A0A3Q0KPF0_SCHMA Loading...

Exocyst complex component 5

AlphaFold DB (A0A5K4EQN0), UniProt , Accession A0A3Q0KPF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 728 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	41.3	Very low	244 Å²	244	123 Å²	123	100%	1.202	72%	0.721	S	S	*	*				0	92.1	0	-75.2	179.7	173.5	0	0	107.7
2	C	31.3	Very low	41.9	Very low	128 Å²	128	117.8 Å²	117.8	87%	0.865	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-72.9	138.2	168.9	-70.1	0	0	0	0	108.5	A4	C2-A4 PolarHBondContact O-N 3.22Å
3	P	34.7	Very low	42.4	Very low	121 Å²	121	115.2 Å²	115.2	79%	0.786	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-61.6	130.6	-177.7	22.6	-30.4	0	0	0	110.6	I5	P3-I5 PolarHBondContact O-N 3.38Å
4	A	40.5	Very low	42.9	Very low	101 Å²	101	113 Å²	113	84%	0.835	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-58.4	124.5	179.8	0	0	0	0	0	110.3	C2 N6	C2-A4 PolarHBondContact O-N 3.22Å; A4-N6 PolarHBondContact O-N 3.01Å
5	I	39.5	Very low	43.1	Very low	132 Å²	132	119.1 Å²	119.1	68%	0.677	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-66.4	119.6	175.6	-61.5	170.6	0	0	0	107.3	P3	P3-I5 PolarHBondContact O-N 3.38Å
6	N	37	Very low	43.7	Very low	124 Å²	124	115.8 Å²	115.8	66%	0.663	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-56.2	124.2	-175.2	-156.7	10.5	0	0	0	110.7	A4 D8	A4-N6 PolarHBondContact O-N 3.01Å; N6-D8 VanDerWaalsContact C-N 3.34Å; N6-D8 PolarHBondContact O-N 2.74Å
7	P	46.8	Very low	44.9	Very low	113 Å²	113	111 Å²	111	73%	0.734	65%	0.645	S	S	*	*			trans	-81.7	0.5	-169.3	29.9	-34.4	0	0	0	115.7	L9	P7-L9 PolarHBondContact O-N 3.43Å
8	D	40.6	Very low	46.1	Very low	145 Å²	145	115.9 Å²	115.9	78%	0.775	65%	0.652	S	S	*	*			trans	-79.8	80.8	178	-77.5	-21.7	0	0	0	111.9	N6	N6-D8 VanDerWaalsContact C-N 3.34Å; N6-D8 PolarHBondContact O-N 2.74Å
9	L	47	Very low	47.2	Very low	68 Å²	68	111 Å²	111	36%	0.356	63%	0.63	S	S	.	*			trans	-113.9	67	169.3	-81.9	156.3	0	0	0	110	P7 F57 Q64	P7-L9 PolarHBondContact O-N 3.43Å; L9-F57 HydrophobicContact CD2-CE2 4.24Å; L9-Q64 VanDerWaalsContact CD1-OE1 3.22Å
10	S	52.5	Low	48.1	Very low	101 Å²	101	105.8 Å²	105.8	71%	0.706	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-71.6	142.8	154.9	57.2	0	0	0	0	108.5	P12	S10-P12 WeakPolarHBondContact O-CD 3.44Å; S10-P12 VanDerWaalsContact O-N 3.08Å
11	F	50.5	Low	49	Very low	76 Å²	76	103.1 Å²	103.1	33%	0.333	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-55.4	119.9	175.8	-163.2	-99.5	0	0	0	107.8	S13 Y54 F57	F11-S13 PolarHBondContact O-N 3.13Å; F11-Y54 HydrophobicContact CD2-CD2 4.17Å; F11-Y54 AromaticContact CE2-CD2 3.67Å; F11-Y54 HydrophobicContact CE2-CD2 3.67Å; F11-Y54 HydrophobicContact CE2-CE2 4.49Å; F11-Y54 AromaticContact CZ-CD2 3.99Å; F11-Y54 HydrophobicContact CZ-CD2 3.99Å; F11-F57 HydrophobicContact CB-CZ 4.45Å; F11-F57 HydrophobicContact CD2-CB 4.19Å; F11-F57 AromaticContact CD2-CD1 3.59Å; F11-F57 HydrophobicContact CD2-CD1 3.59Å; F11-F57 AromaticContact CD2-CD2 3.93Å; F11-F57 HydrophobicContact CD2-CD2 3.93Å; F11-F57 AromaticContact CD2-CE1 3.87Å; F11-F57 HydrophobicContact CD2-CE1 3.87Å; F11-F57 HydrophobicContact CD2-CE2 4.18Å; F11-F57 AromaticContact CD2-CG 3.63Å; F11-F57 HydrophobicContact CD2-CG 3.63Å; F11-F57 HydrophobicContact CD2-CZ 4.15Å; F11-F57 HydrophobicContact CE2-CB 3.81Å; F11-F57 HydrophobicContact CE2-CD1 4.03Å; F11-F57 HydrophobicContact CE2-CD2 4.29Å; F11-F57 AromaticContact CE2-CG 3.78Å; F11-F57 HydrophobicContact CE2-CG 3.78Å
12	P	49.5	Very low	50.8	Low	60 Å²	60	96.7 Å²	96.7	39%	0.39	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-57	122.2	-178.7	-19.1	28.4	0	0	0	107.5	S10 V14	S10-P12 WeakPolarHBondContact O-CD 3.44Å; S10-P12 VanDerWaalsContact O-N 3.08Å; P12-V14 PolarHBondContact O-N 3.36Å
13	S	48.2	Very low	52.5	Low	84 Å²	84	91.6 Å²	91.6	59%	0.587	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-46.8	139.4	176.8	72	0	0	0	0	108.7	F11 K15 S16	F11-S13 PolarHBondContact O-N 3.13Å; S13-K15 PolarHBondContact O-N 3.35Å; S13-S16 PolarHBondContact O-N 3.02Å
14	V	49	Very low	54	Low	85 Å²	85	87.9 Å²	87.9	52%	0.515	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-45	-27.9	-170.4	179.8	0	0	0	0	113.4	P12 S16 N17 V20	P12-V14 PolarHBondContact O-N 3.36Å; V14-S16 VanDerWaalsContact C-N 3.26Å; V14-S16 PolarHBondContact O-N 3.23Å; V14-N17 PolarHBondContact O-N 2.96Å; V14-V20 HydrophobicContact CG1-CG1 4.2Å
15	K	46.6	Very low	55.3	Low	205 Å²	205	92.6 Å²	92.6	89%	0.891	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-60.6	-22.2	173.8	-70.6	-173.1	176	-179.1	0	115.9	S13	S13-K15 PolarHBondContact O-N 3.35Å
16	S	52.8	Low	56.5	Low	65 Å²	65	90.6 Å²	90.6	46%	0.455	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-98.8	-6.3	-179	-160.6	0	0	0	0	113.3	S13 V14 Y18	S13-S16 PolarHBondContact O-N 3.02Å; V14-S16 VanDerWaalsContact C-N 3.26Å; V14-S16 PolarHBondContact O-N 3.23Å; S16-Y18 PolarHBondContact O-N 3.15Å; S16-Y18 VanDerWaalsContact O-N 3.09Å
17	N	62.5	Low	57.9	Low	35 Å²	35	86.4 Å²	86.4	19%	0.187	47%	0.465	C	S	.	.			trans	-85	93.4	-176.1	-151.9	-28.7	0	0	0	110.3	V14 G19 V20 A21	V14-N17 PolarHBondContact O-N 2.96Å; N17-G19 PolarHBondContact O-N 3.37Å; N17-G19 VanDerWaalsContact O-N 3.08Å; N17-V20 HydrophobicContact CB-CB 4.32Å; N17-V20 HydrophobicContact CB-CG2 4.06Å; N17-V20 PolarHBondContact O-N 3.49Å; N17-A21 PolarHBondContact O-N 3.29Å
18	Y	67.2	Low	58.7	Low	199 Å²	199	88 Å²	88	78%	0.78	46%	0.46	S	S	*	.	H	α-helix	trans	-50.9	-33.9	-177.6	-66.2	-83	0	0	0	113.3	S16 A21 L22	S16-Y18 PolarHBondContact O-N 3.15Å; S16-Y18 VanDerWaalsContact O-N 3.09Å; Y18-A21 PolarHBondContact O-N 3.21Å; Y18-L22 WeakPolarHBondContact O-CB 3.41Å; Y18-L22 PolarHBondContact O-N 2.58Å
19	G	67.8	Low	59.9	Low	23 Å²	23	85.5 Å²	85.5	24%	0.237	45%	0.454	C	S	.	.	H	α-helix	trans	-66.3	-43.5	177.5	0	0	0	0	0	113.1	N17 L22 L23	N17-G19 PolarHBondContact O-N 3.37Å; N17-G19 VanDerWaalsContact O-N 3.08Å; G19-L22 PolarHBondContact O-N 3.24Å; G19-L23 PolarHBondContact O-N 3.4Å; G19-L23 VanDerWaalsContact O-N 3.1Å
