q577-V580 PolarHBondContact O-N 3.24Å; Q577-S581 PolarHBondContact O-N 3.09Å; Q577-Y615 HydrophobicContact CB-CD2 3.96Å; Q577-Y615 HydrophobicContact CB-CE1 4.23Å; Q577-Y615 HydrophobicContact CB-CE2 3.55Å; Q577-Y615 HydrophobicContact CB-CG 4.46Å; Q577-Y615 HydrophobicContact CG-CD1 4.41Å; Q577-Y615 HydrophobicContact CG-CD2 4.49Å; Q577-Y615 HydrophobicContact CG-CE1 4.3Å; Q577-Y615 HydrophobicContact CG-CE2 4.37Å
578	P	98	Very high	95.9	Very high	10 Å²	10	49.4 Å²	49.4	7%	0.065	27%	0.265	C	S	.	.	H	α-helix	trans	-49.8	-50.2	170	-31.1	34.8	0	0	0	113.3	L542 R543 Q574 G575 V580 S581 L582	L542-P578 HydrophobicContact CB-CB 3.86Å; L542-P578 HydrophobicContact CD1-CB 4.04Å; R543-P578 HydrophobicContact CG-CB 4.46Å; R543-P578 HydrophobicContact CG-CG 4.02Å; Q574-P578 WeakPolarHBondContact O-CD 3.35Å; G575-P578 WeakPolarHBondContact O-CD 3.41Å; P578-V580 VanDerWaalsContact C-N 3.3Å; P578-V580 PolarHBondContact O-N 2.88Å; P578-S581 WeakPolarHBondContact CA-OG 3.42Å; P578-S581 PolarHBondContact O-N 2.8Å; P578-S581 PolarHBondContact O-OG 2.82Å; P578-L582 WeakPolarHBondContact O-CG 3.26Å; P578-L582 PolarHBondContact O-N 2.79Å; P578-L582 VanDerWaalsContact O-N 3.11Å
579	L	98.3	Very high	95.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.1	-40	179.5	-71.8	176.6	0	0	0	113.1	L542 A554 I557 V570 G575 Q577 A598 I599	L542-L579 HydrophobicContact CD1-CD2 3.75Å; L542-L579 HydrophobicContact CD1-CG 3.9Å; L542-L579 HydrophobicContact CD2-CD2 4.05Å; A554-L579 HydrophobicContact CB-CD2 4.08Å; I557-L579 HydrophobicContact CG2-CD1 4.36Å; V570-L579 HydrophobicContact CG1-CD1 4.33Å; G575-L579 WeakPolarHBondContact O-CG 3.34Å; G575-L579 PolarHBondContact O-N 3.39Å; G575-L579 VanDerWaalsContact O-N 3.12Å; Q577-L579 VanDerWaalsContact C-N 3.35Å; Q577-L579 PolarHBondContact O-N 3.22Å; L579-A598 HydrophobicContact CD1-CB 3.89Å; L579-A598 HydrophobicContact CD2-CB 3.64Å; L579-A598 HydrophobicContact CG-CB 4.4Å; L579-I599 HydrophobicContact CB-CD1 4.39Å; L579-I599 HydrophobicContact CB-CG1 3.95Å
580	V	98	Very high	95.7	Very high	9 Å²	9	55.7 Å²	55.7	6%	0.055	29%	0.291	C	S	.	.	H	α-helix	trans	-69.9	-37.4	175.6	177.4	0	0	0	0	111.6	L576 Q577 P578 L582 L583 I599 F612 A617 I620	L576-V580 WeakPolarHBondContact O-CG2 3.43Å; L576-V580 PolarHBondContact O-N 3.1Å; Q577-V580 PolarHBondContact O-N 3.24Å; P578-V580 VanDerWaalsContact C-N 3.3Å; P578-V580 PolarHBondContact O-N 2.88Å; V580-L582 VanDerWaalsContact C-N 3.27Å; V580-L582 PolarHBondContact O-N 2.98Å; V580-L583 WeakPolarHBondContact O-CB 3.48Å; V580-L583 PolarHBondContact O-N 3.09Å; V580-L583 VanDerWaalsContact O-N 3.1Å; V580-I599 HydrophobicContact CG2-CD1 4.2Å; V580-F612 HydrophobicContact CG2-CD1 3.54Å; V580-F612 HydrophobicContact CG2-CE1 3.83Å; V580-A617 HydrophobicContact CG1-CB 4.16Å; V580-A617 HydrophobicContact CG2-CB 3.69Å; V580-I620 HydrophobicContact CG1-CD1 3.92Å
581	S	97	Very high	95.6	Very high	66 Å²	66	55.7 Å²	55.7	46%	0.462	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-32.8	177.9	73.9	0	0	0	0	113	Q577 P578 L583 S584	Q577-S581 PolarHBondContact O-N 3.09Å; P578-S581 WeakPolarHBondContact CA-OG 3.42Å; P578-S581 PolarHBondContact O-N 2.8Å; P578-S581 PolarHBondContact O-OG 2.82Å; S581-L583 PolarHBondContact O-N 2.86Å; S581-S584 WeakPolarHBondContact O-CB 3.45Å; S581-S584 PolarHBondContact O-N 3.34Å; S581-S584 VanDerWaalsContact O-N 3.12Å; S581-S584 PolarHBondContact O-OG 3.14Å
582	L	97.1	Very high	95.6	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-23.9	174.9	-62.3	178.6	0	0	0	113.3	L542 Q550 A554 P578 V580 S584 K585 L591 A595	L542-L582 HydrophobicContact CD2-CD1 4.02Å; Q550-L582 HydrophobicContact CB-CD1 4.43Å; Q550-L582 HydrophobicContact CB-CD2 3.99Å; Q550-L582 HydrophobicContact CG-CD2 3.91Å; A554-L582 HydrophobicContact CB-CD1 4.32Å; P578-L582 WeakPolarHBondContact O-CG 3.26Å; P578-L582 PolarHBondContact O-N 2.79Å; P578-L582 VanDerWaalsContact O-N 3.11Å; V580-L582 VanDerWaalsContact C-N 3.27Å; V580-L582 PolarHBondContact O-N 2.98Å; L582-S584 PolarHBondContact O-N 3.3Å; L582-K585 PolarHBondContact O-N 3.15Å; L582-K585 VanDerWaalsContact O-N 3.09Å; L582-L591 HydrophobicContact CD1-CD1 4.11Å; L582-L591 HydrophobicContact CD2-CD1 4.33Å; L582-A595 HydrophobicContact CB-CB 3.78Å; L582-A595 HydrophobicContact CD1-CB 4.22Å
583	L	95.8	Very high	95.6	Very high	6 Å²	6	49 Å²	49	3%	0.031	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.8	175.8	-57.2	-175.3	0	0	0	113.4	V580 S581 K585 L592 A595 T596 I599 I620 L621 L624	V580-L583 WeakPolarHBondContact O-CB 3.48Å; V580-L583 PolarHBondContact O-N 3.09Å; V580-L583 VanDerWaalsContact O-N 3.1Å; S581-L583 PolarHBondContact O-N 2.86Å; L583-K585 VanDerWaalsContact C-N 3.29Å; L583-L592 HydrophobicContact CD2-CD1 3.9Å; L583-A595 HydrophobicContact CD2-CB 4.11Å; L583-T596 HydrophobicContact CD2-CG2 3.51Å; L583-I599 HydrophobicContact CD1-CD1 3.67Å; L583-I599 HydrophobicContact CD2-CD1 4.03Å; L583-I599 HydrophobicContact CG-CD1 3.91Å; L583-I620 HydrophobicContact CB-CG2 3.73Å; L583-I620 HydrophobicContact CD1-CB 4.24Å; L583-I620 HydrophobicContact CD1-CG2 3.71Å; L583-I620 HydrophobicContact CG-CG2 4.39Å; L583-L621 HydrophobicContact CD1-CD2 4.41Å; L583-L624 HydrophobicContact CD2-CD1 4.3Å
584	S	92.8	Very high	95.6	Very high	100 Å²	100	46.5 Å²	46.5	70%	0.699	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.7	173	66.6	0	0	0	0	113.1	S581 L582 A586	S581-S584 WeakPolarHBondContact O-CB 3.45Å; S581-S584 PolarHBondContact O-N 3.34Å; S581-S584 VanDerWaalsContact O-N 3.12Å; S581-S584 PolarHBondContact O-OG 3.14Å; L582-S584 PolarHBondContact O-N 3.3Å; S584-A586 PolarHBondContact O-N 3.29Å
585	K	90.6	Very high	95.6	Very high	57 Å²	57	40.6 Å²	40.6	25%	0.248	22%	0.217	C	C	.	.			trans	-82.3	50	-179.8	-64.8	179.7	158.8	-152.2	0	111.6	E547 L582 L583 E587 N588 L591	E547-K585 WeakPolarHBondContact OE1-CD 3.43Å; E547-K585 WeakPolarHBondContact OE1-CE 3.48Å; E547-K585 IonicContact OE1-NZ 3.92Å; E547-K585 PolarHBondContact OE1-NZ 3.13Å; L582-K585 PolarHBondContact O-N 3.15Å; L582-K585 VanDerWaalsContact O-N 3.09Å; L583-K585 VanDerWaalsContact C-N 3.29Å; K585-E587 PolarHBondContact O-N 2.77Å; K585-E587 VanDerWaalsContact O-N 3.08Å; K585-N588 PolarHBondContact O-N 3.47Å; K585-N588 VanDerWaalsContact O-N 3.15Å; K585-L591 HydrophobicContact CB-CD2 3.96Å; K585-L591 HydrophobicContact CD-CD2 3.53Å; K585-L591 HydrophobicContact CG-CD2 4.39Å
586	A	83.4	Confident	95.7	Very high	38 Å²	38	40.6 Å²	40.6	31%	0.314	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.3	-168.3	0	0	0	0	0	115.3	S584 K589	S584-A586 PolarHBondContact O-N 3.29Å; A586-K589 WeakPolarHBondContact O-CE 3.4Å; A586-K589 PolarHBondContact O-NZ 3.33Å
587	E	90	Very high	95.7	Very high	186 Å²	186	40.4 Å²	40.4	87%	0.869	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-42.5	172.4	-62.7	-176.5	178.4	0	0	111.5	K585 K589	K585-E587 PolarHBondContact O-N 2.77Å; K585-E587 VanDerWaalsContact O-N 3.08Å; E587-K589 PolarHBondContact O-N 2.88Å
588	N	94.5	Very high	95.7	Very high	42 Å²	42	35.2 Å²	35.2	23%	0.225	19%	0.192	C	C	.	.			trans	-78.4	91.1	178.6	-174.2	-22	0	0	0	110.8	E547 K585 Q590 L591 L592	E547-N588 WeakPolarHBondContact OE2-CB 3.39Å; E547-N588 PolarHBondContact OE2-ND2 3.03Å; K585-N588 PolarHBondContact O-N 3.47Å; K585-N588 VanDerWaalsContact O-N 3.15Å; N588-Q590 VanDerWaalsContact C-N 3.29Å; N588-Q590 PolarHBondContact O-N 3.02Å; N588-Q590 PolarHBondContact OD1-N 3.33Å; N588-L591 HydrophobicContact CB-CB 3.96Å; N588-L591 HydrophobicContact CB-CD2 4.5Å; N588-L591 VanDerWaalsContact CG-CB 3.42Å; N588-L591 PolarHBondContact O-N 3.38Å; N588-L591 WeakPolarHBondContact OD1-CB 3.16Å; N588-L591 PolarHBondContact OD1-N 2.61Å; N588-L592 WeakPolarHBondContact O-CB 3.35Å; N588-L592 PolarHBondContact O-N 2.7Å
589	K	95.4	Very high	95.7	Very high	79 Å²	79	34.8 Å²	34.8	34%	0.343	19%	0.189	S	C	.	.	H	α-helix	trans	-63.3	-29.4	-175.6	-57	-51.2	-175.8	-175.5	0	114.2	A586 E587 L592 A593 P629	A586-K589 WeakPolarHBondContact O-CE 3.4Å; A586-K589 PolarHBondContact O-NZ 3.33Å; E587-K589 PolarHBondContact O-N 2.88Å; K589-L592 HydrophobicContact CD-CD2 4.41Å; K589-A593 WeakPolarHBondContact O-CB 3.41Å; K589-A593 PolarHBondContact O-N 3.41Å; K589-P629 HydrophobicContact CB-CG 4.21Å; K589-P629 HydrophobicContact CG-CG 4.46Å
590	Q	96.3	Very high	95.7	Very high	135 Å²	135	37 Å²	37	63%	0.631	20%	0.197	S	C	*	.	H	α-helix	trans	-76	-43.5	179.1	-64	-178.5	-14.9	0	0	111.4	M551 N588 L592 A593 A594	M551-Q590 HydrophobicContact SD-CB 3.56Å; M551-Q590 VanDerWaalsContact SD-CB 3.56Å; N588-Q590 VanDerWaalsContact C-N 3.29Å; N588-Q590 PolarHBondContact O-N 3.02Å; N588-Q590 PolarHBondContact OD1-N 3.33Å; Q590-L592 VanDerWaalsContact C-N 3.32Å; Q590-L592 PolarHBondContact O-N 3.14Å; Q590-A593 PolarHBondContact O-N 3.37Å; Q590-A594 PolarHBondContact O-N 2.97Å
591	L	97.3	Very high	95.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-43.2	170	176.9	59.3	0	0	0	111.3	E547 Q550 M551 L582 K585 N588 A594 A595	E547-L591 HydrophobicContact CB-CD2 4.23Å; Q550-L591 HydrophobicContact CB-CD1 3.76Å; M551-L591 HydrophobicContact CB-CB 4.34Å; M551-L591 HydrophobicContact CB-CD1 3.91Å; L582-L591 HydrophobicContact CD1-CD1 4.11Å; L582-L591 HydrophobicContact CD2-CD1 4.33Å; K585-L591 HydrophobicContact CB-CD2 3.96Å; K585-L591 HydrophobicContact CD-CD2 3.53Å; K585-L591 HydrophobicContact CG-CD2 4.39Å; N588-L591 HydrophobicContact CB-CB 3.96Å; N588-L591 HydrophobicContact CB-CD2 4.5Å; N588-L591 VanDerWaalsContact CG-CB 3.42Å; N588-L591 PolarHBondContact O-N 3.38Å; N588-L591 WeakPolarHBondContact OD1-CB 3.16Å; N588-L591 PolarHBondContact OD1-N 2.61Å; L591-A594 PolarHBondContact O-N 3.4Å; L591-A595 VanDerWaalsContact O-CB 3.32Å; L591-A595 WeakPolarHBondContact O-CB 3.33Å; L591-A595 PolarHBondContact O-N 2.87Å