20	V	65.3	Low	60.3	Low	7 Å²	7	87.2 Å²	87.2	4%	0.042	47%	0.467	C	S	.	.	H	α-helix	trans	-68.6	-40.6	175.4	-178.8	0	0	0	0	110.5	V14 N17 L22 L23 D24 K46 E50 L53	V14-V20 HydrophobicContact CG1-CG1 4.2Å; N17-V20 HydrophobicContact CB-CB 4.32Å; N17-V20 HydrophobicContact CB-CG2 4.06Å; N17-V20 PolarHBondContact O-N 3.49Å; V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 2.98Å; V20-L23 PolarHBondContact O-N 3.46Å; V20-D24 WeakPolarHBondContact O-CB 3.4Å; V20-D24 PolarHBondContact O-N 3.07Å; V20-K46 HydrophobicContact CG1-CG 4.37Å; V20-E50 HydrophobicContact CG1-CG 4.11Å; V20-E50 VanDerWaalsContact CG1-OE1 3.27Å; V20-E50 WeakPolarHBondContact CG1-OE1 3.29Å; V20-E50 HydrophobicContact CG2-CG 3.75Å; V20-L53 HydrophobicContact CG2-CD1 3.81Å
21	A	66.8	Low	60.3	Low	50 Å²	50	84.1 Å²	84.1	41%	0.413	44%	0.442	S	S	.	.	H	α-helix	trans	-63.7	-36.9	176.6	0	0	0	0	0	112.7	N17 Y18 D24 R25	N17-A21 PolarHBondContact O-N 3.29Å; Y18-A21 PolarHBondContact O-N 3.21Å; A21-D24 PolarHBondContact O-N 3.05Å; A21-R25 WeakPolarHBondContact O-CB 3.42Å; A21-R25 PolarHBondContact O-N 2.77Å
22	L	69.8	Low	60.4	Low	108 Å²	108	83.6 Å²	83.6	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-63.5	-48.6	173.5	-173.6	85.7	0	0	0	110.6	Y18 G19 V20 D24 R25 L26	Y18-L22 WeakPolarHBondContact O-CB 3.41Å; Y18-L22 PolarHBondContact O-N 2.58Å; G19-L22 PolarHBondContact O-N 3.24Å; V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 2.98Å; L22-D24 VanDerWaalsContact C-N 3.3Å; L22-D24 PolarHBondContact O-N 2.89Å; L22-R25 WeakPolarHBondContact O-CB 3.42Å; L22-R25 PolarHBondContact O-N 3.28Å; L22-L26 HydrophobicContact CD2-CD1 4.22Å; L22-L26 HydrophobicContact CG-CD1 4.05Å; L22-L26 WeakPolarHBondContact O-CB 3.4Å; L22-L26 WeakPolarHBondContact O-CG 3.49Å; L22-L26 PolarHBondContact O-N 2.88Å
23	L	66.7	Low	60.5	Low	21 Å²	21	88.1 Å²	88.1	11%	0.11	48%	0.478	C	S	.	.	H	α-helix	trans	-60.2	-40.2	176.5	-114.7	122.1	0	0	0	112	G19 V20 L26 T27 L45 F49	G19-L23 PolarHBondContact O-N 3.4Å; G19-L23 VanDerWaalsContact O-N 3.1Å; V20-L23 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 3.03Å; L23-T27 VanDerWaalsContact O-CB 3.24Å; L23-T27 WeakPolarHBondContact O-CB 3.3Å; L23-T27 PolarHBondContact O-N 2.83Å; L23-T27 PolarHBondContact O-OG1 2.99Å; L23-L45 HydrophobicContact CD2-CB 4.25Å; L23-L45 HydrophobicContact CD2-CD2 3.95Å; L23-L45 HydrophobicContact CD2-CG 4.38Å; L23-F49 HydrophobicContact CD1-CB 3.93Å; L23-F49 HydrophobicContact CD1-CD1 3.71Å; L23-F49 HydrophobicContact CD1-CD2 3.78Å; L23-F49 HydrophobicContact CD1-CE1 4.12Å; L23-F49 HydrophobicContact CD1-CE2 4.19Å; L23-F49 HydrophobicContact CD1-CG 3.53Å; L23-F49 HydrophobicContact CD1-CZ 4.35Å
24	D	67.1	Low	60.6	Low	43 Å²	43	89.4 Å²	89.4	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-65.4	-40.4	176.6	-155.4	70.9	0	0	0	111.2	V20 A21 L22 K28 K46	V20-D24 WeakPolarHBondContact O-CB 3.4Å; V20-D24 PolarHBondContact O-N 3.07Å; A21-D24 PolarHBondContact O-N 3.05Å; L22-D24 VanDerWaalsContact C-N 3.3Å; L22-D24 PolarHBondContact O-N 2.89Å; D24-K28 WeakPolarHBondContact O-CB 3.46Å; D24-K28 VanDerWaalsContact O-CG 3.3Å; D24-K28 WeakPolarHBondContact O-CG 3.28Å; D24-K28 PolarHBondContact O-N 3.33Å; D24-K28 VanDerWaalsContact OD2-CE 3.32Å; D24-K28 WeakPolarHBondContact OD2-CE 3.31Å; D24-K28 IonicContact OD2-NZ 2.84Å; D24-K28 PolarHBondContact OD2-NZ 3.23Å; D24-K46 IonicContact OD1-NZ 3.73Å; D24-K46 PolarHBondContact OD1-NZ 3.41Å
25	R	68.2	Low	60.8	Low	200 Å²	200	89.6 Å²	89.6	76%	0.755	49%	0.486	S	S	*	.	H	α-helix	trans	-63.2	-48.9	172.8	-102.4	-179.2	170.1	163	-2.3	112	A21 L22 T27 K28 S29	A21-R25 WeakPolarHBondContact O-CB 3.42Å; A21-R25 PolarHBondContact O-N 2.77Å; L22-R25 WeakPolarHBondContact O-CB 3.42Å; L22-R25 PolarHBondContact O-N 3.28Å; R25-T27 VanDerWaalsContact C-N 3.33Å; R25-T27 PolarHBondContact O-N 2.85Å; R25-K28 PolarHBondContact O-N 3.23Å; R25-S29 WeakPolarHBondContact O-CB 3.41Å; R25-S29 PolarHBondContact O-N 3.39Å; R25-S29 PolarHBondContact O-OG 3.37Å; R25-S29 VanDerWaalsContact O-OG 3.09Å
26	L	65.4	Low	61.2	Low	90 Å²	90	86.3 Å²	86.3	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-61.5	-43.7	178.8	-74	168.7	0	0	0	110.9	L22 L23 K28 S29 V30	L22-L26 HydrophobicContact CD2-CD1 4.22Å; L22-L26 HydrophobicContact CG-CD1 4.05Å; L22-L26 WeakPolarHBondContact O-CB 3.4Å; L22-L26 WeakPolarHBondContact O-CG 3.49Å; L22-L26 PolarHBondContact O-N 2.88Å; L23-L26 PolarHBondContact O-N 3.03Å; L26-K28 PolarHBondContact O-N 3.4Å; L26-S29 WeakPolarHBondContact CA-OG 3.38Å; L26-S29 PolarHBondContact O-N 3.24Å; L26-S29 PolarHBondContact O-OG 3.01Å; L26-S29 VanDerWaalsContact O-OG 3.14Å; L26-V30 WeakPolarHBondContact O-CB 3.18Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.32Å
27	T	64.8	Low	61.1	Low	36 Å²	36	91.8 Å²	91.8	22%	0.221	50%	0.504	C	S	.	.	H	α-helix	trans	-58.9	-49.6	175	-61.6	0	0	0	0	111.1	L23 R25 L31 P42	L23-T27 VanDerWaalsContact O-CB 3.24Å; L23-T27 WeakPolarHBondContact O-CB 3.3Å; L23-T27 PolarHBondContact O-N 2.83Å; L23-T27 PolarHBondContact O-OG1 2.99Å; R25-T27 VanDerWaalsContact C-N 3.33Å; R25-T27 PolarHBondContact O-N 2.85Å; T27-L31 HydrophobicContact CG2-CD1 4.32Å; T27-L31 WeakPolarHBondContact O-CB 3.34Å; T27-L31 PolarHBondContact O-N 2.93Å; T27-P42 HydrophobicContact CG2-CB 3.3Å; T27-P42 HydrophobicContact CG2-CG 3.71Å
28	K	65.3	Low	60.7	Low	147 Å²	147	93.8 Å²	93.8	64%	0.639	52%	0.517	S	S	*	.	H	α-helix	trans	-67.1	-34.4	179.8	-76.1	169.4	175.8	161.9	0	113.5	D24 R25 L26	D24-K28 WeakPolarHBondContact O-CB 3.46Å; D24-K28 VanDerWaalsContact O-CG 3.3Å; D24-K28 WeakPolarHBondContact O-CG 3.28Å; D24-K28 PolarHBondContact O-N 3.33Å; D24-K28 VanDerWaalsContact OD2-CE 3.32Å; D24-K28 WeakPolarHBondContact OD2-CE 3.31Å; D24-K28 IonicContact OD2-NZ 2.84Å; D24-K28 PolarHBondContact OD2-NZ 3.23Å; R25-K28 PolarHBondContact O-N 3.23Å; L26-K28 PolarHBondContact O-N 3.4Å
29	S	63.9	Low	60.2	Low	92 Å²	92	93.3 Å²	93.3	64%	0.643	52%	0.522	S	S	*	.	H	α-helix	trans	-79.9	-30.9	-179.4	64.2	0	0	0	0	113	R25 L26	R25-S29 WeakPolarHBondContact O-CB 3.41Å; R25-S29 PolarHBondContact O-N 3.39Å; R25-S29 PolarHBondContact O-OG 3.37Å; R25-S29 VanDerWaalsContact O-OG 3.09Å; L26-S29 WeakPolarHBondContact CA-OG 3.38Å; L26-S29 PolarHBondContact O-N 3.24Å; L26-S29 PolarHBondContact O-OG 3.01Å; L26-S29 VanDerWaalsContact O-OG 3.14Å
30	V	57.4	Low	59.8	Low	104 Å²	104	97.6 Å²	97.6	63%	0.63	54%	0.539	S	S	*	.	H	α-helix	trans	-93.6	-29.8	-175.6	178.4	0	0	0	0	111.8	L26	L26-V30 WeakPolarHBondContact O-CB 3.18Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.32Å