592	L	97.3	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-41.3	177.1	-171.7	65.5	0	0	0	112.1	L583 N588 K589 Q590 T596 L624 V632	L583-L592 HydrophobicContact CD2-CD1 3.9Å; N588-L592 WeakPolarHBondContact O-CB 3.35Å; N588-L592 PolarHBondContact O-N 2.7Å; K589-L592 HydrophobicContact CD-CD2 4.41Å; Q590-L592 VanDerWaalsContact C-N 3.32Å; Q590-L592 PolarHBondContact O-N 3.14Å; L592-T596 HydrophobicContact CD1-CG2 4.31Å; L592-T596 HydrophobicContact CG-CG2 4.49Å; L592-T596 WeakPolarHBondContact O-CB 3.46Å; L592-T596 VanDerWaalsContact O-CG2 3.27Å; L592-T596 WeakPolarHBondContact O-CG2 3.37Å; L592-T596 PolarHBondContact O-N 3.46Å; L592-T596 PolarHBondContact O-OG1 3.49Å; L592-L624 HydrophobicContact CD1-CD1 3.95Å; L592-L624 HydrophobicContact CD1-CD2 4.45Å; L592-L624 HydrophobicContact CD2-CD2 4.16Å; L592-V632 HydrophobicContact CB-CG2 4.38Å; L592-V632 HydrophobicContact CD2-CG1 4.01Å; L592-V632 HydrophobicContact CD2-CG2 4.24Å; L592-V632 HydrophobicContact CG-CG1 4.09Å; L592-V632 HydrophobicContact CG-CG2 4.21Å
593	A	97.4	Very high	95.9	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-45.8	174.6	0	0	0	0	0	111.7	K589 Q590 T596 G597 E631 V632 N635	K589-A593 WeakPolarHBondContact O-CB 3.41Å; K589-A593 PolarHBondContact O-N 3.41Å; Q590-A593 PolarHBondContact O-N 3.37Å; A593-T596 PolarHBondContact O-OG1 3.26Å; A593-T596 VanDerWaalsContact O-OG1 3.12Å; A593-G597 PolarHBondContact O-N 2.86Å; A593-E631 HydrophobicContact CB-CG 4.02Å; A593-V632 HydrophobicContact CB-CG2 3.87Å; A593-N635 PolarHBondContact O-ND2 3.44Å
594	A	97.9	Very high	95.9	Very high	8 Å²	8	37.8 Å²	37.8	7%	0.066	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-44.8	177.3	0	0	0	0	0	112.6	M551 A554 Q590 L591 A598	M551-A594 HydrophobicContact CG-CB 4.04Å; M551-A594 WeakPolarHBondContact O-CB 3.25Å; A554-A594 HydrophobicContact CB-CB 3.95Å; Q590-A594 PolarHBondContact O-N 2.97Å; L591-A594 PolarHBondContact O-N 3.4Å; A594-A598 WeakPolarHBondContact O-CB 3.46Å; A594-A598 PolarHBondContact O-N 2.92Å
595	A	98.3	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-46.8	179.2	0	0	0	0	0	112.4	L582 L583 L591 G597 A598 I599	L582-A595 HydrophobicContact CB-CB 3.78Å; L582-A595 HydrophobicContact CD1-CB 4.22Å; L583-A595 HydrophobicContact CD2-CB 4.11Å; L591-A595 VanDerWaalsContact O-CB 3.32Å; L591-A595 WeakPolarHBondContact O-CB 3.33Å; L591-A595 PolarHBondContact O-N 2.87Å; A595-G597 VanDerWaalsContact C-N 3.33Å; A595-G597 PolarHBondContact O-N 2.79Å; A595-A598 PolarHBondContact O-N 3.14Å; A595-I599 WeakPolarHBondContact O-CG1 3.35Å; A595-I599 PolarHBondContact O-N 3.34Å
596	T	98.3	Very high	96.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-37.7	176.3	52.8	0	0	0	0	111.9	L583 L592 A593 I599 W600 L621 L624 V632 N635 V636	L583-T596 HydrophobicContact CD2-CG2 3.51Å; L592-T596 HydrophobicContact CD1-CG2 4.31Å; L592-T596 HydrophobicContact CG-CG2 4.49Å; L592-T596 WeakPolarHBondContact O-CB 3.46Å; L592-T596 VanDerWaalsContact O-CG2 3.27Å; L592-T596 WeakPolarHBondContact O-CG2 3.37Å; L592-T596 PolarHBondContact O-N 3.46Å; L592-T596 PolarHBondContact O-OG1 3.49Å; A593-T596 PolarHBondContact O-OG1 3.26Å; A593-T596 VanDerWaalsContact O-OG1 3.12Å; T596-I599 PolarHBondContact O-N 3.48Å; T596-W600 PolarHBondContact O-N 3.47Å; T596-L621 HydrophobicContact CG2-CD2 4.27Å; T596-L624 HydrophobicContact CG2-CD1 4.18Å; T596-V632 HydrophobicContact CG2-CG1 4.41Å; T596-N635 WeakPolarHBondContact OG1-CB 3.36Å; T596-V636 HydrophobicContact CG2-CG2 3.63Å
597	G	97.9	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-47.9	173.6	0	0	0	0	0	112.2	F558 A593 A595 I599 W600 K601 N635	F558-G597 WeakPolarHBondContact CD2-O 3.22Å; A593-G597 PolarHBondContact O-N 2.86Å; A595-G597 VanDerWaalsContact C-N 3.33Å; A595-G597 PolarHBondContact O-N 2.79Å; G597-I599 VanDerWaalsContact C-N 3.33Å; G597-I599 PolarHBondContact O-N 2.93Å; G597-W600 WeakPolarHBondContact O-CB 3.26Å; G597-W600 PolarHBondContact O-N 2.87Å; G597-K601 PolarHBondContact O-N 3.26Å; G597-N635 WeakPolarHBondContact CA-ND2 3.36Å; G597-N635 PolarHBondContact N-ND2 3.07Å
598	A	98.5	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-43.9	176.3	0	0	0	0	0	111.9	A554 I557 F558 L579 A594 A595 C602	A554-A598 HydrophobicContact CB-CB 4.5Å; I557-A598 HydrophobicContact CG2-CB 4.17Å; F558-A598 HydrophobicContact CB-CB 4.31Å; L579-A598 HydrophobicContact CD1-CB 3.89Å; L579-A598 HydrophobicContact CD2-CB 3.64Å; L579-A598 HydrophobicContact CG-CB 4.4Å; A594-A598 WeakPolarHBondContact O-CB 3.46Å; A594-A598 PolarHBondContact O-N 2.92Å; A595-A598 PolarHBondContact O-N 3.14Å; A598-C602 VanDerWaalsContact O-CB 3.25Å; A598-C602 WeakPolarHBondContact O-CB 3.4Å; A598-C602 PolarHBondContact O-N 3.08Å; A598-C602 PolarHBondContact O-SG 3.09Å; A598-C602 VanDerWaalsContact O-SG 3.35Å
599	I	98.6	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-47.8	174.1	-68.6	170.3	0	0	0	110.7	L579 V580 L583 A595 T596 G597 K601 C602 S603 F612 L621 A639	L579-I599 HydrophobicContact CB-CD1 4.39Å; L579-I599 HydrophobicContact CB-CG1 3.95Å; V580-I599 HydrophobicContact CG2-CD1 4.2Å; L583-I599 HydrophobicContact CD1-CD1 3.67Å; L583-I599 HydrophobicContact CD2-CD1 4.03Å; L583-I599 HydrophobicContact CG-CD1 3.91Å; A595-I599 WeakPolarHBondContact O-CG1 3.35Å; A595-I599 PolarHBondContact O-N 3.34Å; T596-I599 PolarHBondContact O-N 3.48Å; G597-I599 VanDerWaalsContact C-N 3.33Å; G597-I599 PolarHBondContact O-N 2.93Å; I599-K601 PolarHBondContact O-N 2.8Å; I599-C602 PolarHBondContact O-N 3.22Å; I599-S603 WeakPolarHBondContact O-CB 3.2Å; I599-S603 PolarHBondContact O-N 2.83Å; I599-S603 PolarHBondContact O-OG 3.19Å; I599-F612 HydrophobicContact CB-CE2 4.46Å; I599-F612 HydrophobicContact CB-CZ 4.11Å; I599-F612 HydrophobicContact CG1-CE1 3.99Å; I599-F612 HydrophobicContact CG1-CZ 3.87Å; I599-F612 HydrophobicContact CG2-CD2 4.3Å; I599-F612 HydrophobicContact CG2-CE1 4.37Å; I599-F612 HydrophobicContact CG2-CE2 3.91Å; I599-F612 HydrophobicContact CG2-CZ 3.94Å; I599-L621 HydrophobicContact CG2-CD1 4.19Å; I599-A639 HydrophobicContact CG2-CB 4.48Å
600	W	98.3	Very high	97.5	Very high	46 Å²	46	24.1 Å²	24.1	17%	0.174	12%	0.122	C	C	.	.	H	α-helix	trans	-54.8	-53	177.9	172.4	26.4	0	0	0	112.5	F558 T596 G597 S603 V634 N635 G638 A639 N676	F558-W600 HydrophobicContact CE2-CE3 4.27Å; T596-W600 PolarHBondContact O-N 3.47Å; G597-W600 WeakPolarHBondContact O-CB 3.26Å; G597-W600 PolarHBondContact O-N 2.87Å; W600-S603 WeakPolarHBondContact O-CB 3.02Å; W600-S603 PolarHBondContact O-N 3.11Å; W600-V634 HydrophobicContact CZ3-CG1 4.26Å; W600-N635 HydrophobicContact CE3-CB 4.43Å; W600-N635 VanDerWaalsContact CE3-OD1 3.31Å; W600-N635 WeakPolarHBondContact CZ3-OD1 3.25Å; W600-G638 VanDerWaalsContact NE1-C 3.26Å; W600-G638 PolarHBondContact NE1-O 3.37Å; W600-G638 VanDerWaalsContact NE1-O 3.15Å; W600-A639 HydrophobicContact CB-CB 3.93Å; W600-A639 VanDerWaalsContact CD1-N 3.34Å; W600-N676 WeakPolarHBondContact CH2-ND2 3.42Å; W600-N676 VanDerWaalsContact CZ2-ND2 3.33Å; W600-N676 WeakPolarHBondContact CZ2-ND2 3.4Å
601	K	98.1	Very high	97.5	Very high	39 Å²	39	19.5 Å²	19.5	17%	0.17	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-42.3	-179.3	-70.5	-79.4	-168.6	167.1	0	110.9	F558 A561 E562 R567 G597 I599 S603 I604	F558-K601 HydrophobicContact CD2-CB 4.33Å; F558-K601 HydrophobicContact CD2-CG 3.46Å; F558-K601 VanDerWaalsContact CD2-CG 3.46Å; F558-K601 HydrophobicContact CE2-CD 4.42Å; F558-K601 HydrophobicContact CE2-CG 3.65Å; A561-K601 HydrophobicContact CB-CB 3.72Å; E562-K601 IonicContact OE1-NZ 3.11Å; E562-K601 PolarHBondContact OE1-NZ 3.45Å; R567-K601 WeakPolarHBondContact CD-O 3.46Å; G597-K601 PolarHBondContact O-N 3.26Å; I599-K601 PolarHBondContact O-N 2.8Å; K601-S603 VanDerWaalsContact C-N 3.3Å; K601-S603 PolarHBondContact O-N 3.12Å; K601-I604 HydrophobicContact CD-CD1 4.06Å; K601-I604 VanDerWaalsContact O-CB 3.32Å; K601-I604 WeakPolarHBondContact O-CB 3.28Å; K601-I604 VanDerWaalsContact O-CG1 3.29Å; K601-I604 WeakPolarHBondContact O-CG1 3.5Å; K601-I604 PolarHBondContact O-N 3.18Å; K601-I604 VanDerWaalsContact O-N 3.17Å
602	C	98.3	Very high	97.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-38.1	173.3	-78	0	0	0	0	113.2	L576 A598 I599 I604 S605 N608 F612	L576-C602 HydrophobicContact CD2-CB 4.19Å; A598-C602 VanDerWaalsContact O-CB 3.25Å; A598-C602 WeakPolarHBondContact O-CB 3.4Å; A598-C602 PolarHBondContact O-N 3.08Å; A598-C602 PolarHBondContact O-SG 3.09Å; A598-C602 VanDerWaalsContact O-SG 3.35Å; I599-C602 PolarHBondContact O-N 3.22Å; C602-I604 PolarHBondContact O-N 2.95Å; C602-I604 VanDerWaalsContact O-N 3.15Å; C602-S605 PolarHBondContact O-N 3.38Å; C602-S605 VanDerWaalsContact O-N 3.14Å; C602-N608 WeakPolarHBondContact O-CB 3.16Å; C602-N608 PolarHBondContact O-ND2 2.95Å; C602-F612 HydrophobicContact CB-CE2 3.83Å; C602-F612 HydrophobicContact CB-CZ 3.92Å
603	S	98.2	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-5	178	-68.1	0	0	0	0	115	I599 W600 K601 S605 M606 V609 F612 Q642 F643	I599-S603 WeakPolarHBondContact O-CB 3.2Å; I599-S603 PolarHBondContact O-N 2.83Å; I599-S603 PolarHBondContact O-OG 3.19Å; W600-S603 WeakPolarHBondContact O-CB 3.02Å; W600-S603 PolarHBondContact O-N 3.11Å; K601-S603 VanDerWaalsContact C-N 3.3Å; K601-S603 PolarHBondContact O-N 3.12Å; S603-S605 PolarHBondContact O-N 3.48Å; S603-M606 WeakPolarHBondContact O-CE 3.12Å; S603-V609 VanDerWaalsContact O-CG2 3.25Å; S603-V609 WeakPolarHBondContact O-CG2 3.34Å; S603-F612 WeakPolarHBondContact OG-CD2 3.43Å; S603-F612 WeakPolarHBondContact OG-CE2 3.34Å; S603-Q642 WeakPolarHBondContact O-CB 3.44Å; S603-F643 WeakPolarHBondContact OG-CE2 3.48Å