31	L	52.4	Low	59.7	Low	36 Å²	36	103.6 Å²	103.6	19%	0.188	56%	0.564	C	S	.	*			trans	-115	77.3	-177.2	-60.2	166.4	0	0	0	109.9	T27 I33 P42	T27-L31 HydrophobicContact CG2-CD1 4.32Å; T27-L31 WeakPolarHBondContact O-CB 3.34Å; T27-L31 PolarHBondContact O-N 2.93Å; L31-I33 PolarHBondContact O-N 3.46Å; L31-P42 HydrophobicContact CD1-CB 3.71Å; L31-P42 HydrophobicContact CD1-CG 3.41Å; L31-P42 VanDerWaalsContact CD1-CG 3.41Å
32	G	52.2	Low	59.6	Low	66 Å²	66	102.3 Å²	102.3	68%	0.68	55%	0.552	S	S	*	*	S	Bend	trans	-53.5	135.7	153.6	0	0	0	0	0	108.8
33	I	50.6	Low	59.7	Low	154 Å²	154	104.4 Å²	104.4	79%	0.79	56%	0.559	S	S	*	*	S	Bend	trans	17.6	102.3	177.3	-50.7	175.6	0	0	0	114.5	L31 T35	L31-I33 PolarHBondContact O-N 3.46Å; I33-T35 PolarHBondContact O-N 3.32Å
34	P	50.2	Low	60.1	Low	111 Å²	111	109 Å²	109	72%	0.721	58%	0.578	S	S	*	*			trans	-55	113.3	-176.1	-22.2	30.8	0	0	0	112.8
35	T	53.1	Low	60.4	Low	89 Å²	89	111.9 Å²	111.9	55%	0.546	59%	0.593	S	S	.	*			trans	-93.6	144.3	165.9	42.7	0	0	0	0	110	I33 E37 T38	I33-T35 PolarHBondContact O-N 3.32Å; T35-E37 PolarHBondContact O-N 2.98Å; T35-T38 PolarHBondContact O-OG1 3.44Å
36	P	55.4	Low	60.6	Low	136 Å²	136	105 Å²	105	88%	0.883	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-3	-172.3	22.9	-31.9	0	0	0	115.9
37	E	50.3	Low	61.2	Low	181 Å²	181	106.6 Å²	106.6	85%	0.846	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-9.1	-174.9	-64.9	-176.3	176.2	0	0	115.1	T35	T35-E37 PolarHBondContact O-N 2.98Å
38	T	54.8	Low	62	Low	77 Å²	77	112.1 Å²	112.1	47%	0.472	60%	0.597	S	S	.	*			trans	-96.5	107.8	172.9	35.2	0	0	0	0	110.5	T35 L40	T35-T38 PolarHBondContact O-OG1 3.44Å; T38-L40 PolarHBondContact O-N 2.82Å
39	E	57.6	Low	62.6	Low	188 Å²	188	109.6 Å²	109.6	88%	0.879	59%	0.586	S	S	*	*			trans	-61.4	-8	-179.2	-72.9	-172.2	146.8	0	0	115.2	K41	E39-K41 PolarHBondContact O-N 2.98Å
40	L	57.6	Low	63.5	Low	113 Å²	113	108.3 Å²	108.3	59%	0.592	57%	0.569	S	S	*	*			trans	-70.3	106.4	175.1	-140.1	85.4	0	0	0	109	T38 P42	T38-L40 PolarHBondContact O-N 2.82Å; L40-P42 VanDerWaalsContact C-CD 3.49Å; L40-P42 WeakPolarHBondContact O-CD 3.5Å
41	K	64	Low	64.7	Low	133 Å²	133	104.9 Å²	104.9	58%	0.578	56%	0.555	S	S	*	*			trans	-90.7	84.1	173.4	-67.3	178	-178.2	176.2	0	109	E39 Q43 K44 L45	E39-K41 PolarHBondContact O-N 2.98Å; K41-Q43 PolarHBondContact O-N 3.07Å; K41-K44 HydrophobicContact CB-CB 4.05Å; K41-K44 HydrophobicContact CB-CD 4.15Å; K41-K44 HydrophobicContact CB-CG 3.98Å; K41-K44 HydrophobicContact CD-CD 3.81Å; K41-K44 HydrophobicContact CD-CG 4.36Å; K41-K44 WeakPolarHBondContact O-CB 3.3Å; K41-K44 PolarHBondContact O-N 2.73Å; K41-L45 PolarHBondContact O-N 2.95Å
42	P	65.1	Low	66.1	Low	24 Å²	24	105.6 Å²	105.6	16%	0.156	57%	0.567	C	S	.	*	H	α-helix	trans	-60.1	-31.2	-174	28.2	-40.8	0	0	0	113.4	T27 L31 L40 K44 L45 K46	T27-P42 HydrophobicContact CG2-CB 3.3Å; T27-P42 HydrophobicContact CG2-CG 3.71Å; L31-P42 HydrophobicContact CD1-CB 3.71Å; L31-P42 HydrophobicContact CD1-CG 3.41Å; L31-P42 VanDerWaalsContact CD1-CG 3.41Å; L40-P42 VanDerWaalsContact C-CD 3.49Å; L40-P42 WeakPolarHBondContact O-CD 3.5Å; P42-K44 VanDerWaalsContact C-N 3.34Å; P42-K44 PolarHBondContact O-N 3.04Å; P42-L45 WeakPolarHBondContact O-CB 3.43Å; P42-L45 PolarHBondContact O-N 3.18Å; P42-K46 WeakPolarHBondContact O-CB 3.37Å; P42-K46 PolarHBondContact O-N 3.37Å
43	Q	71.5	Confident	67.5	Low	151 Å²	151	104.7 Å²	104.7	71%	0.706	55%	0.546	S	S	*	.	H	α-helix	trans	-60.4	-42.6	173.8	-86.2	160.9	-27.8	0	0	111.8	K41 L45 K46 E47	K41-Q43 PolarHBondContact O-N 3.07Å; Q43-L45 VanDerWaalsContact C-N 3.34Å; Q43-L45 PolarHBondContact O-N 2.59Å; Q43-K46 PolarHBondContact O-N 2.73Å; Q43-E47 WeakPolarHBondContact O-CB 3.36Å; Q43-E47 VanDerWaalsContact O-CG 3.27Å; Q43-E47 WeakPolarHBondContact O-CG 3.42Å; Q43-E47 PolarHBondContact O-N 3.49Å
44	K	75.3	Confident	69.1	Low	117 Å²	117	103.1 Å²	103.1	51%	0.509	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-38.4	174.3	-71.4	-165.4	174.5	-164.3	0	112.3	K41 P42 K46 E47 H48	K41-K44 HydrophobicContact CB-CB 4.05Å; K41-K44 HydrophobicContact CB-CD 4.15Å; K41-K44 HydrophobicContact CB-CG 3.98Å; K41-K44 HydrophobicContact CD-CD 3.81Å; K41-K44 HydrophobicContact CD-CG 4.36Å; K41-K44 WeakPolarHBondContact O-CB 3.3Å; K41-K44 PolarHBondContact O-N 2.73Å; P42-K44 VanDerWaalsContact C-N 3.34Å; P42-K44 PolarHBondContact O-N 3.04Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K44-E47 PolarHBondContact O-N 2.72Å; K44-H48 WeakPolarHBondContact O-CB 3.42Å; K44-H48 PolarHBondContact O-N 2.9Å
45	L	72.9	Confident	70.8	Confident	104 Å²	104	104.4 Å²	104.4	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-42.4	177.7	-143.2	87.3	0	0	0	110.8	L23 K41 P42 Q43 H48 F49	L23-L45 HydrophobicContact CD2-CB 4.25Å; L23-L45 HydrophobicContact CD2-CD2 3.95Å; L23-L45 HydrophobicContact CD2-CG 4.38Å; K41-L45 PolarHBondContact O-N 2.95Å; P42-L45 WeakPolarHBondContact O-CB 3.43Å; P42-L45 PolarHBondContact O-N 3.18Å; Q43-L45 VanDerWaalsContact C-N 3.34Å; Q43-L45 PolarHBondContact O-N 2.59Å; L45-H48 PolarHBondContact O-N 2.96Å; L45-F49 WeakPolarHBondContact O-CB 3.28Å; L45-F49 PolarHBondContact O-N 2.84Å
46	K	73	Confident	72.3	Confident	56 Å²	56	106 Å²	106	24%	0.243	53%	0.532	C	S	.	.	H	α-helix	trans	-62.9	-47.9	174.7	-174.9	177.9	178.9	174.6	0	111.7	V20 D24 P42 Q43 K44 H48 F49 E50	V20-K46 HydrophobicContact CG1-CG 4.37Å; D24-K46 IonicContact OD1-NZ 3.73Å; D24-K46 PolarHBondContact OD1-NZ 3.41Å; P42-K46 WeakPolarHBondContact O-CB 3.37Å; P42-K46 PolarHBondContact O-N 3.37Å; Q43-K46 PolarHBondContact O-N 2.73Å; K44-K46 VanDerWaalsContact C-N 3.33Å; K46-H48 VanDerWaalsContact C-N 3.34Å; K46-H48 PolarHBondContact O-N 3.27Å; K46-F49 PolarHBondContact O-N 3.12Å; K46-E50 WeakPolarHBondContact CE-OE1 3.41Å; K46-E50 HydrophobicContact CG-CG 4.41Å; K46-E50 WeakPolarHBondContact O-CB 3.21Å; K46-E50 WeakPolarHBondContact O-CG 3.5Å; K46-E50 PolarHBondContact O-N 2.85Å
47	E	78.8	Confident	73.7	Confident	124 Å²	124	101.5 Å²	101.5	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-58	-44.3	175.7	-74.1	165.7	-173.6	0	0	111.8	Q43 K44 G51	Q43-E47 WeakPolarHBondContact O-CB 3.36Å; Q43-E47 VanDerWaalsContact O-CG 3.27Å; Q43-E47 WeakPolarHBondContact O-CG 3.42Å; Q43-E47 PolarHBondContact O-N 3.49Å; K44-E47 PolarHBondContact O-N 2.72Å; E47-G51 PolarHBondContact O-N 3.28Å
48	H	80.1	Confident	75.5	Confident	152 Å²	152	95.9 Å²	95.9	70%	0.704	47%	0.474	S	S	*	.	H	α-helix	trans	-64.7	-42.2	176.4	-99	-68.8	0	0	0	112.7	K44 L45 K46 G51 A52	K44-H48 WeakPolarHBondContact O-CB 3.42Å; K44-H48 PolarHBondContact O-N 2.9Å; L45-H48 PolarHBondContact O-N 2.96Å; K46-H48 VanDerWaalsContact C-N 3.34Å; K46-H48 PolarHBondContact O-N 3.27Å; H48-G51 PolarHBondContact O-N 2.9Å; H48-A52 WeakPolarHBondContact O-CB 3.46Å; H48-A52 PolarHBondContact O-N 3.48Å
49	F	79.4	Confident	77.1	Confident	94 Å²	94	96.5 Å²	96.5	41%	0.412	47%	0.474	S	S	.	.	H	α-helix	trans	-70.5	-38.8	180	-151.3	-93.1	0	0	0	111.7	L23 L45 K46 G51 A52 L53	L23-F49 HydrophobicContact CD1-CB 3.93Å; L23-F49 HydrophobicContact CD1-CD1 3.71Å; L23-F49 HydrophobicContact CD1-CD2 3.78Å; L23-F49 HydrophobicContact CD1-CE1 4.12Å; L23-F49 HydrophobicContact CD1-CE2 4.19Å; L23-F49 HydrophobicContact CD1-CG 3.53Å; L23-F49 HydrophobicContact CD1-CZ 4.35Å; L45-F49 WeakPolarHBondContact O-CB 3.28Å; L45-F49 PolarHBondContact O-N 2.84Å; K46-F49 PolarHBondContact O-N 3.12Å; F49-G51 VanDerWaalsContact C-N 3.33Å; F49-A52 PolarHBondContact O-N 3.47Å; F49-L53 HydrophobicContact CD1-CD1 3.57Å; F49-L53 HydrophobicContact CD1-CG 4.18Å; F49-L53 HydrophobicContact CE1-CD1 3.77Å; F49-L53 HydrophobicContact CE1-CG 4.22Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-L53 WeakPolarHBondContact O-CG 3.32Å; F49-L53 PolarHBondContact O-N 3.29Å
50	E	82	Confident	78.5	Confident	64 Å²	64	92.5 Å²	92.5	30%	0.299	45%	0.454	S	S	.	.	H	α-helix	trans	-60.9	-42.7	170.5	-76	176.5	178.4	0	0	111	V20 K46 Y54	V20-E50 HydrophobicContact CG1-CG 4.11Å; V20-E50 VanDerWaalsContact CG1-OE1 3.27Å; V20-E50 WeakPolarHBondContact CG1-OE1 3.29Å; V20-E50 HydrophobicContact CG2-CG 3.75Å; K46-E50 WeakPolarHBondContact CE-OE1 3.41Å; K46-E50 HydrophobicContact CG-CG 4.41Å; K46-E50 WeakPolarHBondContact O-CB 3.21Å; K46-E50 WeakPolarHBondContact O-CG 3.5Å; K46-E50 PolarHBondContact O-N 2.85Å; E50-Y54 WeakPolarHBondContact O-CB 3.31Å; E50-Y54 PolarHBondContact O-N 3.41Å
51	G	82.4	Confident	80	Confident	32 Å²	32	89 Å²	89	33%	0.33	44%	0.438	S	S	.	.	H	α-helix	trans	-60.7	-50.2	173.7	0	0	0	0	0	112.9	E47 H48 F49 L53 Y54 E55	E47-G51 PolarHBondContact O-N 3.28Å; H48-G51 PolarHBondContact O-N 2.9Å; F49-G51 VanDerWaalsContact C-N 3.33Å; G51-L53 PolarHBondContact O-N 2.77Å; G51-Y54 WeakPolarHBondContact O-CB 3.17Å; G51-Y54 PolarHBondContact O-N 2.99Å; G51-Y54 VanDerWaalsContact O-N 3.14Å; G51-E55 WeakPolarHBondContact O-CG 3.47Å; G51-E55 PolarHBondContact O-N 3.33Å
52	A	81.8	Confident	81.2	Confident	52 Å²	52	90.2 Å²	90.2	43%	0.43	44%	0.439	S	S	.	.	H	α-helix	trans	-63.4	-39.8	178.8	0	0	0	0	0	112.4	H48 F49 Y54 E55 L56	H48-A52 WeakPolarHBondContact O-CB 3.46Å; H48-A52 PolarHBondContact O-N 3.48Å; F49-A52 PolarHBondContact O-N 3.47Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; A52-E55 PolarHBondContact O-N 2.96Å; A52-L56 WeakPolarHBondContact O-CB 3.47Å; A52-L56 PolarHBondContact O-N 2.9Å
53	L	82.2	Confident	82.5	Confident	47 Å²	47	93.7 Å²	93.7	25%	0.246	46%	0.456	C	S	.	.	H	α-helix	trans	-63.5	-39.3	173.4	-82.4	164.5	0	0	0	111.9	V20 F49 G51 L56 F57	V20-L53 HydrophobicContact CG2-CD1 3.81Å; F49-L53 HydrophobicContact CD1-CD1 3.57Å; F49-L53 HydrophobicContact CD1-CG 4.18Å; F49-L53 HydrophobicContact CE1-CD1 3.77Å; F49-L53 HydrophobicContact CE1-CG 4.22Å; F49-L53 WeakPolarHBondContact O-CB 3.46Å; F49-L53 WeakPolarHBondContact O-CG 3.32Å; F49-L53 PolarHBondContact O-N 3.29Å; G51-L53 PolarHBondContact O-N 2.77Å; L53-L56 PolarHBondContact O-N 3.35Å; L53-F57 WeakPolarHBondContact O-CB 3.49Å; L53-F57 PolarHBondContact O-N 2.98Å
54	Y	83.3	Confident	83.3	Confident	121 Å²	121	89.3 Å²	89.3	48%	0.475	44%	0.435	S	S	.	.	H	α-helix	trans	-66	-42.7	175.4	-176	-104	0	0	0	111.9	F11 E50 G51 A52 L56 F57 L58	F11-Y54 HydrophobicContact CD2-CD2 4.17Å; F11-Y54 AromaticContact CE2-CD2 3.67Å; F11-Y54 HydrophobicContact CE2-CD2 3.67Å; F11-Y54 HydrophobicContact CE2-CE2 4.49Å; F11-Y54 AromaticContact CZ-CD2 3.99Å; F11-Y54 HydrophobicContact CZ-CD2 3.99Å; E50-Y54 WeakPolarHBondContact O-CB 3.31Å; E50-Y54 PolarHBondContact O-N 3.41Å; G51-Y54 WeakPolarHBondContact O-CB 3.17Å; G51-Y54 PolarHBondContact O-N 2.99Å; G51-Y54 VanDerWaalsContact O-N 3.14Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; Y54-L56 PolarHBondContact O-N 3.31Å; Y54-F57 WeakPolarHBondContact O-CB 3.45Å; Y54-F57 PolarHBondContact O-N 2.93Å; Y54-L58 HydrophobicContact CD1-CD1 3.79Å; Y54-L58 HydrophobicContact CD1-CG 4.32Å; Y54-L58 HydrophobicContact CE1-CD1 3.36Å; Y54-L58 HydrophobicContact CE1-CG 3.98Å; Y54-L58 WeakPolarHBondContact O-CG 3.39Å; Y54-L58 PolarHBondContact O-N 3.43Å
55	E	86.3	Confident	84.1	Confident	138 Å²	138	89.2 Å²	89.2	65%	0.645	44%	0.437	S	S	*	.	H	α-helix	trans	-61.3	-43.4	173.8	-73.5	-174.7	175.1	0	0	112.3	G51 A52 F57 L58 L59	G51-E55 WeakPolarHBondContact O-CG 3.47Å; G51-E55 PolarHBondContact O-N 3.33Å; A52-E55 PolarHBondContact O-N 2.96Å; E55-F57 VanDerWaalsContact C-N 3.33Å; E55-F57 PolarHBondContact O-N 3.48Å; E55-L58 PolarHBondContact O-N 3.34Å; E55-L59 WeakPolarHBondContact O-CB 3.38Å; E55-L59 PolarHBondContact O-N 2.95Å
56	L	84.5	Confident	85	Confident	122 Å²	122	90.5 Å²	90.5	64%	0.639	44%	0.438	S	S	*	.	H	α-helix	trans	-67.7	-35.1	178.8	-155.9	129.6	0	0	0	111.6	A52 L53 Y54 L59 K60	A52-L56 WeakPolarHBondContact O-CB 3.47Å; A52-L56 PolarHBondContact O-N 2.9Å; L53-L56 PolarHBondContact O-N 3.35Å; Y54-L56 PolarHBondContact O-N 3.31Å; L56-L59 PolarHBondContact O-N 3.49Å; L56-K60 WeakPolarHBondContact O-CB 3.19Å; L56-K60 PolarHBondContact O-N 2.96Å