604	I	97.1	Very high	97.3	Very high	61 Å²	61	28.9 Å²	28.9	31%	0.313	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.5	167.2	-63	171.2	0	0	0	110.6	K601 C602	K601-I604 HydrophobicContact CD-CD1 4.06Å; K601-I604 VanDerWaalsContact O-CB 3.32Å; K601-I604 WeakPolarHBondContact O-CB 3.28Å; K601-I604 VanDerWaalsContact O-CG1 3.29Å; K601-I604 WeakPolarHBondContact O-CG1 3.5Å; K601-I604 PolarHBondContact O-N 3.18Å; K601-I604 VanDerWaalsContact O-N 3.17Å; C602-I604 PolarHBondContact O-N 2.95Å; C602-I604 VanDerWaalsContact O-N 3.15Å
605	S	97.8	Very high	97.2	Very high	11 Å²	11	32.2 Å²	32.2	8%	0.077	16%	0.156	C	C	.	.	S	Bend	trans	-88.3	118.9	168.8	-170.9	0	0	0	0	110.7	C602 S603 E607 N608 V609	C602-S605 PolarHBondContact O-N 3.38Å; C602-S605 VanDerWaalsContact O-N 3.14Å; S603-S605 PolarHBondContact O-N 3.48Å; S605-E607 PolarHBondContact O-N 2.68Å; S605-N608 WeakPolarHBondContact O-CB 3.34Å; S605-N608 PolarHBondContact O-N 3.1Å; S605-V609 PolarHBondContact O-N 2.73Å; S605-V609 VanDerWaalsContact O-N 3.13Å
606	M	95.5	Very high	97.1	Very high	60 Å²	60	39.2 Å²	39.2	30%	0.296	19%	0.186	S	C	.	.	H	α-helix	trans	-63.9	-30	179.9	-60.6	-68.6	92.7	0	0	112.6	S603 N608 V609 A610 Q642 R645 I646	S603-M606 WeakPolarHBondContact O-CE 3.12Å; M606-N608 VanDerWaalsContact C-N 3.26Å; M606-N608 PolarHBondContact O-N 3.39Å; M606-V609 HydrophobicContact CE-CG2 3.9Å; M606-V609 WeakPolarHBondContact O-CB 3.29Å; M606-V609 PolarHBondContact O-N 2.95Å; M606-A610 PolarHBondContact O-N 2.85Å; M606-Q642 HydrophobicContact CE-CB 4.46Å; M606-R645 HydrophobicContact CE-CB 4.42Å; M606-R645 HydrophobicContact SD-CB 3.92Å; M606-I646 HydrophobicContact SD-CG1 4.4Å
607	E	96.3	Very high	97	Very high	105 Å²	105	39.2 Å²	39.2	49%	0.491	19%	0.186	S	C	.	.	H	α-helix	trans	-62.2	-33	172	-66	158.4	-157.1	0	0	112	R571 S605	R571-E607 IonicContact CZ-OE2 3.36Å; R571-E607 IonicContact NH1-OE2 3.71Å; R571-E607 PolarHBondContact NH1-OE2 2.76Å; R571-E607 IonicContact NH2-OE2 2.71Å; R571-E607 PolarHBondContact NH2-OE2 3.3Å; S605-E607 PolarHBondContact O-N 2.68Å
608	N	97.9	Very high	96.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-78.4	-33.8	175.3	-64.8	9.6	0	0	0	111	R567 R571 L576 C602 S605 M606 A610 I611 F612	R567-N608 PolarHBondContact O-ND2 3.05Å; R571-N608 WeakPolarHBondContact CD-OD1 3.32Å; R571-N608 PolarHBondContact NH1-OD1 2.92Å; L576-N608 HydrophobicContact CD1-CB 4Å; L576-N608 HydrophobicContact CD2-CB 4.34Å; C602-N608 WeakPolarHBondContact O-CB 3.16Å; C602-N608 PolarHBondContact O-ND2 2.95Å; S605-N608 WeakPolarHBondContact O-CB 3.34Å; S605-N608 PolarHBondContact O-N 3.1Å; M606-N608 VanDerWaalsContact C-N 3.26Å; M606-N608 PolarHBondContact O-N 3.39Å; N608-A610 VanDerWaalsContact C-N 3.33Å; N608-I611 PolarHBondContact O-N 2.95Å; N608-F612 HydrophobicContact CB-CE2 4.48Å; N608-F612 WeakPolarHBondContact O-CB 3.43Å; N608-F612 WeakPolarHBondContact O-CD2 3.34Å; N608-F612 WeakPolarHBondContact O-CG 3.31Å; N608-F612 PolarHBondContact O-N 3.49Å
609	V	97.3	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-43.5	172.4	178.9	0	0	0	0	110.9	S603 S605 M606 I611 F612 Q613 F643 I646	S603-V609 VanDerWaalsContact O-CG2 3.25Å; S603-V609 WeakPolarHBondContact O-CG2 3.34Å; S605-V609 PolarHBondContact O-N 2.73Å; S605-V609 VanDerWaalsContact O-N 3.13Å; M606-V609 HydrophobicContact CE-CG2 3.9Å; M606-V609 WeakPolarHBondContact O-CB 3.29Å; M606-V609 PolarHBondContact O-N 2.95Å; V609-I611 PolarHBondContact O-N 3.15Å; V609-F612 PolarHBondContact O-N 3.11Å; V609-Q613 WeakPolarHBondContact O-CG 3.49Å; V609-Q613 PolarHBondContact O-N 2.74Å; V609-F643 HydrophobicContact CG1-CB 4.38Å; V609-F643 HydrophobicContact CG1-CD1 3.63Å; V609-F643 HydrophobicContact CG1-CD2 4.33Å; V609-F643 HydrophobicContact CG1-CE1 3.98Å; V609-F643 HydrophobicContact CG1-CG 3.84Å; V609-F643 HydrophobicContact CG1-CZ 4.5Å; V609-I646 HydrophobicContact CB-CD1 4.14Å; V609-I646 HydrophobicContact CG1-CD1 3.58Å; V609-I646 HydrophobicContact CG1-CG1 4.42Å
610	A	95.3	Very high	96.7	Very high	39 Å²	39	46.7 Å²	46.7	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-55.1	-51.8	176.7	0	0	0	0	0	112.1	M606 N608 F612 Q613 E614	M606-A610 PolarHBondContact O-N 2.85Å; N608-A610 VanDerWaalsContact C-N 3.33Å; A610-F612 VanDerWaalsContact C-N 3.33Å; A610-F612 PolarHBondContact O-N 2.82Å; A610-Q613 WeakPolarHBondContact O-CB 3.42Å; A610-Q613 PolarHBondContact O-N 3.04Å; A610-E614 PolarHBondContact O-N 3.22Å
611	I	96.6	Very high	96.6	Very high	39 Å²	39	44.5 Å²	44.5	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-35.7	178.6	-64.5	166.2	0	0	0	111.5	R571 L576 N608 V609 Q613 E614 Y615	R571-I611 VanDerWaalsContact CD-CD1 3.48Å; R571-I611 HydrophobicContact CG-CD1 3.69Å; L576-I611 HydrophobicContact CB-CG2 4.34Å; L576-I611 HydrophobicContact CD1-CB 3.92Å; L576-I611 HydrophobicContact CD1-CD1 4.17Å; L576-I611 HydrophobicContact CD1-CG2 3.8Å; N608-I611 PolarHBondContact O-N 2.95Å; V609-I611 PolarHBondContact O-N 3.15Å; I611-Q613 VanDerWaalsContact C-N 3.28Å; I611-Q613 PolarHBondContact O-N 3.21Å; I611-E614 WeakPolarHBondContact O-CB 3.41Å; I611-E614 PolarHBondContact O-N 3.24Å; I611-Y615 HydrophobicContact CG2-CD2 4.13Å; I611-Y615 HydrophobicContact CG2-CE2 3.38Å; I611-Y615 WeakPolarHBondContact O-CD2 3.49Å; I611-Y615 PolarHBondContact O-N 3.06Å
612	F	98	Very high	96.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-26.6	173.2	-74.4	-46.8	0	0	0	113.5	L576 V580 I599 C602 S603 N608 V609 A610 Y615 K616 A617 F643	L576-F612 HydrophobicContact CB-CD1 4.06Å; L576-F612 HydrophobicContact CB-CE1 3.7Å; L576-F612 HydrophobicContact CB-CZ 4.32Å; L576-F612 HydrophobicContact CD2-CE1 3.83Å; L576-F612 HydrophobicContact CD2-CE2 4.08Å; L576-F612 HydrophobicContact CD2-CZ 3.52Å; L576-F612 HydrophobicContact CG-CE1 4.27Å; L576-F612 HydrophobicContact CG-CZ 4.42Å; V580-F612 HydrophobicContact CG2-CD1 3.54Å; V580-F612 HydrophobicContact CG2-CE1 3.83Å; I599-F612 HydrophobicContact CB-CE2 4.46Å; I599-F612 HydrophobicContact CB-CZ 4.11Å; I599-F612 HydrophobicContact CG1-CE1 3.99Å; I599-F612 HydrophobicContact CG1-CZ 3.87Å; I599-F612 HydrophobicContact CG2-CD2 4.3Å; I599-F612 HydrophobicContact CG2-CE1 4.37Å; I599-F612 HydrophobicContact CG2-CE2 3.91Å; I599-F612 HydrophobicContact CG2-CZ 3.94Å; C602-F612 HydrophobicContact CB-CE2 3.83Å; C602-F612 HydrophobicContact CB-CZ 3.92Å; S603-F612 WeakPolarHBondContact OG-CD2 3.43Å; S603-F612 WeakPolarHBondContact OG-CE2 3.34Å; N608-F612 HydrophobicContact CB-CE2 4.48Å; N608-F612 WeakPolarHBondContact O-CB 3.43Å; N608-F612 WeakPolarHBondContact O-CD2 3.34Å; N608-F612 WeakPolarHBondContact O-CG 3.31Å; N608-F612 PolarHBondContact O-N 3.49Å; V609-F612 PolarHBondContact O-N 3.11Å; A610-F612 VanDerWaalsContact C-N 3.33Å; A610-F612 PolarHBondContact O-N 2.82Å; F612-Y615 PolarHBondContact O-N 3.34Å; F612-K616 PolarHBondContact O-N 3.14Å; F612-A617 HydrophobicContact CB-CB 3.95Å; F612-A617 HydrophobicContact CD1-CB 4.46Å; F612-A617 HydrophobicContact CG-CB 4.5Å; F612-A617 VanDerWaalsContact O-CB 3.22Å; F612-A617 WeakPolarHBondContact O-CB 3.47Å; F612-A617 PolarHBondContact O-N 3.36Å; F612-F643 HydrophobicContact CB-CE1 4.05Å; F612-F643 HydrophobicContact CB-CZ 3.6Å; F612-F643 HydrophobicContact CD2-CZ 4.25Å; F612-F643 HydrophobicContact CG-CZ 4.27Å
613	Q	93.8	Very high	96.4	Very high	60 Å²	60	46 Å²	46	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-67.8	-39.9	171.8	-66.6	168.2	-81.6	0	0	111.3	V609 A610 I611 Y615 K616 F643 N649	V609-Q613 WeakPolarHBondContact O-CG 3.49Å; V609-Q613 PolarHBondContact O-N 2.74Å; A610-Q613 WeakPolarHBondContact O-CB 3.42Å; A610-Q613 PolarHBondContact O-N 3.04Å; I611-Q613 VanDerWaalsContact C-N 3.28Å; I611-Q613 PolarHBondContact O-N 3.21Å; Q613-Y615 PolarHBondContact O-N 3.27Å; Q613-K616 PolarHBondContact O-N 3.19Å; Q613-F643 HydrophobicContact CG-CD1 4.41Å; Q613-F643 HydrophobicContact CG-CE1 4.27Å; Q613-N649 PolarHBondContact NE2-OD1 3.25Å
614	E	95.1	Very high	96.2	Very high	139 Å²	139	46.6 Å²	46.6	65%	0.65	24%	0.239	S	C	*	.	H	α-helix	trans	-58.5	-38.6	175.7	-61.1	172.7	-161.6	0	0	111.5	A610 I611 K616	A610-E614 PolarHBondContact O-N 3.22Å; I611-E614 WeakPolarHBondContact O-CB 3.41Å; I611-E614 PolarHBondContact O-N 3.24Å; E614-K616 VanDerWaalsContact C-N 3.25Å; E614-K616 PolarHBondContact O-N 3.18Å
615	Y	96.3	Very high	96.1	Very high	77 Å²	77	43.9 Å²	43.9	30%	0.302	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	10.8	175.1	-51.6	-35.1	0	0	0	114.4	L576 Q577 I611 F612 Q613 A617	L576-Y615 HydrophobicContact CB-CE2 4.15Å; Q577-Y615 HydrophobicContact CB-CD2 3.96Å; Q577-Y615 HydrophobicContact CB-CE1 4.23Å; Q577-Y615 HydrophobicContact CB-CE2 3.55Å; Q577-Y615 HydrophobicContact CB-CG 4.46Å; Q577-Y615 HydrophobicContact CG-CD1 4.41Å; Q577-Y615 HydrophobicContact CG-CD2 4.49Å; Q577-Y615 HydrophobicContact CG-CE1 4.3Å; Q577-Y615 HydrophobicContact CG-CE2 4.37Å; I611-Y615 HydrophobicContact CG2-CD2 4.13Å; I611-Y615 HydrophobicContact CG2-CE2 3.38Å; I611-Y615 WeakPolarHBondContact O-CD2 3.49Å; I611-Y615 PolarHBondContact O-N 3.06Å; F612-Y615 PolarHBondContact O-N 3.34Å; Q613-Y615 PolarHBondContact O-N 3.27Å; Y615-A617 PolarHBondContact O-N 2.89Å; Y615-A617 VanDerWaalsContact O-N 3.16Å
616	K	95.5	Very high	95.7	Very high	147 Å²	147	47.1 Å²	47.1	64%	0.639	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	23.8	178.9	-53.2	177.7	-177.2	175.7	0	114.7	F612 Q613 E614 L618 Q619 I620	F612-K616 PolarHBondContact O-N 3.14Å; Q613-K616 PolarHBondContact O-N 3.19Å; E614-K616 VanDerWaalsContact C-N 3.25Å; E614-K616 PolarHBondContact O-N 3.18Å; K616-L618 PolarHBondContact O-N 2.91Å; K616-Q619 PolarHBondContact O-N 3.36Å; K616-Q619 PolarHBondContact O-OE1 2.88Å; K616-I620 PolarHBondContact O-N 3.09Å