57	F	84.7	Confident	85.9	Confident	41 Å²	41	90.8 Å²	90.8	18%	0.18	45%	0.446	C	S	.	.	H	α-helix	trans	-64.3	-47.8	170.2	178.7	-91.9	0	0	0	111.6	L9 F11 L53 Y54 E55 L59 K60 S61	L9-F57 HydrophobicContact CD2-CE2 4.24Å; F11-F57 HydrophobicContact CB-CZ 4.45Å; F11-F57 HydrophobicContact CD2-CB 4.19Å; F11-F57 AromaticContact CD2-CD1 3.59Å; F11-F57 HydrophobicContact CD2-CD1 3.59Å; F11-F57 AromaticContact CD2-CD2 3.93Å; F11-F57 HydrophobicContact CD2-CD2 3.93Å; F11-F57 AromaticContact CD2-CE1 3.87Å; F11-F57 HydrophobicContact CD2-CE1 3.87Å; F11-F57 HydrophobicContact CD2-CE2 4.18Å; F11-F57 AromaticContact CD2-CG 3.63Å; F11-F57 HydrophobicContact CD2-CG 3.63Å; F11-F57 HydrophobicContact CD2-CZ 4.15Å; F11-F57 HydrophobicContact CE2-CB 3.81Å; F11-F57 HydrophobicContact CE2-CD1 4.03Å; F11-F57 HydrophobicContact CE2-CD2 4.29Å; F11-F57 AromaticContact CE2-CG 3.78Å; F11-F57 HydrophobicContact CE2-CG 3.78Å; L53-F57 WeakPolarHBondContact O-CB 3.49Å; L53-F57 PolarHBondContact O-N 2.98Å; Y54-F57 WeakPolarHBondContact O-CB 3.45Å; Y54-F57 PolarHBondContact O-N 2.93Å; E55-F57 VanDerWaalsContact C-N 3.33Å; E55-F57 PolarHBondContact O-N 3.48Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.32Å; F57-K60 PolarHBondContact O-N 3.35Å; F57-S61 PolarHBondContact O-N 2.91Å; F57-S61 PolarHBondContact O-OG 3.05Å; F57-S61 VanDerWaalsContact O-OG 3.12Å
58	L	87.6	Confident	86.4	Confident	63 Å²	63	87.5 Å²	87.5	33%	0.33	44%	0.437	S	S	.	.	H	α-helix	trans	-60.3	-38	175.8	-76.4	175.4	0	0	0	112.1	Y54 E55 R62	Y54-L58 HydrophobicContact CD1-CD1 3.79Å; Y54-L58 HydrophobicContact CD1-CG 4.32Å; Y54-L58 HydrophobicContact CE1-CD1 3.36Å; Y54-L58 HydrophobicContact CE1-CG 3.98Å; Y54-L58 WeakPolarHBondContact O-CG 3.39Å; Y54-L58 PolarHBondContact O-N 3.43Å; E55-L58 PolarHBondContact O-N 3.34Å; L58-R62 WeakPolarHBondContact O-CB 3.35Å; L58-R62 WeakPolarHBondContact O-CG 3.11Å; L58-R62 PolarHBondContact O-N 3.31Å; L58-R62 PolarHBondContact O-NE 2.93Å
59	L	89.2	Confident	87	Confident	90 Å²	90	85.8 Å²	85.8	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-67	-45	176.1	-175.5	63.3	0	0	0	111	E55 L56 F57 R62 L63	E55-L59 WeakPolarHBondContact O-CB 3.38Å; E55-L59 PolarHBondContact O-N 2.95Å; L56-L59 PolarHBondContact O-N 3.49Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.32Å; L59-R62 PolarHBondContact O-N 2.86Å; L59-L63 HydrophobicContact CD1-CD1 4.46Å; L59-L63 HydrophobicContact CG-CD1 4.12Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.41Å; L59-L63 PolarHBondContact O-N 3.14Å
60	K	87.4	Confident	87.7	Confident	105 Å²	105	87 Å²	87	46%	0.457	44%	0.438	S	S	.	.	H	α-helix	trans	-58.8	-47.9	174.9	-178.4	-177	174.7	-175.9	0	111.5	L56 F57 R62 L63 Q64	L56-K60 WeakPolarHBondContact O-CB 3.19Å; L56-K60 PolarHBondContact O-N 2.96Å; F57-K60 PolarHBondContact O-N 3.35Å; K60-R62 PolarHBondContact O-N 3.27Å; K60-L63 PolarHBondContact O-N 2.77Å; K60-Q64 WeakPolarHBondContact O-CG 3.37Å; K60-Q64 PolarHBondContact O-N 3.22Å
61	S	88.2	Confident	88.1	Confident	39 Å²	39	89.3 Å²	89.3	27%	0.273	45%	0.449	S	S	.	.	H	α-helix	trans	-61.4	-44.2	178.6	-61.4	0	0	0	0	111.7	F57 L63 Q64 E65	F57-S61 PolarHBondContact O-N 2.91Å; F57-S61 PolarHBondContact O-OG 3.05Å; F57-S61 VanDerWaalsContact O-OG 3.12Å; S61-L63 PolarHBondContact O-N 3.03Å; S61-Q64 PolarHBondContact O-N 3.13Å; S61-E65 WeakPolarHBondContact O-CB 3.23Å; S61-E65 PolarHBondContact O-N 2.86Å
62	R	90.3	Very high	88.6	Confident	158 Å²	158	91.5 Å²	91.5	60%	0.596	46%	0.456	S	S	*	.	H	α-helix	trans	-61.2	-42	174.3	-85.1	-174.6	-82.8	173.6	-8.6	112.8	L58 L59 K60 K66	L58-R62 WeakPolarHBondContact O-CB 3.35Å; L58-R62 WeakPolarHBondContact O-CG 3.11Å; L58-R62 PolarHBondContact O-N 3.31Å; L58-R62 PolarHBondContact O-NE 2.93Å; L59-R62 PolarHBondContact O-N 2.86Å; K60-R62 PolarHBondContact O-N 3.27Å; R62-K66 WeakPolarHBondContact O-CB 3.5Å; R62-K66 PolarHBondContact O-N 2.86Å
63	L	90.9	Very high	89.2	Confident	98 Å²	98	95.3 Å²	95.3	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-67.3	-39.5	177.9	-74.5	171.3	0	0	0	111.8	L59 K60 S61 K66 C67	L59-L63 HydrophobicContact CD1-CD1 4.46Å; L59-L63 HydrophobicContact CG-CD1 4.12Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.41Å; L59-L63 PolarHBondContact O-N 3.14Å; K60-L63 PolarHBondContact O-N 2.77Å; S61-L63 PolarHBondContact O-N 3.03Å; L63-K66 PolarHBondContact O-N 3.48Å; L63-C67 WeakPolarHBondContact O-CB 3.19Å; L63-C67 PolarHBondContact O-N 3.18Å; L63-C67 PolarHBondContact O-SG 3.38Å
64	Q	90	Very high	89.7	Confident	58 Å²	58	96.9 Å²	96.9	27%	0.271	48%	0.477	S	S	.	.	H	α-helix	trans	-65.5	-43.2	175.7	-78.1	-179	-56.3	0	0	112.1	L9 K60 S61 K66 C67 S68	L9-Q64 VanDerWaalsContact CD1-OE1 3.22Å; K60-Q64 WeakPolarHBondContact O-CG 3.37Å; K60-Q64 PolarHBondContact O-N 3.22Å; S61-Q64 PolarHBondContact O-N 3.13Å; Q64-K66 VanDerWaalsContact C-N 3.34Å; Q64-K66 PolarHBondContact O-N 3.44Å; Q64-C67 PolarHBondContact O-N 3.02Å; Q64-S68 PolarHBondContact O-N 3.46Å; Q64-S68 PolarHBondContact O-OG 3.12Å
65	E	91.1	Very high	90.2	Very high	115 Å²	115	98.4 Å²	98.4	54%	0.537	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-41.3	174.7	-171.3	179.1	-174.6	0	0	111.6	S61 C67 S68 Q69	S61-E65 WeakPolarHBondContact O-CB 3.23Å; S61-E65 PolarHBondContact O-N 2.86Å; E65-C67 VanDerWaalsContact C-N 3.35Å; E65-C67 PolarHBondContact O-N 3.42Å; E65-S68 PolarHBondContact O-N 3.42Å; E65-S68 PolarHBondContact O-OG 3.46Å; E65-Q69 WeakPolarHBondContact O-CB 3.46Å; E65-Q69 VanDerWaalsContact O-CG 3.3Å; E65-Q69 WeakPolarHBondContact O-CG 3.41Å; E65-Q69 PolarHBondContact O-N 3.3Å
66	K	91.9	Very high	90.6	Very high	132 Å²	132	97.2 Å²	97.2	57%	0.574	48%	0.476	S	S	*	.	H	α-helix	trans	-65	-38.9	175.3	-165.5	174.4	-175.6	179.4	0	112.1	R62 L63 Q64 M70	R62-K66 WeakPolarHBondContact O-CB 3.5Å; R62-K66 PolarHBondContact O-N 2.86Å; L63-K66 PolarHBondContact O-N 3.48Å; Q64-K66 VanDerWaalsContact C-N 3.34Å; Q64-K66 PolarHBondContact O-N 3.44Å; K66-M70 WeakPolarHBondContact O-CG 3.39Å; K66-M70 PolarHBondContact O-N 3.39Å
67	C	91	Very high	91	Very high	61 Å²	61	95 Å²	95	41%	0.412	47%	0.465	S	S	.	.	H	α-helix	trans	-64.4	-45.6	174.8	-69	0	0	0	0	111.3	L63 Q64 E65 Q69 M70 E71	L63-C67 WeakPolarHBondContact O-CB 3.19Å; L63-C67 PolarHBondContact O-N 3.18Å; L63-C67 PolarHBondContact O-SG 3.38Å; Q64-C67 PolarHBondContact O-N 3.02Å; E65-C67 VanDerWaalsContact C-N 3.35Å; E65-C67 PolarHBondContact O-N 3.42Å; C67-Q69 PolarHBondContact O-N 2.89Å; C67-M70 PolarHBondContact O-N 3.19Å; C67-E71 WeakPolarHBondContact O-CB 3.45Å; C67-E71 WeakPolarHBondContact O-CG 3.28Å; C67-E71 PolarHBondContact O-N 2.85Å
68	S	91	Very high	91.4	Very high	56 Å²	56	98.6 Å²	98.6	39%	0.392	48%	0.482	S	S	.	.	H	α-helix	trans	-64.5	-39.3	179.4	67.9	0	0	0	0	112.2	Q64 E65 E71 V72	Q64-S68 PolarHBondContact O-N 3.46Å; Q64-S68 PolarHBondContact O-OG 3.12Å; E65-S68 PolarHBondContact O-N 3.42Å; E65-S68 PolarHBondContact O-OG 3.46Å; S68-E71 PolarHBondContact O-N 2.86Å; S68-V72 WeakPolarHBondContact O-CG2 3.47Å; S68-V72 PolarHBondContact O-N 3.44Å
69	Q	92.2	Very high	91.7	Very high	116 Å²	116	104.1 Å²	104.1	54%	0.542	50%	0.499	S	S	.	.	H	α-helix	trans	-62.1	-44.4	173.2	-72.5	176.4	12.9	0	0	112.1	E65 C67 V72 K73	E65-Q69 WeakPolarHBondContact O-CB 3.46Å; E65-Q69 VanDerWaalsContact O-CG 3.3Å; E65-Q69 WeakPolarHBondContact O-CG 3.41Å; E65-Q69 PolarHBondContact O-N 3.3Å; C67-Q69 PolarHBondContact O-N 2.89Å; Q69-V72 PolarHBondContact O-N 3.41Å; Q69-K73 WeakPolarHBondContact O-CB 3.42Å; Q69-K73 PolarHBondContact O-N 2.93Å
70	M	92.8	Very high	92	Very high	119 Å²	119	103.3 Å²	103.3	59%	0.586	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-37.1	176.6	-72.5	-160.8	-54.4	0	0	112.3	K66 C67 K73 C74	K66-M70 WeakPolarHBondContact O-CG 3.39Å; K66-M70 PolarHBondContact O-N 3.39Å; C67-M70 PolarHBondContact O-N 3.19Å; M70-K73 PolarHBondContact O-N 3.41Å; M70-C74 VanDerWaalsContact O-CB 3.32Å; M70-C74 WeakPolarHBondContact O-CB 3.48Å; M70-C74 PolarHBondContact O-N 3.36Å
71	E	91.8	Very high	92.1	Very high	112 Å²	112	105 Å²	105	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-42.1	175.3	-76.3	179.8	-173	0	0	112.3	C67 S68 C74 R75	C67-E71 WeakPolarHBondContact O-CB 3.45Å; C67-E71 WeakPolarHBondContact O-CG 3.28Å; C67-E71 PolarHBondContact O-N 2.85Å; S68-E71 PolarHBondContact O-N 2.86Å; E71-C74 PolarHBondContact O-N 2.91Å; E71-R75 WeakPolarHBondContact O-CG 3.28Å; E71-R75 PolarHBondContact O-N 2.83Å
72	V	93.3	Very high	92.4	Very high	79 Å²	79	110.9 Å²	110.9	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-47.6	175.3	171	0	0	0	0	110.3	S68 Q69 C74 R75 E76	S68-V72 WeakPolarHBondContact O-CG2 3.47Å; S68-V72 PolarHBondContact O-N 3.44Å; Q69-V72 PolarHBondContact O-N 3.41Å; V72-C74 VanDerWaalsContact C-N 3.34Å; V72-C74 PolarHBondContact O-N 3.44Å; V72-R75 WeakPolarHBondContact O-CB 3.37Å; V72-R75 PolarHBondContact O-N 2.94Å; V72-R75 VanDerWaalsContact O-N 3.1Å; V72-E76 PolarHBondContact O-N 3.28Å
73	K	93.9	Very high	92.6	Very high	132 Å²	132	106.7 Å²	106.7	57%	0.574	52%	0.519	S	S	*	.	H	α-helix	trans	-60.2	-43.3	177.8	-169.2	178	-178.8	-179.2	0	112.1	Q69 M70 R75 E76 D77	Q69-K73 WeakPolarHBondContact O-CB 3.42Å; Q69-K73 PolarHBondContact O-N 2.93Å; M70-K73 PolarHBondContact O-N 3.41Å; K73-R75 VanDerWaalsContact C-N 3.28Å; K73-R75 PolarHBondContact O-N 3.21Å; K73-E76 PolarHBondContact O-N 3.37Å; K73-D77 WeakPolarHBondContact O-CB 3.25Å; K73-D77 PolarHBondContact O-N 3Å
74	C	93.2	Very high	92.8	Very high	80 Å²	80	103.8 Å²	103.8	54%	0.541	51%	0.509	S	S	.	.	H	α-helix	trans	-59.6	-38.8	175.5	-172.9	0	0	0	0	112.1	M70 E71 V72 E78	M70-C74 VanDerWaalsContact O-CB 3.32Å; M70-C74 WeakPolarHBondContact O-CB 3.48Å; M70-C74 PolarHBondContact O-N 3.36Å; E71-C74 PolarHBondContact O-N 2.91Å; V72-C74 VanDerWaalsContact C-N 3.34Å; V72-C74 PolarHBondContact O-N 3.44Å; C74-E78 VanDerWaalsContact O-CB 3.32Å; C74-E78 WeakPolarHBondContact O-CB 3.44Å; C74-E78 PolarHBondContact O-N 3.08Å
75	R	93	Very high	92.9	Very high	153 Å²	153	106.5 Å²	106.5	58%	0.577	52%	0.524	S	S	*	.	H	α-helix	trans	-71.5	-33.5	176.6	-72.1	178	-175.5	-177.2	6.4	113	E71 V72 K73 R79	E71-R75 WeakPolarHBondContact O-CG 3.28Å; E71-R75 PolarHBondContact O-N 2.83Å; V72-R75 WeakPolarHBondContact O-CB 3.37Å; V72-R75 PolarHBondContact O-N 2.94Å; V72-R75 VanDerWaalsContact O-N 3.1Å; K73-R75 VanDerWaalsContact C-N 3.28Å; K73-R75 PolarHBondContact O-N 3.21Å; R75-R79 WeakPolarHBondContact O-CG 3.45Å; R75-R79 PolarHBondContact O-N 2.99Å; R75-R79 VanDerWaalsContact O-N 3.13Å
76	E	94.3	Very high	93.1	Very high	112 Å²	112	106.9 Å²	106.9	52%	0.523	53%	0.526	S	S	.	.	H	α-helix	trans	-67.9	-46.6	174.2	-73.1	177.2	167.9	0	0	111	V72 K73 E78 R79 S80	V72-E76 PolarHBondContact O-N 3.28Å; K73-E76 PolarHBondContact O-N 3.37Å; E76-E78 PolarHBondContact O-N 3.43Å; E76-R79 PolarHBondContact O-N 3.34Å; E76-S80 PolarHBondContact O-N 2.87Å
77	D	93.7	Very high	93.3	Very high	76 Å²	76	107.9 Å²	107.9	41%	0.406	53%	0.526	S	S	.	.	H	α-helix	trans	-59.9	-45.8	174.9	-71.2	-20.1	0	0	0	110.5	K73 R79 S80 F81	K73-D77 WeakPolarHBondContact O-CB 3.25Å; K73-D77 PolarHBondContact O-N 3Å; D77-R79 VanDerWaalsContact C-N 3.35Å; D77-R79 PolarHBondContact O-N 3.5Å; D77-S80 WeakPolarHBondContact O-CB 3.39Å; D77-S80 PolarHBondContact O-N 3.4Å; D77-S80 VanDerWaalsContact O-N 3.16Å; D77-F81 HydrophobicContact CB-CD2 4.39Å; D77-F81 HydrophobicContact CB-CE2 4.32Å; D77-F81 WeakPolarHBondContact O-CD2 3.4Å; D77-F81 PolarHBondContact O-N 2.8Å
78	E	93.2	Very high	93.4	Very high	116 Å²	116	110.5 Å²	110.5	54%	0.542	54%	0.536	S	S	.	.	H	α-helix	trans	-57.6	-43.8	176.4	-171.2	-171.1	163	0	0	112.3	C74 E76 F81 R82	C74-E78 VanDerWaalsContact O-CB 3.32Å; C74-E78 WeakPolarHBondContact O-CB 3.44Å; C74-E78 PolarHBondContact O-N 3.08Å; E76-E78 PolarHBondContact O-N 3.43Å; E78-F81 PolarHBondContact O-N 3.19Å; E78-R82 WeakPolarHBondContact O-CB 3.45Å; E78-R82 PolarHBondContact O-N 3.41Å
79	R	93.7	Very high	93.6	Very high	180 Å²	180	114.9 Å²	114.9	68%	0.679	55%	0.548	S	S	*	.	H	α-helix	trans	-65	-42	175.7	-76.3	-174.4	-132.1	165.5	5	112	R75 E76 D77 R82 S83	R75-R79 WeakPolarHBondContact O-CG 3.45Å; R75-R79 PolarHBondContact O-N 2.99Å; R75-R79 VanDerWaalsContact O-N 3.13Å; E76-R79 PolarHBondContact O-N 3.34Å; D77-R79 VanDerWaalsContact C-N 3.35Å; D77-R79 PolarHBondContact O-N 3.5Å; R79-R82 PolarHBondContact O-N 3.38Å; R79-S83 PolarHBondContact O-N 3.3Å; R79-S83 PolarHBondContact O-OG 2.99Å
80	S	94.4	Very high	93.7	Very high	73 Å²	73	116 Å²	116	51%	0.51	55%	0.55	S	S	.	*	H	α-helix	trans	-60.6	-50.1	176.9	-174.1	0	0	0	0	110.6	E76 D77 R82 S83 A84	E76-S80 PolarHBondContact O-N 2.87Å; D77-S80 WeakPolarHBondContact O-CB 3.39Å; D77-S80 PolarHBondContact O-N 3.4Å; D77-S80 VanDerWaalsContact O-N 3.16Å; S80-R82 VanDerWaalsContact C-N 3.34Å; S80-R82 PolarHBondContact O-N 2.87Å; S80-S83 PolarHBondContact O-N 3.38Å; S80-S83 PolarHBondContact O-OG 2.96Å; S80-A84 WeakPolarHBondContact O-CB 3.49Å; S80-A84 PolarHBondContact O-N 3.41Å