617	A	96.9	Very high	95.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.1	-33	-176.4	0	0	0	0	0	112.3	V580 F612 Y615 Q619 I620 L621 F643	V580-A617 HydrophobicContact CG1-CB 4.16Å; V580-A617 HydrophobicContact CG2-CB 3.69Å; F612-A617 HydrophobicContact CB-CB 3.95Å; F612-A617 HydrophobicContact CD1-CB 4.46Å; F612-A617 HydrophobicContact CG-CB 4.5Å; F612-A617 VanDerWaalsContact O-CB 3.22Å; F612-A617 WeakPolarHBondContact O-CB 3.47Å; F612-A617 PolarHBondContact O-N 3.36Å; Y615-A617 PolarHBondContact O-N 2.89Å; Y615-A617 VanDerWaalsContact O-N 3.16Å; A617-Q619 PolarHBondContact O-N 2.91Å; A617-I620 PolarHBondContact O-N 3.38Å; A617-L621 WeakPolarHBondContact O-CB 3.44Å; A617-L621 VanDerWaalsContact O-CG 3.22Å; A617-L621 WeakPolarHBondContact O-CG 3.44Å; A617-L621 PolarHBondContact O-N 2.95Å; A617-F643 HydrophobicContact CB-CZ 4.19Å
618	L	96.4	Very high	95.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-59.5	-46.5	178.9	179.9	54.7	0	0	0	112.2	K616 I620 L621 I622 L640 F643 N649 I652 I653	K616-L618 PolarHBondContact O-N 2.91Å; L618-I620 VanDerWaalsContact C-N 3.34Å; L618-L621 PolarHBondContact O-N 2.77Å; L618-I622 HydrophobicContact CD1-CD1 4.03Å; L618-I622 HydrophobicContact CD1-CG1 4.34Å; L618-I622 HydrophobicContact CG-CD1 4.02Å; L618-I622 WeakPolarHBondContact O-CD1 3.09Å; L618-I622 VanDerWaalsContact O-CG1 3.27Å; L618-I622 WeakPolarHBondContact O-CG1 3.48Å; L618-I622 PolarHBondContact O-N 3.29Å; L618-L640 HydrophobicContact CD1-CD2 3.4Å; L618-F643 HydrophobicContact CB-CD1 3.89Å; L618-F643 HydrophobicContact CB-CE1 3.91Å; L618-F643 HydrophobicContact CD1-CB 4.05Å; L618-F643 HydrophobicContact CD1-CD1 3.93Å; L618-F643 HydrophobicContact CD1-CG 4.1Å; L618-F643 HydrophobicContact CD2-CD1 4.27Å; L618-F643 HydrophobicContact CG-CD1 4.26Å; L618-N649 HydrophobicContact CD2-CB 3.79Å; L618-N649 WeakPolarHBondContact CD2-OD1 3.44Å; L618-I652 HydrophobicContact CD2-CB 3.94Å; L618-I652 HydrophobicContact CD2-CD1 4.23Å; L618-I652 HydrophobicContact CD2-CG2 3.67Å; L618-I652 HydrophobicContact CG-CG2 4.1Å; L618-I653 HydrophobicContact CD1-CD1 4.15Å; L618-I653 HydrophobicContact CD1-CG1 3.83Å
619	Q	95.4	Very high	95.1	Very high	94 Å²	94	52.8 Å²	52.8	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-38.1	-179.8	-67.4	75.9	14.2	0	0	111.3	K616 A617 I622 G623	K616-Q619 PolarHBondContact O-N 3.36Å; K616-Q619 PolarHBondContact O-OE1 2.88Å; A617-Q619 PolarHBondContact O-N 2.91Å; Q619-I622 PolarHBondContact O-N 3.48Å; Q619-G623 PolarHBondContact O-N 3.25Å; Q619-G623 VanDerWaalsContact O-N 3.14Å
620	I	96.4	Very high	94.9	Very high	63 Å²	63	56.8 Å²	56.8	32%	0.323	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-46.7	175.3	-57.2	167.6	0	0	0	110.2	V580 L583 K616 A617 L618 I622 G623 L624	V580-I620 HydrophobicContact CG1-CD1 3.92Å; L583-I620 HydrophobicContact CB-CG2 3.73Å; L583-I620 HydrophobicContact CD1-CB 4.24Å; L583-I620 HydrophobicContact CD1-CG2 3.71Å; L583-I620 HydrophobicContact CG-CG2 4.39Å; K616-I620 PolarHBondContact O-N 3.09Å; A617-I620 PolarHBondContact O-N 3.38Å; L618-I620 VanDerWaalsContact C-N 3.34Å; I620-I622 VanDerWaalsContact C-N 3.34Å; I620-I622 PolarHBondContact O-N 2.79Å; I620-G623 WeakPolarHBondContact O-CA 3.23Å; I620-G623 PolarHBondContact O-N 3.18Å; I620-G623 VanDerWaalsContact O-N 3.11Å; I620-L624 HydrophobicContact CG2-CD1 4.24Å; I620-L624 WeakPolarHBondContact O-CG 3.44Å; I620-L624 PolarHBondContact O-N 2.92Å; I620-L624 VanDerWaalsContact O-N 3.13Å
621	L	96.9	Very high	94.9	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-38.5	177.7	-72.1	169.2	0	0	0	112.6	L583 T596 I599 A617 L618 G623 L624 V636 A639 L640 F643	L583-L621 HydrophobicContact CD1-CD2 4.41Å; T596-L621 HydrophobicContact CG2-CD2 4.27Å; I599-L621 HydrophobicContact CG2-CD1 4.19Å; A617-L621 WeakPolarHBondContact O-CB 3.44Å; A617-L621 VanDerWaalsContact O-CG 3.22Å; A617-L621 WeakPolarHBondContact O-CG 3.44Å; A617-L621 PolarHBondContact O-N 2.95Å; L618-L621 PolarHBondContact O-N 2.77Å; L621-G623 VanDerWaalsContact C-N 3.33Å; L621-L624 PolarHBondContact O-N 3.19Å; L621-L624 VanDerWaalsContact O-N 3.16Å; L621-V636 HydrophobicContact CB-CG1 4.36Å; L621-V636 HydrophobicContact CD2-CB 4.41Å; L621-V636 HydrophobicContact CD2-CG1 4.29Å; L621-V636 HydrophobicContact CD2-CG2 4.01Å; L621-V636 WeakPolarHBondContact O-CG1 3.26Å; L621-A639 HydrophobicContact CD1-CB 3.86Å; L621-A639 HydrophobicContact CD2-CB 4.41Å; L621-L640 HydrophobicContact CB-CD2 3.84Å; L621-L640 HydrophobicContact CB-CG 4.23Å; L621-F643 HydrophobicContact CD1-CD2 4.4Å; L621-F643 HydrophobicContact CD1-CE2 3.79Å; L621-F643 HydrophobicContact CD1-CZ 4.15Å
622	I	96.1	Very high	94.9	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-41.8	173.6	-67.5	160.9	0	0	0	110.6	L618 Q619 I620 L624 L625 L640 I652 I653 G656	L618-I622 HydrophobicContact CD1-CD1 4.03Å; L618-I622 HydrophobicContact CD1-CG1 4.34Å; L618-I622 HydrophobicContact CG-CD1 4.02Å; L618-I622 WeakPolarHBondContact O-CD1 3.09Å; L618-I622 VanDerWaalsContact O-CG1 3.27Å; L618-I622 WeakPolarHBondContact O-CG1 3.48Å; L618-I622 PolarHBondContact O-N 3.29Å; Q619-I622 PolarHBondContact O-N 3.48Å; I620-I622 VanDerWaalsContact C-N 3.34Å; I620-I622 PolarHBondContact O-N 2.79Å; I622-L624 PolarHBondContact O-N 3.18Å; I622-L625 WeakPolarHBondContact O-CB 3.42Å; I622-L625 PolarHBondContact O-N 2.78Å; I622-L640 HydrophobicContact CG1-CD2 4.01Å; I622-I652 HydrophobicContact CD1-CG2 4.27Å; I622-I653 HydrophobicContact CD1-CG1 4.11Å; I622-I653 HydrophobicContact CG1-CG1 4.46Å; I622-G656 VanDerWaalsContact CG2-O 3.31Å; I622-G656 WeakPolarHBondContact CG2-O 3.43Å
623	G	94.8	Very high	94.8	Very high	51 Å²	51	59.7 Å²	59.7	53%	0.526	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-17.4	174.7	0	0	0	0	0	115	Q619 I620 L621	Q619-G623 PolarHBondContact O-N 3.25Å; Q619-G623 VanDerWaalsContact O-N 3.14Å; I620-G623 WeakPolarHBondContact O-CA 3.23Å; I620-G623 PolarHBondContact O-N 3.18Å; I620-G623 VanDerWaalsContact O-N 3.11Å; L621-G623 VanDerWaalsContact C-N 3.33Å
624	L	95.7	Very high	95	Very high	12 Å²	12	57.8 Å²	57.8	6%	0.063	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6.3	177.2	-66.3	173.6	0	0	0	113.8	L583 L592 T596 I620 L621 I622 T626 Q628 L633 V636	L583-L624 HydrophobicContact CD2-CD1 4.3Å; L592-L624 HydrophobicContact CD1-CD1 3.95Å; L592-L624 HydrophobicContact CD1-CD2 4.45Å; L592-L624 HydrophobicContact CD2-CD2 4.16Å; T596-L624 HydrophobicContact CG2-CD1 4.18Å; I620-L624 HydrophobicContact CG2-CD1 4.24Å; I620-L624 WeakPolarHBondContact O-CG 3.44Å; I620-L624 PolarHBondContact O-N 2.92Å; I620-L624 VanDerWaalsContact O-N 3.13Å; L621-L624 PolarHBondContact O-N 3.19Å; L621-L624 VanDerWaalsContact O-N 3.16Å; I622-L624 PolarHBondContact O-N 3.18Å; L624-T626 PolarHBondContact O-N 2.88Å; L624-Q628 HydrophobicContact CB-CG 4.46Å; L624-Q628 HydrophobicContact CD2-CG 4.33Å; L624-Q628 VanDerWaalsContact O-CG 3.28Å; L624-Q628 WeakPolarHBondContact O-CG 3.41Å; L624-L633 WeakPolarHBondContact O-CD2 3.42Å; L624-V636 HydrophobicContact CB-CG1 4.3Å; L624-V636 HydrophobicContact CB-CG2 3.88Å; L624-V636 HydrophobicContact CD1-CG2 4.39Å
625	L	94.1	Very high	95.1	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.264	C	S	.	.	S	Bend	trans	-74.6	-8.7	176.4	-76.5	171.8	0	0	0	114.4	I622 V636 V637 L640 A661 L662 L665	I622-L625 WeakPolarHBondContact O-CB 3.42Å; I622-L625 PolarHBondContact O-N 2.78Å; L625-V636 HydrophobicContact CD2-CG1 3.97Å; L625-V636 HydrophobicContact CG-CG1 4.23Å; L625-V637 HydrophobicContact CD2-CG2 3.61Å; L625-L640 HydrophobicContact CD1-CD1 3.72Å; L625-L640 HydrophobicContact CD2-CD1 3.75Å; L625-L640 HydrophobicContact CG-CD1 3.84Å; L625-A661 HydrophobicContact CB-CB 3.8Å; L625-A661 HydrophobicContact CD1-CB 3.98Å; L625-A661 HydrophobicContact CG-CB 4.49Å; L625-L662 HydrophobicContact CD2-CD2 4.13Å; L625-L665 HydrophobicContact CD2-CD1 4.22Å
626	T	89.2	Confident	95.2	Very high	79 Å²	79	47.9 Å²	47.9	49%	0.485	25%	0.25	S	C	.	.	S	Bend	trans	-128.1	147.2	-176.8	50.2	0	0	0	0	111.5	L624 Q628 A661	L624-T626 PolarHBondContact O-N 2.88Å; T626-Q628 VanDerWaalsContact C-N 3.26Å; T626-Q628 PolarHBondContact O-N 3.48Å; T626-Q628 PolarHBondContact O-NE2 3.15Å; T626-Q628 VanDerWaalsContact O-NE2 3.16Å; T626-A661 HydrophobicContact CG2-CB 4.49Å
627	E	88.2	Confident	95.3	Very high	189 Å²	189	40.9 Å²	40.9	88%	0.883	22%	0.219	S	C	*	.	S	Bend	trans	58.3	31.3	173.4	-55.8	-177	173.2	0	0	114.6
628	Q	94.3	Very high	95.3	Very high	36 Å²	36	41 Å²	41	17%	0.168	22%	0.221	C	C	.	.			trans	-116.2	154.1	173.9	-54	-45.8	-46	0	0	111.5	L624 T626 V632 L633	L624-Q628 HydrophobicContact CB-CG 4.46Å; L624-Q628 HydrophobicContact CD2-CG 4.33Å; L624-Q628 VanDerWaalsContact O-CG 3.28Å; L624-Q628 WeakPolarHBondContact O-CG 3.41Å; T626-Q628 VanDerWaalsContact C-N 3.26Å; T626-Q628 PolarHBondContact O-N 3.48Å; T626-Q628 PolarHBondContact O-NE2 3.15Å; T626-Q628 VanDerWaalsContact O-NE2 3.16Å; Q628-V632 HydrophobicContact CB-CB 4.02Å; Q628-V632 HydrophobicContact CB-CG1 3.84Å; Q628-V632 HydrophobicContact CG-CG1 4.05Å; Q628-L633 HydrophobicContact CB-CD2 4.06Å; Q628-L633 HydrophobicContact CB-CG 4.16Å; Q628-L633 WeakPolarHBondContact O-CD1 3.26Å
629	P	94.8	Very high	95.4	Very high	59 Å²	59	41 Å²	41	38%	0.383	22%	0.221	S	C	.	.			trans	-66	156.2	172.7	28.8	-35.8	0	0	0	111.7	K589 E631 V632 L633	K589-P629 HydrophobicContact CB-CG 4.21Å; K589-P629 HydrophobicContact CG-CG 4.46Å; P629-E631 VanDerWaalsContact C-N 3.28Å; P629-E631 PolarHBondContact O-N 2.87Å; P629-E631 VanDerWaalsContact O-N 3.16Å; P629-V632 HydrophobicContact CG-CB 4.33Å; P629-V632 HydrophobicContact CG-CG2 3.87Å; P629-V632 WeakPolarHBondContact O-CB 3.29Å; P629-V632 PolarHBondContact O-N 3.25Å; P629-L633 PolarHBondContact O-N 3.13Å; P629-L633 VanDerWaalsContact O-N 3.12Å
630	E	94.3	Very high	95.4	Very high	84 Å²	84	36.6 Å²	36.6	39%	0.393	20%	0.201	S	C	.	.	H	α-helix	trans	-57.9	-34.4	-172.1	-62.6	-165.6	137.4	0	0	114.1	V632 L633 V634 N670	E630-V632 VanDerWaalsContact C-N 3.35Å; E630-V632 PolarHBondContact O-N 2.81Å; E630-L633 PolarHBondContact O-N 3.14Å; E630-V634 VanDerWaalsContact O-CG2 3.25Å; E630-V634 WeakPolarHBondContact O-CG2 3.36Å; E630-V634 PolarHBondContact O-N 3.08Å; E630-N670 WeakPolarHBondContact OE1-CB 3.36Å; E630-N670 WeakPolarHBondContact OE2-CB 3.31Å; E630-N670 PolarHBondContact OE2-ND2 3.37Å
631	E	94.1	Very high	95.4	Very high	127 Å²	127	34.1 Å²	34.1	59%	0.593	19%	0.19	S	C	*	.	H	α-helix	trans	-60.5	-43	176.9	-169.8	-174.7	-175.3	0	0	112.2	A593 P629 N635	A593-E631 HydrophobicContact CB-CG 4.02Å; P629-E631 VanDerWaalsContact C-N 3.28Å; P629-E631 PolarHBondContact O-N 2.87Å; P629-E631 VanDerWaalsContact O-N 3.16Å; E631-N635 PolarHBondContact O-N 2.88Å; E631-N635 PolarHBondContact O-ND2 2.92Å
632	V	96.9	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-45.7	173.9	175.1	0	0	0	0	109.7	L592 A593 T596 Q628 P629 E630 V634 N635 V636	L592-V632 HydrophobicContact CB-CG2 4.38Å; L592-V632 HydrophobicContact CD2-CG1 4.01Å; L592-V632 HydrophobicContact CD2-CG2 4.24Å; L592-V632 HydrophobicContact CG-CG1 4.09Å; L592-V632 HydrophobicContact CG-CG2 4.21Å; A593-V632 HydrophobicContact CB-CG2 3.87Å; T596-V632 HydrophobicContact CG2-CG1 4.41Å; Q628-V632 HydrophobicContact CB-CB 4.02Å; Q628-V632 HydrophobicContact CB-CG1 3.84Å; Q628-V632 HydrophobicContact CG-CG1 4.05Å; P629-V632 HydrophobicContact CG-CB 4.33Å; P629-V632 HydrophobicContact CG-CG2 3.87Å; P629-V632 WeakPolarHBondContact O-CB 3.29Å; P629-V632 PolarHBondContact O-N 3.25Å; E630-V632 VanDerWaalsContact C-N 3.35Å; E630-V632 PolarHBondContact O-N 2.81Å; V632-V634 PolarHBondContact O-N 2.74Å; V632-N635 PolarHBondContact O-N 3.43Å; V632-V636 HydrophobicContact CG1-CG2 3.88Å; V632-V636 WeakPolarHBondContact O-CB 3.35Å; V632-V636 VanDerWaalsContact O-CG2 3.24Å; V632-V636 WeakPolarHBondContact O-CG2 3.36Å; V632-V636 PolarHBondContact O-N 2.94Å
633	L	96.8	Very high	95.4	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.068	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-41.8	-179.7	-65.1	173.5	0	0	0	112.4	L624 Q628 P629 E630 N635 V636 V637 L665 L673	L624-L633 WeakPolarHBondContact O-CD2 3.42Å; Q628-L633 HydrophobicContact CB-CD2 4.06Å; Q628-L633 HydrophobicContact CB-CG 4.16Å; Q628-L633 WeakPolarHBondContact O-CD1 3.26Å; P629-L633 PolarHBondContact O-N 3.13Å; P629-L633 VanDerWaalsContact O-N 3.12Å; E630-L633 PolarHBondContact O-N 3.14Å; L633-N635 VanDerWaalsContact C-N 3.27Å; L633-N635 PolarHBondContact O-N 3.36Å; L633-V636 PolarHBondContact O-N 3.37Å; L633-V637 VanDerWaalsContact O-CB 3.26Å; L633-V637 WeakPolarHBondContact O-CB 3.34Å; L633-V637 WeakPolarHBondContact O-CG2 2.91Å; L633-V637 PolarHBondContact O-N 2.93Å; L633-L665 HydrophobicContact CD1-CD2 3.94Å; L633-L665 HydrophobicContact CD2-CD1 4.46Å; L633-L673 HydrophobicContact CB-CD1 3.83Å; L633-L673 HydrophobicContact CB-CD2 4.23Å; L633-L673 HydrophobicContact CD1-CD2 4.44Å
634	V	97.2	Very high	95.4	Very high	20 Å²	20	32.8 Å²	32.8	12%	0.121	17%	0.17	C	C	.	.	H	α-helix	trans	-55.4	-46	175.4	167.2	0	0	0	0	110.4	W600 E630 V632 G638 A672 L673 N676	W600-V634 HydrophobicContact CZ3-CG1 4.26Å; E630-V634 VanDerWaalsContact O-CG2 3.25Å; E630-V634 WeakPolarHBondContact O-CG2 3.36Å; E630-V634 PolarHBondContact O-N 3.08Å; V632-V634 PolarHBondContact O-N 2.74Å; V634-G638 PolarHBondContact O-N 2.85Å; V634-A672 HydrophobicContact CG1-CB 4.45Å; V634-A672 HydrophobicContact CG2-CB 4.26Å; V634-L673 HydrophobicContact CG2-CB 3.78Å; V634-L673 HydrophobicContact CG2-CD1 4.25Å; V634-N676 PolarHBondContact O-ND2 3.44Å
635	N	97.6	Very high	95.1	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-73.2	-45.4	-178.6	-70.4	-19.3	0	0	0	112.4	A593 T596 G597 W600 E631 V632 L633 G638 A639	A593-N635 PolarHBondContact O-ND2 3.44Å; T596-N635 WeakPolarHBondContact OG1-CB 3.36Å; G597-N635 WeakPolarHBondContact CA-ND2 3.36Å; G597-N635 PolarHBondContact N-ND2 3.07Å; W600-N635 HydrophobicContact CE3-CB 4.43Å; W600-N635 VanDerWaalsContact CE3-OD1 3.31Å; W600-N635 WeakPolarHBondContact CZ3-OD1 3.25Å; E631-N635 PolarHBondContact O-N 2.88Å; E631-N635 PolarHBondContact O-ND2 2.92Å; V632-N635 PolarHBondContact O-N 3.43Å; L633-N635 VanDerWaalsContact C-N 3.27Å; L633-N635 PolarHBondContact O-N 3.36Å; N635-G638 PolarHBondContact O-N 3.43Å; N635-A639 WeakPolarHBondContact O-CB 3.36Å; N635-A639 PolarHBondContact O-N 2.95Å
636	V	97.8	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-51	177.2	168.1	0	0	0	0	111	T596 L621 L624 L625 V632 L633 G638 A639 L640	T596-V636 HydrophobicContact CG2-CG2 3.63Å; L621-V636 HydrophobicContact CB-CG1 4.36Å; L621-V636 HydrophobicContact CD2-CB 4.41Å; L621-V636 HydrophobicContact CD2-CG1 4.29Å; L621-V636 HydrophobicContact CD2-CG2 4.01Å; L621-V636 WeakPolarHBondContact O-CG1 3.26Å; L624-V636 HydrophobicContact CB-CG1 4.3Å; L624-V636 HydrophobicContact CB-CG2 3.88Å; L624-V636 HydrophobicContact CD1-CG2 4.39Å; L625-V636 HydrophobicContact CD2-CG1 3.97Å; L625-V636 HydrophobicContact CG-CG1 4.23Å; V632-V636 HydrophobicContact CG1-CG2 3.88Å; V632-V636 WeakPolarHBondContact O-CB 3.35Å; V632-V636 VanDerWaalsContact O-CG2 3.24Å; V632-V636 WeakPolarHBondContact O-CG2 3.36Å; V632-V636 PolarHBondContact O-N 2.94Å; L633-V636 PolarHBondContact O-N 3.37Å; V636-G638 VanDerWaalsContact C-N 3.33Å; V636-G638 PolarHBondContact O-N 2.73Å; V636-A639 WeakPolarHBondContact O-CB 3.23Å; V636-A639 PolarHBondContact O-N 2.93Å; V636-L640 HydrophobicContact CG1-CD1 4.05Å; V636-L640 WeakPolarHBondContact O-CG 3.45Å; V636-L640 PolarHBondContact O-N 2.93Å
637	V	97.6	Very high	95	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-39.7	178.3	175.5	0	0	0	0	111	L625 L633 A639 L640 G641 L662 L665 L673 N676 V677 A680	L625-V637 HydrophobicContact CD2-CG2 3.61Å; L633-V637 VanDerWaalsContact O-CB 3.26Å; L633-V637 WeakPolarHBondContact O-CB 3.34Å; L633-V637 WeakPolarHBondContact O-CG2 2.91Å; L633-V637 PolarHBondContact O-N 2.93Å; V637-A639 VanDerWaalsContact C-N 3.33Å; V637-A639 PolarHBondContact O-N 3.29Å; V637-L640 PolarHBondContact O-N 3.33Å; V637-G641 PolarHBondContact O-N 2.76Å; V637-L662 HydrophobicContact CB-CD2 4.27Å; V637-L662 HydrophobicContact CG1-CD2 3.64Å; V637-L662 HydrophobicContact CG2-CD2 3.75Å; V637-L665 HydrophobicContact CG2-CD1 3.83Å; V637-L673 HydrophobicContact CB-CD1 4.46Å; V637-L673 HydrophobicContact CG2-CD1 4.11Å; V637-N676 HydrophobicContact CB-CB 4.43Å; V637-N676 VanDerWaalsContact CG1-C 3.45Å; V637-N676 HydrophobicContact CG1-CB 3.97Å; V637-V677 HydrophobicContact CG1-CB 4.24Å; V637-V677 HydrophobicContact CG1-CG2 3.79Å; V637-V677 HydrophobicContact CG2-CG2 4.2Å; V637-A680 HydrophobicContact CG1-CB 3.89Å
638	G	97	Very high	95.1	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-43.9	173.5	0	0	0	0	0	112.6	W600 V634 N635 V636 Q642	W600-G638 VanDerWaalsContact NE1-C 3.26Å; W600-G638 PolarHBondContact NE1-O 3.37Å; W600-G638 VanDerWaalsContact NE1-O 3.15Å; V634-G638 PolarHBondContact O-N 2.85Å; N635-G638 PolarHBondContact O-N 3.43Å; V636-G638 VanDerWaalsContact C-N 3.33Å; V636-G638 PolarHBondContact O-N 2.73Å; G638-Q642 PolarHBondContact O-N 3.23Å
639	A	97.6	Very high	95	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-53	174.7	0	0	0	0	0	110.9	I599 W600 L621 N635 V636 V637 G641 Q642 F643	I599-A639 HydrophobicContact CG2-CB 4.48Å; W600-A639 HydrophobicContact CB-CB 3.93Å; W600-A639 VanDerWaalsContact CD1-N 3.34Å; L621-A639 HydrophobicContact CD1-CB 3.86Å; L621-A639 HydrophobicContact CD2-CB 4.41Å; N635-A639 WeakPolarHBondContact O-CB 3.36Å; N635-A639 PolarHBondContact O-N 2.95Å; V636-A639 WeakPolarHBondContact O-CB 3.23Å; V636-A639 PolarHBondContact O-N 2.93Å; V637-A639 VanDerWaalsContact C-N 3.33Å; V637-A639 PolarHBondContact O-N 3.29Å; A639-G641 PolarHBondContact O-N 3.48Å; A639-Q642 WeakPolarHBondContact O-CA 3.45Å; A639-Q642 WeakPolarHBondContact O-CB 3.26Å; A639-Q642 PolarHBondContact O-N 3.22Å; A639-F643 WeakPolarHBondContact O-CD2 3.36Å; A639-F643 PolarHBondContact O-N 3.24Å
640	L	97.3	Very high	94.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-56.2	-37.6	179.5	-68.2	172.7	0	0	0	112.4	L618 L621 I622 L625 V636 V637 Q642 F643 A644 I653	L618-L640 HydrophobicContact CD1-CD2 3.4Å; L621-L640 HydrophobicContact CB-CD2 3.84Å; L621-L640 HydrophobicContact CB-CG 4.23Å; I622-L640 HydrophobicContact CG1-CD2 4.01Å; L625-L640 HydrophobicContact CD1-CD1 3.72Å; L625-L640 HydrophobicContact CD2-CD1 3.75Å; L625-L640 HydrophobicContact CG-CD1 3.84Å; V636-L640 HydrophobicContact CG1-CD1 4.05Å; V636-L640 WeakPolarHBondContact O-CG 3.45Å; V636-L640 PolarHBondContact O-N 2.93Å; V637-L640 PolarHBondContact O-N 3.33Å; L640-Q642 PolarHBondContact O-N 3.01Å; L640-F643 PolarHBondContact O-N 3.02Å; L640-F643 VanDerWaalsContact O-N 3.16Å; L640-A644 WeakPolarHBondContact O-CB 3.16Å; L640-A644 PolarHBondContact O-N 3.47Å; L640-I653 HydrophobicContact CD2-CD1 4.43Å; L640-I653 HydrophobicContact CD2-CG1 4.39Å
641	G	95.4	Very high	94.5	Very high	10 Å²	10	29 Å²	29	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-22.7	172.6	0	0	0	0	0	114.8	V637 A639	V637-G641 PolarHBondContact O-N 2.76Å; A639-G641 PolarHBondContact O-N 3.48Å
642	Q	96.2	Very high	94.4	Very high	41 Å²	41	25.7 Å²	25.7	19%	0.192	14%	0.144	C	C	.	.	H	α-helix	trans	-83.3	-41.8	166.9	-61.4	-50	-56.7	0	0	112.3	S603 M606 G638 A639 L640 A644 R645	S603-Q642 WeakPolarHBondContact O-CB 3.44Å; M606-Q642 HydrophobicContact CE-CB 4.46Å; G638-Q642 PolarHBondContact O-N 3.23Å; A639-Q642 WeakPolarHBondContact O-CA 3.45Å; A639-Q642 WeakPolarHBondContact O-CB 3.26Å; A639-Q642 PolarHBondContact O-N 3.22Å; L640-Q642 PolarHBondContact O-N 3.01Å; Q642-A644 VanDerWaalsContact C-N 3.3Å; Q642-A644 PolarHBondContact O-N 3.42Å; Q642-R645 VanDerWaalsContact O-CB 3.29Å; Q642-R645 WeakPolarHBondContact O-CB 3.28Å; Q642-R645 WeakPolarHBondContact O-CG 3.34Å; Q642-R645 PolarHBondContact O-N 3.39Å; Q642-R645 VanDerWaalsContact O-N 3.13Å; Q642-R645 VanDerWaalsContact OE1-CD 3.31Å