81	F	91	Very high	93.8	Very high	140 Å²	140	114 Å²	114	61%	0.614	54%	0.542	S	S	*	.	H	α-helix	trans	-58	-44.1	175.5	-79.9	-63	0	0	0	112.4	D77 E78 A84 I85	D77-F81 HydrophobicContact CB-CD2 4.39Å; D77-F81 HydrophobicContact CB-CE2 4.32Å; D77-F81 WeakPolarHBondContact O-CD2 3.4Å; D77-F81 PolarHBondContact O-N 2.8Å; E78-F81 PolarHBondContact O-N 3.19Å; F81-A84 PolarHBondContact O-N 2.97Å; F81-I85 VanDerWaalsContact O-CG1 3.27Å; F81-I85 WeakPolarHBondContact O-CG1 3.38Å; F81-I85 PolarHBondContact O-N 3.47Å
82	R	94	Very high	93.9	Very high	163 Å²	163	114.2 Å²	114.2	62%	0.615	55%	0.547	S	S	*	.	H	α-helix	trans	-63.3	-44.2	179.5	-167.7	172.4	-177.6	152.8	0.9	112.6	E78 R79 S80 I85 E86	E78-R82 WeakPolarHBondContact O-CB 3.45Å; E78-R82 PolarHBondContact O-N 3.41Å; R79-R82 PolarHBondContact O-N 3.38Å; S80-R82 VanDerWaalsContact C-N 3.34Å; S80-R82 PolarHBondContact O-N 2.87Å; R82-I85 PolarHBondContact O-N 3.43Å; R82-E86 PolarHBondContact O-N 3.35Å
83	S	94.4	Very high	93.9	Very high	69 Å²	69	114.5 Å²	114.5	48%	0.483	55%	0.549	S	S	.	.	H	α-helix	trans	-66.8	-36.5	176.3	64.4	0	0	0	0	112.9	R79 S80 E86 R87	R79-S83 PolarHBondContact O-N 3.3Å; R79-S83 PolarHBondContact O-OG 2.99Å; S80-S83 PolarHBondContact O-N 3.38Å; S80-S83 PolarHBondContact O-OG 2.96Å; S83-E86 PolarHBondContact O-N 2.85Å; S83-R87 PolarHBondContact O-N 3.46Å
84	A	94.4	Very high	93.9	Very high	38 Å²	38	111.7 Å²	111.7	31%	0.314	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-42.2	173.1	0	0	0	0	0	111.7	S80 F81 R87 L88	S80-A84 WeakPolarHBondContact O-CB 3.49Å; S80-A84 PolarHBondContact O-N 3.41Å; F81-A84 PolarHBondContact O-N 2.97Å; A84-R87 PolarHBondContact O-N 3.24Å; A84-L88 WeakPolarHBondContact O-CB 3.3Å; A84-L88 PolarHBondContact O-N 2.9Å
85	I	93.2	Very high	94	Very high	114 Å²	114	111.8 Å²	111.8	59%	0.585	53%	0.534	S	S	*	.	H	α-helix	trans	-63.4	-43.7	176.3	-71.5	167.5	0	0	0	111.2	F81 R82 R87 L88 K89	F81-I85 VanDerWaalsContact O-CG1 3.27Å; F81-I85 WeakPolarHBondContact O-CG1 3.38Å; F81-I85 PolarHBondContact O-N 3.47Å; R82-I85 PolarHBondContact O-N 3.43Å; I85-R87 PolarHBondContact O-N 2.96Å; I85-L88 PolarHBondContact O-N 2.87Å; I85-K89 VanDerWaalsContact O-CB 3.31Å; I85-K89 WeakPolarHBondContact O-CB 3.3Å; I85-K89 PolarHBondContact O-N 3.47Å
86	E	93.9	Very high	94	Very high	124 Å²	124	107.7 Å²	107.7	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-63.4	-41	177.8	-76.7	176.8	-175	0	0	112.1	R82 S83 K89 K90	R82-E86 PolarHBondContact O-N 3.35Å; S83-E86 PolarHBondContact O-N 2.85Å; E86-K89 PolarHBondContact O-N 2.99Å; E86-K90 PolarHBondContact O-N 3.26Å; E86-K90 VanDerWaalsContact O-N 3.11Å
87	R	96.1	Very high	93.9	Very high	152 Å²	152	108 Å²	108	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-62.6	-49.5	173.1	-177.4	174.3	62.9	89.8	-3.2	111.5	S83 A84 I85 K89 K90 D91	S83-R87 PolarHBondContact O-N 3.46Å; A84-R87 PolarHBondContact O-N 3.24Å; I85-R87 PolarHBondContact O-N 2.96Å; R87-K89 VanDerWaalsContact C-N 3.26Å; R87-K89 PolarHBondContact O-N 3.06Å; R87-K90 WeakPolarHBondContact O-CB 3.3Å; R87-K90 PolarHBondContact O-N 3.44Å; R87-K90 VanDerWaalsContact O-N 3.09Å; R87-D91 IonicContact NH1-OD2 3.29Å; R87-D91 PolarHBondContact O-N 3.03Å
88	L	94.6	Very high	93.9	Very high	116 Å²	116	110.5 Å²	110.5	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-60.8	-37.9	-179.8	-141.3	92.9	0	0	0	111.7	A84 I85 D91 L92	A84-L88 WeakPolarHBondContact O-CB 3.3Å; A84-L88 PolarHBondContact O-N 2.9Å; I85-L88 PolarHBondContact O-N 2.87Å; L88-D91 PolarHBondContact O-N 3.25Å; L88-L92 VanDerWaalsContact O-CB 3.27Å; L88-L92 WeakPolarHBondContact O-CB 3.24Å; L88-L92 PolarHBondContact O-N 3.44Å
89	K	93.9	Very high	93.9	Very high	148 Å²	148	110.8 Å²	110.8	64%	0.643	54%	0.54	S	S	*	.	H	α-helix	trans	-64.5	-39.4	176	-175.4	179.8	177.9	-177.9	0	111.9	I85 E86 R87 T93	I85-K89 VanDerWaalsContact O-CB 3.31Å; I85-K89 WeakPolarHBondContact O-CB 3.3Å; I85-K89 PolarHBondContact O-N 3.47Å; E86-K89 PolarHBondContact O-N 2.99Å; R87-K89 VanDerWaalsContact C-N 3.26Å; R87-K89 PolarHBondContact O-N 3.06Å; K89-T93 PolarHBondContact O-N 3.01Å; K89-T93 VanDerWaalsContact O-N 3.13Å; K89-T93 PolarHBondContact O-OG1 2.92Å
90	K	95.5	Very high	93.7	Very high	139 Å²	139	105.7 Å²	105.7	60%	0.604	53%	0.531	S	S	*	.	H	α-helix	trans	-66.2	-49.8	174.9	-175.9	173.3	178.7	166.4	0	111.1	E86 R87 L92 T93 D94	E86-K90 PolarHBondContact O-N 3.26Å; E86-K90 VanDerWaalsContact O-N 3.11Å; R87-K90 WeakPolarHBondContact O-CB 3.3Å; R87-K90 PolarHBondContact O-N 3.44Å; R87-K90 VanDerWaalsContact O-N 3.09Å; K90-L92 VanDerWaalsContact C-N 3.27Å; K90-L92 PolarHBondContact O-N 2.82Å; K90-T93 WeakPolarHBondContact O-CB 3.26Å; K90-T93 PolarHBondContact O-N 3.5Å; K90-D94 PolarHBondContact O-N 3.48Å
91	D	95.3	Very high	93.6	Very high	77 Å²	77	108.8 Å²	108.8	41%	0.412	54%	0.535	S	S	.	.	H	α-helix	trans	-58.1	-40.8	178.3	-64.3	-14.3	0	0	0	111.2	R87 L88 T93 D94 L95	R87-D91 IonicContact NH1-OD2 3.29Å; R87-D91 PolarHBondContact O-N 3.03Å; L88-D91 PolarHBondContact O-N 3.25Å; D91-T93 VanDerWaalsContact C-N 3.33Å; D91-T93 PolarHBondContact O-N 3.5Å; D91-D94 PolarHBondContact O-N 3.46Å; D91-L95 WeakPolarHBondContact O-CB 3.31Å; D91-L95 PolarHBondContact O-N 3.44Å
92	L	93.1	Very high	93.6	Very high	118 Å²	118	106.9 Å²	106.9	62%	0.618	53%	0.531	S	S	*	.	H	α-helix	trans	-63.5	-37.4	175.3	-174.2	69.2	0	0	0	112.5	L88 K90 S96	L88-L92 VanDerWaalsContact O-CB 3.27Å; L88-L92 WeakPolarHBondContact O-CB 3.24Å; L88-L92 PolarHBondContact O-N 3.44Å; K90-L92 VanDerWaalsContact C-N 3.27Å; K90-L92 PolarHBondContact O-N 2.82Å; L92-S96 VanDerWaalsContact O-CB 3.27Å; L92-S96 WeakPolarHBondContact O-CB 3.48Å; L92-S96 PolarHBondContact O-N 3.13Å
93	T	93.3	Very high	93.4	Very high	85 Å²	85	103.1 Å²	103.1	52%	0.521	52%	0.523	S	S	.	.	H	α-helix	trans	-69.7	-44.2	179.2	-52.9	0	0	0	0	110.7	K89 K90 D91 S96 Q97	K89-T93 PolarHBondContact O-N 3.01Å; K89-T93 VanDerWaalsContact O-N 3.13Å; K89-T93 PolarHBondContact O-OG1 2.92Å; K90-T93 WeakPolarHBondContact O-CB 3.26Å; K90-T93 PolarHBondContact O-N 3.5Å; D91-T93 VanDerWaalsContact C-N 3.33Å; D91-T93 PolarHBondContact O-N 3.5Å; T93-S96 PolarHBondContact O-N 3.25Å; T93-Q97 PolarHBondContact O-N 2.96Å