643	F	96.1	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-41.9	177.2	-82.6	-108.4	0	0	0	111.6	S603 V609 F612 Q613 A617 L618 L621 A639 L640 R645 I646 N649	S603-F643 WeakPolarHBondContact OG-CE2 3.48Å; V609-F643 HydrophobicContact CG1-CB 4.38Å; V609-F643 HydrophobicContact CG1-CD1 3.63Å; V609-F643 HydrophobicContact CG1-CD2 4.33Å; V609-F643 HydrophobicContact CG1-CE1 3.98Å; V609-F643 HydrophobicContact CG1-CG 3.84Å; V609-F643 HydrophobicContact CG1-CZ 4.5Å; F612-F643 HydrophobicContact CB-CE1 4.05Å; F612-F643 HydrophobicContact CB-CZ 3.6Å; F612-F643 HydrophobicContact CD2-CZ 4.25Å; F612-F643 HydrophobicContact CG-CZ 4.27Å; Q613-F643 HydrophobicContact CG-CD1 4.41Å; Q613-F643 HydrophobicContact CG-CE1 4.27Å; A617-F643 HydrophobicContact CB-CZ 4.19Å; L618-F643 HydrophobicContact CB-CD1 3.89Å; L618-F643 HydrophobicContact CB-CE1 3.91Å; L618-F643 HydrophobicContact CD1-CB 4.05Å; L618-F643 HydrophobicContact CD1-CD1 3.93Å; L618-F643 HydrophobicContact CD1-CG 4.1Å; L618-F643 HydrophobicContact CD2-CD1 4.27Å; L618-F643 HydrophobicContact CG-CD1 4.26Å; L621-F643 HydrophobicContact CD1-CD2 4.4Å; L621-F643 HydrophobicContact CD1-CE2 3.79Å; L621-F643 HydrophobicContact CD1-CZ 4.15Å; A639-F643 WeakPolarHBondContact O-CD2 3.36Å; A639-F643 PolarHBondContact O-N 3.24Å; L640-F643 PolarHBondContact O-N 3.02Å; L640-F643 VanDerWaalsContact O-N 3.16Å; F643-R645 PolarHBondContact O-N 3.24Å; F643-I646 PolarHBondContact O-N 2.97Å; F643-N649 HydrophobicContact CB-CB 4.39Å; F643-N649 VanDerWaalsContact O-CB 3.28Å; F643-N649 WeakPolarHBondContact O-CB 3.36Å; F643-N649 PolarHBondContact O-ND2 3.29Å
644	A	94.5	Very high	93.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-8.5	178.2	0	0	0	0	0	114.8	L640 Q642 I646 K650 I653 A683	L640-A644 WeakPolarHBondContact O-CB 3.16Å; L640-A644 PolarHBondContact O-N 3.47Å; Q642-A644 VanDerWaalsContact C-N 3.3Å; Q642-A644 PolarHBondContact O-N 3.42Å; A644-I646 VanDerWaalsContact C-N 3.26Å; A644-K650 HydrophobicContact CB-CG 4.3Å; A644-K650 WeakPolarHBondContact O-CE 3.45Å; A644-K650 WeakPolarHBondContact O-CG 3.46Å; A644-I653 HydrophobicContact CB-CD1 3.92Å; A644-A683 HydrophobicContact CB-CB 3.79Å
645	R	91.3	Very high	93.4	Very high	141 Å²	141	32.7 Å²	32.7	53%	0.532	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.9	171.4	-61.7	173.5	62.8	-166.4	-5.1	112.3	M606 Q642 F643	M606-R645 HydrophobicContact CE-CB 4.42Å; M606-R645 HydrophobicContact SD-CB 3.92Å; Q642-R645 VanDerWaalsContact O-CB 3.29Å; Q642-R645 WeakPolarHBondContact O-CB 3.28Å; Q642-R645 WeakPolarHBondContact O-CG 3.34Å; Q642-R645 PolarHBondContact O-N 3.39Å; Q642-R645 VanDerWaalsContact O-N 3.13Å; Q642-R645 VanDerWaalsContact OE1-CD 3.31Å; F643-R645 PolarHBondContact O-N 3.24Å
646	I	90.4	Very high	93	Very high	41 Å²	41	34.5 Å²	34.5	21%	0.21	20%	0.203	C	C	.	.	S	Bend	trans	-86.9	120.9	167.3	-57.1	-178.3	0	0	0	107.6	M606 V609 F643 A644 A648 N649	M606-I646 HydrophobicContact SD-CG1 4.4Å; V609-I646 HydrophobicContact CB-CD1 4.14Å; V609-I646 HydrophobicContact CG1-CD1 3.58Å; V609-I646 HydrophobicContact CG1-CG1 4.42Å; F643-I646 PolarHBondContact O-N 2.97Å; A644-I646 VanDerWaalsContact C-N 3.26Å; I646-A648 VanDerWaalsContact C-N 3.34Å; I646-A648 HydrophobicContact CG2-CB 4.43Å; I646-A648 PolarHBondContact O-N 3.35Å; I646-N649 WeakPolarHBondContact O-CB 3.43Å; I646-N649 PolarHBondContact O-N 2.98Å
647	P	89.5	Confident	92.6	Very high	74 Å²	74	36.4 Å²	36.4	48%	0.481	22%	0.223	S	C	.	.	H	α-helix	trans	-53.1	-47.1	-177	-28.6	35.7	0	0	0	113.6	N649 K650	P647-N649 PolarHBondContact O-N 2.91Å; P647-K650 WeakPolarHBondContact O-CB 3.23Å; P647-K650 PolarHBondContact O-N 3.11Å
648	A	89.9	Confident	92.4	Very high	62 Å²	62	36.4 Å²	36.4	51%	0.512	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-15.1	179.7	0	0	0	0	0	115.3	I646 S651 I652	I646-A648 VanDerWaalsContact C-N 3.34Å; I646-A648 HydrophobicContact CG2-CB 4.43Å; I646-A648 PolarHBondContact O-N 3.35Å; A648-S651 PolarHBondContact O-OG 3.36Å; A648-I652 WeakPolarHBondContact O-CD1 3.39Å; A648-I652 WeakPolarHBondContact O-CG1 3.38Å
649	N	92.9	Very high	92.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-85.7	-25.1	173.2	-74.4	-28.4	0	0	0	113.3	Q613 L618 F643 I646 P647 I652 I653	Q613-N649 PolarHBondContact NE2-OD1 3.25Å; L618-N649 HydrophobicContact CD2-CB 3.79Å; L618-N649 WeakPolarHBondContact CD2-OD1 3.44Å; F643-N649 HydrophobicContact CB-CB 4.39Å; F643-N649 VanDerWaalsContact O-CB 3.28Å; F643-N649 WeakPolarHBondContact O-CB 3.36Å; F643-N649 PolarHBondContact O-ND2 3.29Å; I646-N649 WeakPolarHBondContact O-CB 3.43Å; I646-N649 PolarHBondContact O-N 2.98Å; P647-N649 PolarHBondContact O-N 2.91Å; N649-I652 WeakPolarHBondContact O-CB 3.41Å; N649-I652 PolarHBondContact O-N 3.49Å; N649-I653 VanDerWaalsContact O-CG1 3.27Å; N649-I653 WeakPolarHBondContact O-CG1 3.33Å; N649-I653 PolarHBondContact O-N 2.95Å
650	K	91.2	Very high	91.8	Very high	20 Å²	20	46.9 Å²	46.9	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-46.5	-176.4	-58.5	174.4	-168.1	167.6	0	111.1	A644 P647 I652 I653 C654 A683 T686 E687	A644-K650 HydrophobicContact CB-CG 4.3Å; A644-K650 WeakPolarHBondContact O-CE 3.45Å; A644-K650 WeakPolarHBondContact O-CG 3.46Å; P647-K650 WeakPolarHBondContact O-CB 3.23Å; P647-K650 PolarHBondContact O-N 3.11Å; K650-I652 VanDerWaalsContact C-N 3.28Å; K650-I652 PolarHBondContact O-N 3.38Å; K650-I653 CarbonylContact O-C 3.59Å; K650-I653 WeakPolarHBondContact O-CA 3.3Å; K650-I653 WeakPolarHBondContact O-CB 3.4Å; K650-I653 PolarHBondContact O-N 3.09Å; K650-I653 VanDerWaalsContact O-N 3.08Å; K650-C654 PolarHBondContact O-N 3.5Å; K650-A683 WeakPolarHBondContact CE-O 3.38Å; K650-T686 WeakPolarHBondContact CE-OG1 3.41Å; K650-T686 PolarHBondContact NZ-OG1 2.63Å; K650-E687 WeakPolarHBondContact CB-OE2 3.13Å; K650-E687 HydrophobicContact CD-CB 3.8Å; K650-E687 IonicContact NZ-OE1 3.95Å
651	S	88.3	Confident	91.6	Very high	46 Å²	46	47.5 Å²	47.5	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-33.9	173.3	60.5	0	0	0	0	112.7	A648 C654 N655	A648-S651 PolarHBondContact O-OG 3.36Å; S651-C654 PolarHBondContact O-N 3.32Å; S651-N655 VanDerWaalsContact O-CB 3.24Å; S651-N655 WeakPolarHBondContact O-CB 3.47Å; S651-N655 PolarHBondContact O-N 2.9Å; S651-N655 PolarHBondContact O-ND2 3Å
652	I	91.4	Very high	91.5	Very high	56 Å²	56	47 Å²	47	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-66.9	-41.3	171.9	-61.9	171.7	0	0	0	111.1	L618 I622 A648 N649 K650 G656	L618-I652 HydrophobicContact CD2-CB 3.94Å; L618-I652 HydrophobicContact CD2-CD1 4.23Å; L618-I652 HydrophobicContact CD2-CG2 3.67Å; L618-I652 HydrophobicContact CG-CG2 4.1Å; I622-I652 HydrophobicContact CD1-CG2 4.27Å; A648-I652 WeakPolarHBondContact O-CD1 3.39Å; A648-I652 WeakPolarHBondContact O-CG1 3.38Å; N649-I652 WeakPolarHBondContact O-CB 3.41Å; N649-I652 PolarHBondContact O-N 3.49Å; K650-I652 VanDerWaalsContact C-N 3.28Å; K650-I652 PolarHBondContact O-N 3.38Å; I652-G656 PolarHBondContact O-N 3.23Å
653	I	92.9	Very high	91.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-38.9	175.6	-67.4	162.7	0	0	0	111	L618 I622 L640 A644 N649 K650 G658 I659	L618-I653 HydrophobicContact CD1-CD1 4.15Å; L618-I653 HydrophobicContact CD1-CG1 3.83Å; I622-I653 HydrophobicContact CD1-CG1 4.11Å; I622-I653 HydrophobicContact CG1-CG1 4.46Å; L640-I653 HydrophobicContact CD2-CD1 4.43Å; L640-I653 HydrophobicContact CD2-CG1 4.39Å; A644-I653 HydrophobicContact CB-CD1 3.92Å; N649-I653 VanDerWaalsContact O-CG1 3.27Å; N649-I653 WeakPolarHBondContact O-CG1 3.33Å; N649-I653 PolarHBondContact O-N 2.95Å; K650-I653 CarbonylContact O-C 3.59Å; K650-I653 WeakPolarHBondContact O-CA 3.3Å; K650-I653 WeakPolarHBondContact O-CB 3.4Å; K650-I653 PolarHBondContact O-N 3.09Å; K650-I653 VanDerWaalsContact O-N 3.08Å; I653-G658 VanDerWaalsContact O-CA 3.29Å; I653-G658 WeakPolarHBondContact O-CA 3.44Å; I653-G658 PolarHBondContact O-N 2.84Å; I653-I659 HydrophobicContact CG2-CG1 4.34Å
654	C	89.1	Confident	91.1	Very high	38 Å²	38	53.6 Å²	53.6	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-57.8	173.7	-173.5	0	0	0	0	111.4	K650 S651 G656 G657 I659 N690	K650-C654 PolarHBondContact O-N 3.5Å; S651-C654 PolarHBondContact O-N 3.32Å; C654-G656 PolarHBondContact O-N 2.9Å; C654-G657 PolarHBondContact O-N 2.76Å; C654-I659 HydrophobicContact CB-CD1 3.67Å; C654-I659 HydrophobicContact CB-CG1 4.37Å; C654-N690 VanDerWaalsContact CB-OD1 3.23Å; C654-N690 WeakPolarHBondContact CB-OD1 3.48Å
655	N	88.3	Confident	91.1	Very high	141 Å²	141	54.9 Å²	54.9	75%	0.754	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-26.8	-176.4	-66.9	-19.7	0	0	0	113.1	S651 G657	S651-N655 VanDerWaalsContact O-CB 3.24Å; S651-N655 WeakPolarHBondContact O-CB 3.47Å; S651-N655 PolarHBondContact O-N 2.9Å; S651-N655 PolarHBondContact O-ND2 3Å; N655-G657 PolarHBondContact O-N 3.43Å
656	G	87.5	Confident	91.1	Very high	45 Å²	45	51.9 Å²	51.9	46%	0.464	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	3.4	171.2	0	0	0	0	0	114.9	I622 I652 C654 G658	I622-G656 VanDerWaalsContact CG2-O 3.31Å; I622-G656 WeakPolarHBondContact CG2-O 3.43Å; I652-G656 PolarHBondContact O-N 3.23Å; C654-G656 PolarHBondContact O-N 2.9Å; G656-G658 PolarHBondContact O-N 3.18Å
657	G	90.6	Very high	91.1	Very high	40 Å²	40	56.5 Å²	56.5	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	3.9	-177.1	0	0	0	0	0	114.7	C654 N655 I659 R660 A661	C654-G657 PolarHBondContact O-N 2.76Å; N655-G657 PolarHBondContact O-N 3.43Å; G657-I659 VanDerWaalsContact C-N 3.32Å; G657-I659 PolarHBondContact O-N 3.28Å; G657-R660 PolarHBondContact O-N 3.5Å; G657-R660 VanDerWaalsContact O-N 3.14Å; G657-A661 PolarHBondContact O-N 3.29Å
658	G	92.1	Very high	91.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-34.6	-174.3	0	0	0	0	0	113.7	I653 G656 R660 A661 L662	I653-G658 VanDerWaalsContact O-CA 3.29Å; I653-G658 WeakPolarHBondContact O-CA 3.44Å; I653-G658 PolarHBondContact O-N 2.84Å; G656-G658 PolarHBondContact O-N 3.18Å; G658-R660 PolarHBondContact O-N 3.41Å; G658-A661 PolarHBondContact O-N 2.86Å; G658-L662 WeakPolarHBondContact O-CB 3.19Å; G658-L662 VanDerWaalsContact O-CG 3.23Å; G658-L662 WeakPolarHBondContact O-CG 3.23Å; G658-L662 PolarHBondContact O-N 2.79Å
659	I	90.8	Very high	91.1	Very high	31 Å²	31	57.2 Å²	57.2	16%	0.159	33%	0.328	C	S	.	.	H	α-helix	trans	-61.8	-43.4	175.7	-64	-178.5	0	0	0	111.2	I653 C654 G657 A661 L662 I663 C684 N690	I653-I659 HydrophobicContact CG2-CG1 4.34Å; C654-I659 HydrophobicContact CB-CD1 3.67Å; C654-I659 HydrophobicContact CB-CG1 4.37Å; G657-I659 VanDerWaalsContact C-N 3.32Å; G657-I659 PolarHBondContact O-N 3.28Å; I659-A661 PolarHBondContact O-N 2.92Å; I659-L662 PolarHBondContact O-N 2.77Å; I659-I663 HydrophobicContact CG2-CD1 3.89Å; I659-I663 WeakPolarHBondContact O-CG1 3.42Å; I659-I663 PolarHBondContact O-N 3.44Å; I659-C684 HydrophobicContact CD1-CB 4.17Å; I659-C684 HydrophobicContact CG1-CB 4.42Å; I659-N690 HydrophobicContact CD1-CB 3.83Å
660	R	91.3	Very high	91.2	Very high	194 Å²	194	59.2 Å²	59.2	73%	0.732	34%	0.339	S	S	*	.	H	α-helix	trans	-64.5	-41.5	177.2	-176.2	177.5	178.8	180	-1	111.6	G657 G658 I663 N664	G657-R660 PolarHBondContact O-N 3.5Å; G657-R660 VanDerWaalsContact O-N 3.14Å; G658-R660 PolarHBondContact O-N 3.41Å; R660-I663 PolarHBondContact O-N 3.21Å; R660-N664 VanDerWaalsContact O-CG 3.25Å; R660-N664 PolarHBondContact O-N 3.4Å; R660-N664 PolarHBondContact O-OD1 2.89Å
661	A	93.8	Very high	91.3	Very high	14 Å²	14	64.9 Å²	64.9	12%	0.116	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-43	176	0	0	0	0	0	111.8	L625 T626 G657 G658 I659 I663 N664 L665	L625-A661 HydrophobicContact CB-CB 3.8Å; L625-A661 HydrophobicContact CD1-CB 3.98Å; L625-A661 HydrophobicContact CG-CB 4.49Å; T626-A661 HydrophobicContact CG2-CB 4.49Å; G657-A661 PolarHBondContact O-N 3.29Å; G658-A661 PolarHBondContact O-N 2.86Å; I659-A661 PolarHBondContact O-N 2.92Å; A661-I663 PolarHBondContact O-N 3.43Å; A661-N664 WeakPolarHBondContact O-CB 3.27Å; A661-N664 PolarHBondContact O-N 2.9Å; A661-L665 WeakPolarHBondContact O-CG 3.39Å; A661-L665 PolarHBondContact O-N 3.25Å; A661-L665 VanDerWaalsContact O-N 3.13Å
662	L	93.9	Very high	91.5	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-43.9	173.8	-72.9	169.6	0	0	0	112.3	L625 V637 G658 I659 N664 L665 L666 V677 A680 V681	L625-L662 HydrophobicContact CD2-CD2 4.13Å; V637-L662 HydrophobicContact CB-CD2 4.27Å; V637-L662 HydrophobicContact CG1-CD2 3.64Å; V637-L662 HydrophobicContact CG2-CD2 3.75Å; G658-L662 WeakPolarHBondContact O-CB 3.19Å; G658-L662 VanDerWaalsContact O-CG 3.23Å; G658-L662 WeakPolarHBondContact O-CG 3.23Å; G658-L662 PolarHBondContact O-N 2.79Å; I659-L662 PolarHBondContact O-N 2.77Å; L662-N664 VanDerWaalsContact C-N 3.33Å; L662-N664 PolarHBondContact O-N 2.97Å; L662-L665 PolarHBondContact O-N 3.3Å; L662-L666 PolarHBondContact O-N 2.94Å; L662-V677 HydrophobicContact CB-CG1 4.33Å; L662-V677 HydrophobicContact CD2-CG1 4.37Å; L662-V677 WeakPolarHBondContact O-CG1 3.29Å; L662-A680 HydrophobicContact CD1-CB 4.07Å; L662-A680 HydrophobicContact CD2-CB 4.09Å; L662-V681 HydrophobicContact CB-CG2 3.7Å; L662-V681 HydrophobicContact CD1-CG2 4.28Å
663	I	92	Very high	91.7	Very high	86 Å²	86	62.9 Å²	62.9	44%	0.441	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-40.5	175.9	-69.5	166.4	0	0	0	111	I659 R660 A661 L665 L666	I659-I663 HydrophobicContact CG2-CD1 3.89Å; I659-I663 WeakPolarHBondContact O-CG1 3.42Å; I659-I663 PolarHBondContact O-N 3.44Å; R660-I663 PolarHBondContact O-N 3.21Å; A661-I663 PolarHBondContact O-N 3.43Å; I663-L665 VanDerWaalsContact C-N 3.26Å; I663-L665 PolarHBondContact O-N 3.39Å; I663-L666 WeakPolarHBondContact O-CB 3.22Å; I663-L666 PolarHBondContact O-N 3.39Å; I663-L666 VanDerWaalsContact O-N 3.14Å
664	N	92.3	Very high	91.8	Very high	94 Å²	94	64.6 Å²	64.6	50%	0.503	37%	0.368	S	S	.	.	H	α-helix	trans	-59.8	-37.2	175.6	-67.9	-14.2	0	0	0	112.1	R660 A661 L662 L666 N667	R660-N664 VanDerWaalsContact O-CG 3.25Å; R660-N664 PolarHBondContact O-N 3.4Å; R660-N664 PolarHBondContact O-OD1 2.89Å; A661-N664 WeakPolarHBondContact O-CB 3.27Å; A661-N664 PolarHBondContact O-N 2.9Å; L662-N664 VanDerWaalsContact C-N 3.33Å; L662-N664 PolarHBondContact O-N 2.97Å; N664-L666 VanDerWaalsContact C-N 3.26Å; N664-L666 PolarHBondContact O-N 2.67Å; N664-N667 PolarHBondContact O-N 2.68Å; N664-N667 PolarHBondContact O-ND2 3.43Å
665	L	93.9	Very high	92	Very high	28 Å²	28	66.2 Å²	66.2	15%	0.147	38%	0.377	C	S	.	.	H	α-helix	trans	-69.9	-15.6	178.7	-64	175.8	0	0	0	114	L625 L633 V637 A661 L662 I663 N667 G668 L673 V677	L625-L665 HydrophobicContact CD2-CD1 4.22Å; L633-L665 HydrophobicContact CD1-CD2 3.94Å; L633-L665 HydrophobicContact CD2-CD1 4.46Å; V637-L665 HydrophobicContact CG2-CD1 3.83Å; A661-L665 WeakPolarHBondContact O-CG 3.39Å; A661-L665 PolarHBondContact O-N 3.25Å; A661-L665 VanDerWaalsContact O-N 3.13Å; L662-L665 PolarHBondContact O-N 3.3Å; I663-L665 VanDerWaalsContact C-N 3.26Å; I663-L665 PolarHBondContact O-N 3.39Å; L665-N667 PolarHBondContact O-N 3.02Å; L665-G668 PolarHBondContact O-N 3.19Å; L665-L673 HydrophobicContact CD2-CD2 4.45Å; L665-V677 HydrophobicContact CB-CG2 3.82Å; L665-V677 HydrophobicContact CD1-CG2 4.32Å
666	L	91.4	Very high	92.4	Very high	78 Å²	78	60.2 Å²	60.2	41%	0.408	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14	172.3	-68	173.8	0	0	0	113.3	L662 I663 N664 G668 L674 V677	L662-L666 PolarHBondContact O-N 2.94Å; I663-L666 WeakPolarHBondContact O-CB 3.22Å; I663-L666 PolarHBondContact O-N 3.39Å; I663-L666 VanDerWaalsContact O-N 3.14Å; N664-L666 VanDerWaalsContact C-N 3.26Å; N664-L666 PolarHBondContact O-N 2.67Å; L666-G668 VanDerWaalsContact C-N 3.3Å; L666-L674 HydrophobicContact CD2-CD2 4.38Å; L666-V677 HydrophobicContact CD2-CB 4.09Å; L666-V677 HydrophobicContact CD2-CG1 3.47Å; L666-V677 VanDerWaalsContact CD2-CG1 3.47Å; L666-V677 HydrophobicContact CG-CG1 3.71Å
667	N	89.6	Confident	92.7	Very high	137 Å²	137	58.1 Å²	58.1	73%	0.733	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.5	175.2	-54.7	-71.2	0	0	0	113.3	N664 L665	N664-N667 PolarHBondContact O-N 2.68Å; N664-N667 PolarHBondContact O-ND2 3.43Å; L665-N667 PolarHBondContact O-N 3.02Å
668	G	89.2	Confident	92.9	Very high	31 Å²	31	59 Å²	59	32%	0.32	33%	0.326	S	S	.	.			trans	-76.1	168.6	176.2	0	0	0	0	0	113.2	L665 L666	L665-G668 PolarHBondContact O-N 3.19Å; L666-G668 VanDerWaalsContact C-N 3.3Å
669	T	91.6	Very high	92.9	Very high	121 Å²	121	65.1 Å²	65.1	74%	0.742	35%	0.353	S	S	*	.			trans	-102.6	-18.1	179.5	51.7	0	0	0	0	113.7	Q671	T669-Q671 PolarHBondContact O-N 3.43Å; T669-Q671 PolarHBondContact O-NE2 3.32Å
670	N	93.3	Very high	93	Very high	43 Å²	43	63.6 Å²	63.6	23%	0.23	35%	0.345	C	S	.	.			trans	-66.3	111.8	-176.9	-176.4	-43.1	0	0	0	112.2	E630 A672 L673 L674	E630-N670 WeakPolarHBondContact OE1-CB 3.36Å; E630-N670 WeakPolarHBondContact OE2-CB 3.31Å; E630-N670 PolarHBondContact OE2-ND2 3.37Å; N670-A672 VanDerWaalsContact C-N 3.35Å; N670-A672 PolarHBondContact O-N 2.92Å; N670-A672 WeakPolarHBondContact OD1-CB 3.49Å; N670-A672 PolarHBondContact OD1-N 3.26Å; N670-L673 HydrophobicContact CB-CB 3.98Å; N670-L673 PolarHBondContact O-N 2.88Å; N670-L673 PolarHBondContact OD1-N 3.34Å; N670-L674 WeakPolarHBondContact O-CG 3.25Å; N670-L674 PolarHBondContact O-N 2.87Å
671	Q	93.8	Very high	93	Very high	139 Å²	139	56.1 Å²	56.1	65%	0.65	32%	0.321	S	S	*	.	H	α-helix	trans	-62.1	-37.2	-175.8	-63.6	-60.8	-57.3	0	0	113.5	T669 V675	T669-Q671 PolarHBondContact O-N 3.43Å; T669-Q671 PolarHBondContact O-NE2 3.32Å; Q671-V675 VanDerWaalsContact O-CB 3.32Å; Q671-V675 WeakPolarHBondContact O-CB 3.3Å; Q671-V675 VanDerWaalsContact O-CG2 3.22Å; Q671-V675 WeakPolarHBondContact O-CG2 3.32Å; Q671-V675 PolarHBondContact O-N 2.88Å
672	A	93.1	Very high	92.8	Very high	54 Å²	54	57.3 Å²	57.3	45%	0.446	34%	0.335	S	S	.	.	H	α-helix	trans	-68.5	-38.1	178.4	0	0	0	0	0	111.3	V634 N670 N676	V634-A672 HydrophobicContact CG1-CB 4.45Å; V634-A672 HydrophobicContact CG2-CB 4.26Å; N670-A672 VanDerWaalsContact C-N 3.35Å; N670-A672 PolarHBondContact O-N 2.92Å; N670-A672 WeakPolarHBondContact OD1-CB 3.49Å; N670-A672 PolarHBondContact OD1-N 3.26Å; A672-N676 PolarHBondContact O-N 3.34Å
673	L	94.9	Very high	92.6	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-65.7	-53.8	174.7	-177.3	56.5	0	0	0	110.6	L633 V634 V637 L665 N670 V675 N676 V677	L633-L673 HydrophobicContact CB-CD1 3.83Å; L633-L673 HydrophobicContact CB-CD2 4.23Å; L633-L673 HydrophobicContact CD1-CD2 4.44Å; V634-L673 HydrophobicContact CG2-CB 3.78Å; V634-L673 HydrophobicContact CG2-CD1 4.25Å; V637-L673 HydrophobicContact CB-CD1 4.46Å; V637-L673 HydrophobicContact CG2-CD1 4.11Å; L665-L673 HydrophobicContact CD2-CD2 4.45Å; N670-L673 HydrophobicContact CB-CB 3.98Å; N670-L673 PolarHBondContact O-N 2.88Å; N670-L673 PolarHBondContact OD1-N 3.34Å; L673-V675 VanDerWaalsContact C-N 3.29Å; L673-V675 PolarHBondContact O-N 3.48Å; L673-N676 CarbonylContact O-C 3.57Å; L673-N676 WeakPolarHBondContact O-CA 3.35Å; L673-N676 PolarHBondContact O-N 3.09Å; L673-V677 HydrophobicContact CD1-CG2 3.92Å; L673-V677 HydrophobicContact CG-CG2 4.08Å; L673-V677 VanDerWaalsContact O-CG2 3.32Å; L673-V677 WeakPolarHBondContact O-CG2 3.49Å; L673-V677 PolarHBondContact O-N 3.46Å
674	L	94.7	Very high	92.4	Very high	38 Å²	38	54.4 Å²	54.4	20%	0.199	32%	0.324	C	S	.	.	H	α-helix	trans	-54.9	-42.7	179.5	-69	173.4	0	0	0	112.4	L666 N670 N676 V677 A678	L666-L674 HydrophobicContact CD2-CD2 4.38Å; N670-L674 WeakPolarHBondContact O-CG 3.25Å; N670-L674 PolarHBondContact O-N 2.87Å; L674-N676 VanDerWaalsContact C-N 3.32Å; L674-N676 PolarHBondContact O-N 2.85Å; L674-V677 PolarHBondContact O-N 3.42Å; L674-A678 WeakPolarHBondContact O-CB 3.48Å; L674-A678 PolarHBondContact O-N 3.46Å
675	V	94.7	Very high	92.1	Very high	71 Å²	71	52.3 Å²	52.3	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-34.2	176.6	164	0	0	0	0	112.4	Q671 L673 K679	Q671-V675 VanDerWaalsContact O-CB 3.32Å; Q671-V675 WeakPolarHBondContact O-CB 3.3Å; Q671-V675 VanDerWaalsContact O-CG2 3.22Å; Q671-V675 WeakPolarHBondContact O-CG2 3.32Å; Q671-V675 PolarHBondContact O-N 2.88Å; L673-V675 VanDerWaalsContact C-N 3.29Å; L673-V675 PolarHBondContact O-N 3.48Å; V675-K679 VanDerWaalsContact O-CD 3.24Å; V675-K679 WeakPolarHBondContact O-CD 3.3Å; V675-K679 WeakPolarHBondContact O-CE 3.45Å; V675-K679 VanDerWaalsContact O-CG 3.24Å; V675-K679 WeakPolarHBondContact O-CG 3.49Å
676	N	95.5	Very high	91.6	Very high	16 Å²	16	55.8 Å²	55.8	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-78.2	-39.9	174.3	-82.8	-0.8	0	0	0	111.9	W600 V634 V637 A672 L673 L674 K679 A680	W600-N676 WeakPolarHBondContact CH2-ND2 3.42Å; W600-N676 VanDerWaalsContact CZ2-ND2 3.33Å; W600-N676 WeakPolarHBondContact CZ2-ND2 3.4Å; V634-N676 PolarHBondContact O-ND2 3.44Å; V637-N676 HydrophobicContact CB-CB 4.43Å; V637-N676 VanDerWaalsContact CG1-C 3.45Å; V637-N676 HydrophobicContact CG1-CB 3.97Å; A672-N676 PolarHBondContact O-N 3.34Å; L673-N676 CarbonylContact O-C 3.57Å; L673-N676 WeakPolarHBondContact O-CA 3.35Å; L673-N676 PolarHBondContact O-N 3.09Å; L674-N676 VanDerWaalsContact C-N 3.32Å; L674-N676 PolarHBondContact O-N 2.85Å; N676-K679 PolarHBondContact O-N 3.02Å; N676-A680 PolarHBondContact O-N 3.38Å
677	V	95.2	Very high	90.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-48.7	177.3	176.7	0	0	0	0	110.7	V637 L662 L665 L666 L673 L674 K679 A680 V681	V637-V677 HydrophobicContact CG1-CB 4.24Å; V637-V677 HydrophobicContact CG1-CG2 3.79Å; V637-V677 HydrophobicContact CG2-CG2 4.2Å; L662-V677 HydrophobicContact CB-CG1 4.33Å; L662-V677 HydrophobicContact CD2-CG1 4.37Å; L662-V677 WeakPolarHBondContact O-CG1 3.29Å; L665-V677 HydrophobicContact CB-CG2 3.82Å; L665-V677 HydrophobicContact CD1-CG2 4.32Å; L666-V677 HydrophobicContact CD2-CB 4.09Å; L666-V677 HydrophobicContact CD2-CG1 3.47Å; L666-V677 VanDerWaalsContact CD2-CG1 3.47Å; L666-V677 HydrophobicContact CG-CG1 3.71Å; L673-V677 HydrophobicContact CD1-CG2 3.92Å; L673-V677 HydrophobicContact CG-CG2 4.08Å; L673-V677 VanDerWaalsContact O-CG2 3.32Å; L673-V677 WeakPolarHBondContact O-CG2 3.49Å; L673-V677 PolarHBondContact O-N 3.46Å; L674-V677 PolarHBondContact O-N 3.42Å; V677-K679 VanDerWaalsContact C-N 3.26Å; V677-K679 PolarHBondContact O-N 2.94Å; V677-A680 PolarHBondContact O-N 3.04Å; V677-A680 VanDerWaalsContact O-N 3.11Å; V677-V681 HydrophobicContact CG1-CG2 4.09Å; V677-V681 WeakPolarHBondContact O-CG2 3.48Å; V677-V681 PolarHBondContact O-N 2.84Å
678	A	93	Very high	89.9	Confident	59 Å²	59	58.3 Å²	58.3	49%	0.488	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-38	177.7	0	0	0	0	0	112.5	L674 G682	L674-A678 WeakPolarHBondContact O-CB 3.48Å; L674-A678 PolarHBondContact O-N 3.46Å; A678-G682 PolarHBondContact O-N 3.35Å
679	K	92.2	Very high	88.9	Confident	128 Å²	128	63.3 Å²	63.3	56%	0.557	36%	0.357	S	S	*	.	H	α-helix	trans	-69.1	-41.9	174.7	-69.3	167.1	-168.5	166.5	0	112.4	V675 N676 V677 A683	V675-K679 VanDerWaalsContact O-CD 3.24Å; V675-K679 WeakPolarHBondContact O-CD 3.3Å; V675-K679 WeakPolarHBondContact O-CE 3.45Å; V675-K679 VanDerWaalsContact O-CG 3.24Å; V675-K679 WeakPolarHBondContact O-CG 3.49Å; N676-K679 PolarHBondContact O-N 3.02Å; V677-K679 VanDerWaalsContact C-N 3.26Å; V677-K679 PolarHBondContact O-N 2.94Å; K679-A683 WeakPolarHBondContact O-CB 3.28Å; K679-A683 PolarHBondContact O-N 3.33Å
680	A	94	Very high	87.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-45.8	179.9	0	0	0	0	0	112.1	V637 L662 N676 V677 A683 C684	V637-A680 HydrophobicContact CG1-CB 3.89Å; L662-A680 HydrophobicContact CD1-CB 4.07Å; L662-A680 HydrophobicContact CD2-CB 4.09Å; N676-A680 PolarHBondContact O-N 3.38Å; V677-A680 PolarHBondContact O-N 3.04Å; V677-A680 VanDerWaalsContact O-N 3.11Å; A680-A683 PolarHBondContact O-N 3.46Å; A680-C684 PolarHBondContact O-N 3.13Å; A680-C684 VanDerWaalsContact O-N 3.1Å; A680-C684 PolarHBondContact O-SG 3.48Å
681	V	91.9	Very high	86	Confident	36 Å²	36	61 Å²	61	22%	0.218	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-48.3	173.7	174.8	0	0	0	0	110.4	L662 V677 A683 C684 A685	L662-V681 HydrophobicContact CB-CG2 3.7Å; L662-V681 HydrophobicContact CD1-CG2 4.28Å; V677-V681 HydrophobicContact CG1-CG2 4.09Å; V677-V681 WeakPolarHBondContact O-CG2 3.48Å; V677-V681 PolarHBondContact O-N 2.84Å; V681-A683 VanDerWaalsContact C-N 3.3Å; V681-A683 PolarHBondContact O-N 2.95Å; V681-C684 PolarHBondContact O-N 3.3Å; V681-C684 VanDerWaalsContact O-N 3.15Å; V681-A685 WeakPolarHBondContact O-CB 3.45Å; V681-A685 PolarHBondContact O-N 3.02Å
682	G	89.3	Confident	83.9	Confident	40 Å²	40	61.7 Å²	61.7	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-58.8	-37.7	177.1	0	0	0	0	0	113.4	A678 T686	A678-G682 PolarHBondContact O-N 3.35Å; G682-T686 WeakPolarHBondContact O-CG2 3.5Å
683	A	89	Confident	83.4	Confident	22 Å²	22	62.1 Å²	62.1	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-42.6	174.8	0	0	0	0	0	112.5	A644 K650 K679 A680 V681 T686	A644-A683 HydrophobicContact CB-CB 3.79Å; K650-A683 WeakPolarHBondContact CE-O 3.38Å; K679-A683 WeakPolarHBondContact O-CB 3.28Å; K679-A683 PolarHBondContact O-N 3.33Å; A680-A683 PolarHBondContact O-N 3.46Å; V681-A683 VanDerWaalsContact C-N 3.3Å; V681-A683 PolarHBondContact O-N 2.95Å; A683-T686 PolarHBondContact O-OG1 2.88Å
684	C	88	Confident	82.8	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.02	39%	0.387	C	S	.	.	H	α-helix	trans	-67.2	-41.9	178.2	-61	0	0	0	0	112.1	I659 A680 V681 T686 E687 N690	I659-C684 HydrophobicContact CD1-CB 4.17Å; I659-C684 HydrophobicContact CG1-CB 4.42Å; A680-C684 PolarHBondContact O-N 3.13Å; A680-C684 VanDerWaalsContact O-N 3.1Å; A680-C684 PolarHBondContact O-SG 3.48Å; V681-C684 PolarHBondContact O-N 3.3Å; V681-C684 VanDerWaalsContact O-N 3.15Å; C684-T686 PolarHBondContact O-N 3.48Å; C684-T686 VanDerWaalsContact O-N 3.1Å; C684-E687 PolarHBondContact O-N 2.97Å; C684-N690 PolarHBondContact O-ND2 3.32Å
685	A	85.4	Confident	82.2	Confident	49 Å²	49	66.6 Å²	66.6	41%	0.405	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-4.4	-178.4	0	0	0	0	0	115	V681 E687 V691	V681-A685 WeakPolarHBondContact O-CB 3.45Å; V681-A685 PolarHBondContact O-N 3.02Å; A685-E687 PolarHBondContact O-N 2.98Å; A685-V691 HydrophobicContact CB-CG2 4.44Å; A685-V691 WeakPolarHBondContact O-CG2 3.41Å
686	T	83.2	Confident	81.4	Confident	101 Å²	101	66.3 Å²	66.3	62%	0.62	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.1	171.6	58.1	0	0	0	0	113.9	K650 G682 A683 C684	K650-T686 WeakPolarHBondContact CE-OG1 3.41Å; K650-T686 PolarHBondContact NZ-OG1 2.63Å; G682-T686 WeakPolarHBondContact O-CG2 3.5Å; A683-T686 PolarHBondContact O-OG1 2.88Å; C684-T686 PolarHBondContact O-N 3.48Å; C684-T686 VanDerWaalsContact O-N 3.1Å
687	E	77.4	Confident	80.6	Confident	44 Å²	44	69.4 Å²	69.4	21%	0.206	41%	0.414	C	S	.	.	S	Bend	trans	-120.4	122.4	-177.8	177.3	172	-78.9	0	0	109	K650 C684 A685 D689 N690	K650-E687 WeakPolarHBondContact CB-OE2 3.13Å; K650-E687 HydrophobicContact CD-CB 3.8Å; K650-E687 IonicContact NZ-OE1 3.95Å; C684-E687 PolarHBondContact O-N 2.97Å; A685-E687 PolarHBondContact O-N 2.98Å; E687-D689 VanDerWaalsContact C-N 3.25Å; E687-D689 PolarHBondContact O-N 2.97Å; E687-D689 VanDerWaalsContact O-N 3.16Å; E687-N690 WeakPolarHBondContact CB-ND2 3.06Å; E687-N690 WeakPolarHBondContact O-CB 3.33Å; E687-N690 PolarHBondContact O-N 2.82Å; E687-N690 PolarHBondContact OE2-ND2 3.31Å
688	R	67.5	Low	79.6	Confident	225 Å²	225	74.1 Å²	74.1	85%	0.849	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-57.9	-36.2	-161.6	-66.2	-178.3	179.5	176.6	-0.3	113.6	N690 V691	R688-N690 PolarHBondContact O-N 2.8Å; R688-V691 WeakPolarHBondContact O-CB 3.35Å; R688-V691 PolarHBondContact O-N 2.63Å; R688-V691 VanDerWaalsContact O-N 3.11Å
689	D	69.3	Low	78.6	Confident	136 Å²	136	75.1 Å²	75.1	73%	0.727	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-70.6	-15.6	-175.1	-50.7	-16.3	0	0	0	112.2	E687	E687-D689 VanDerWaalsContact C-N 3.25Å; E687-D689 PolarHBondContact O-N 2.97Å; E687-D689 VanDerWaalsContact O-N 3.16Å
690	N	62.6	Low	77.6	Confident	15 Å²	15	71.1 Å²	71.1	8%	0.08	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-94.4	10.3	175.3	-53.4	-48.9	0	0	0	113.1	C654 I659 C684 E687 R688	C654-N690 VanDerWaalsContact CB-OD1 3.23Å; C654-N690 WeakPolarHBondContact CB-OD1 3.48Å; I659-N690 HydrophobicContact CD1-CB 3.83Å; C684-N690 PolarHBondContact O-ND2 3.32Å; E687-N690 WeakPolarHBondContact CB-ND2 3.06Å; E687-N690 WeakPolarHBondContact O-CB 3.33Å; E687-N690 PolarHBondContact O-N 2.82Å; E687-N690 PolarHBondContact OE2-ND2 3.31Å; R688-N690 PolarHBondContact O-N 2.8Å
691	V	60.8	Low	76.2	Confident	101 Å²	101	77 Å²	77	61%	0.612	47%	0.466	S	S	*	.			trans	-112.9	1.7	-177.3	-168.6	0	0	0	0	111.8	A685 R688	A685-V691 HydrophobicContact CB-CG2 4.44Å; A685-V691 WeakPolarHBondContact O-CG2 3.41Å; R688-V691 WeakPolarHBondContact O-CB 3.35Å; R688-V691 PolarHBondContact O-N 2.63Å; R688-V691 VanDerWaalsContact O-N 3.11Å
692	A	50.1	Low	74.8	Confident	152 Å²	152	80.7 Å²	80.7	100%	1.256	49%	0.488	S	S	*	.			trans	-97.2	0	173.7	0	0	0	0	0	111.8

Retrieved 692 of 692 residues in 736.9 ms (Link to these results)

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