94	D	94.8	Very high	93.2	Very high	73 Å²	73	104 Å²	104	39%	0.39	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-43	176.8	-69.5	-13.5	0	0	0	110.9	K90 D91 Q97 Q98	K90-D94 PolarHBondContact O-N 3.48Å; D91-D94 PolarHBondContact O-N 3.46Å; D94-Q97 PolarHBondContact O-N 3.31Å; D94-Q98 WeakPolarHBondContact O-CG 3.17Å; D94-Q98 PolarHBondContact O-N 2.79Å
95	L	93.9	Very high	93	Very high	81 Å²	81	107.3 Å²	107.3	42%	0.424	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-43.6	175.8	-175	65.5	0	0	0	111.6	D91 Q97 Q98 F99	D91-L95 WeakPolarHBondContact O-CB 3.31Å; D91-L95 PolarHBondContact O-N 3.44Å; L95-Q97 VanDerWaalsContact C-N 3.27Å; L95-Q97 PolarHBondContact O-N 3.5Å; L95-Q98 PolarHBondContact O-N 2.86Å; L95-F99 HydrophobicContact CD1-CD2 3.99Å; L95-F99 HydrophobicContact CD1-CE2 3.6Å; L95-F99 HydrophobicContact CD1-CZ 4.46Å; L95-F99 HydrophobicContact CD2-CD2 4.48Å; L95-F99 HydrophobicContact CD2-CE2 3.93Å; L95-F99 HydrophobicContact CG-CD2 3.72Å; L95-F99 HydrophobicContact CG-CE2 3.54Å; L95-F99 VanDerWaalsContact O-CD2 3.28Å; L95-F99 WeakPolarHBondContact O-CD2 3.34Å; L95-F99 PolarHBondContact O-N 2.98Å
96	S	92.7	Very high	92.9	Very high	67 Å²	67	105.6 Å²	105.6	47%	0.469	53%	0.529	S	S	.	.	H	α-helix	trans	-59.6	-38.9	175.1	-179.2	0	0	0	0	111.7	L92 T93 F99 C100	L92-S96 VanDerWaalsContact O-CB 3.27Å; L92-S96 WeakPolarHBondContact O-CB 3.48Å; L92-S96 PolarHBondContact O-N 3.13Å; T93-S96 PolarHBondContact O-N 3.25Å; S96-F99 PolarHBondContact O-N 2.88Å; S96-C100 PolarHBondContact O-N 2.77Å; S96-C100 PolarHBondContact O-SG 2.96Å; S96-C100 VanDerWaalsContact O-SG 3.35Å
97	Q	93.1	Very high	92.5	Very high	120 Å²	120	105.2 Å²	105.2	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-70.2	-36.3	178.1	-161.9	178.2	22.4	0	0	112.2	T93 D94 L95 C100 K101	T93-Q97 PolarHBondContact O-N 2.96Å; D94-Q97 PolarHBondContact O-N 3.31Å; L95-Q97 VanDerWaalsContact C-N 3.27Å; L95-Q97 PolarHBondContact O-N 3.5Å; Q97-C100 PolarHBondContact O-N 3.38Å; Q97-K101 PolarHBondContact O-N 3.37Å; Q97-K101 VanDerWaalsContact O-N 3.16Å
98	Q	93.5	Very high	92	Very high	128 Å²	128	102.5 Å²	102.5	60%	0.598	52%	0.522	S	S	*	.	H	α-helix	trans	-65.8	-42.8	172.6	-70.3	179.6	19.5	0	0	111.7	D94 L95 K101 L102	D94-Q98 WeakPolarHBondContact O-CG 3.17Å; D94-Q98 PolarHBondContact O-N 2.79Å; L95-Q98 PolarHBondContact O-N 2.86Å; Q98-K101 PolarHBondContact O-N 3.24Å; Q98-L102 WeakPolarHBondContact O-CB 3.43Å; Q98-L102 PolarHBondContact O-N 2.96Å
99	F	92.2	Very high	91.9	Very high	121 Å²	121	100.8 Å²	100.8	53%	0.531	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-42.2	174.3	-85.3	-63.7	0	0	0	112	L95 S96 K101 L102 D103	L95-F99 HydrophobicContact CD1-CD2 3.99Å; L95-F99 HydrophobicContact CD1-CE2 3.6Å; L95-F99 HydrophobicContact CD1-CZ 4.46Å; L95-F99 HydrophobicContact CD2-CD2 4.48Å; L95-F99 HydrophobicContact CD2-CE2 3.93Å; L95-F99 HydrophobicContact CG-CD2 3.72Å; L95-F99 HydrophobicContact CG-CE2 3.54Å; L95-F99 VanDerWaalsContact O-CD2 3.28Å; L95-F99 WeakPolarHBondContact O-CD2 3.34Å; L95-F99 PolarHBondContact O-N 2.98Å; S96-F99 PolarHBondContact O-N 2.88Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 2.98Å; F99-L102 PolarHBondContact O-N 3.3Å; F99-D103 WeakPolarHBondContact O-CB 3.38Å; F99-D103 PolarHBondContact O-N 3.49Å
100	C	90	Very high	91.5	Very high	73 Å²	73	96.5 Å²	96.5	49%	0.493	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-38.4	175.3	-72.5	0	0	0	0	112.7	S96 Q97 T104	S96-C100 PolarHBondContact O-N 2.77Å; S96-C100 PolarHBondContact O-SG 2.96Å; S96-C100 VanDerWaalsContact O-SG 3.35Å; Q97-C100 PolarHBondContact O-N 3.38Å; C100-T104 PolarHBondContact O-N 3.34Å; C100-T104 PolarHBondContact O-OG1 2.87Å
101	K	92	Very high	91	Very high	139 Å²	139	91.9 Å²	91.9	60%	0.604	50%	0.497	S	S	*	.	H	α-helix	trans	-66.3	-47.4	175.4	-74.2	177.2	179.2	178.1	0	111.6	Q97 Q98 F99 D103 T104 E105	Q97-K101 PolarHBondContact O-N 3.37Å; Q97-K101 VanDerWaalsContact O-N 3.16Å; Q98-K101 PolarHBondContact O-N 3.24Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 2.98Å; K101-D103 VanDerWaalsContact C-N 3.31Å; K101-D103 PolarHBondContact O-N 3.36Å; K101-T104 PolarHBondContact O-N 2.88Å; K101-E105 PolarHBondContact O-N 3.23Å; K101-E105 VanDerWaalsContact O-N 3.08Å
102	L	91.2	Very high	90.7	Very high	100 Å²	100	95.7 Å²	95.7	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-61.4	-42.6	177.1	-178.7	63.7	0	0	0	111	Q98 F99 T104 E105 V106	Q98-L102 WeakPolarHBondContact O-CB 3.43Å; Q98-L102 PolarHBondContact O-N 2.96Å; F99-L102 PolarHBondContact O-N 3.3Å; L102-T104 VanDerWaalsContact C-N 3.31Å; L102-T104 PolarHBondContact O-N 2.72Å; L102-E105 PolarHBondContact O-N 3.27Å; L102-V106 HydrophobicContact CD1-CG2 4.25Å; L102-V106 HydrophobicContact CG-CG2 4.24Å; L102-V106 WeakPolarHBondContact O-CB 3.43Å; L102-V106 VanDerWaalsContact O-CG2 3.26Å; L102-V106 WeakPolarHBondContact O-CG2 3.05Å; L102-V106 PolarHBondContact O-N 3.48Å
103	D	90.4	Very high	90.4	Very high	84 Å²	84	95.1 Å²	95.1	45%	0.449	51%	0.507	S	S	.	.	H	α-helix	trans	-60.7	-41.3	177.4	-172.2	60.1	0	0	0	111.1	F99 K101 E105 V106 H107	F99-D103 WeakPolarHBondContact O-CB 3.38Å; F99-D103 PolarHBondContact O-N 3.49Å; K101-D103 VanDerWaalsContact C-N 3.31Å; K101-D103 PolarHBondContact O-N 3.36Å; D103-E105 PolarHBondContact O-N 3.1Å; D103-V106 PolarHBondContact O-N 3.03Å; D103-H107 VanDerWaalsContact CG-CE1 3.44Å; D103-H107 WeakPolarHBondContact O-CB 3.5Å; D103-H107 PolarHBondContact O-N 3.44Å; D103-H107 PolarHBondContact O-ND1 3.12Å; D103-H107 IonicContact OD1-CE1 3.4Å; D103-H107 PolarHBondContact OD1-CE1 3.31Å; D103-H107 IonicContact OD1-ND1 3.36Å; D103-H107 PolarHBondContact OD1-ND1 2.76Å; D103-H107 IonicContact OD2-CE1 2.69Å; D103-H107 PolarHBondContact OD2-CE1 3.25Å; D103-H107 IonicContact OD2-ND1 2.82Å; D103-H107 PolarHBondContact OD2-ND1 3.16Å
104	T	90.4	Very high	90	Very high	86 Å²	86	94.9 Å²	94.9	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.4	-49.2	0	0	0	0	111.6	C100 K101 L102 H107 M108	C100-T104 PolarHBondContact O-N 3.34Å; C100-T104 PolarHBondContact O-OG1 2.87Å; K101-T104 PolarHBondContact O-N 2.88Å; L102-T104 VanDerWaalsContact C-N 3.31Å; L102-T104 PolarHBondContact O-N 2.72Å; T104-H107 PolarHBondContact O-N 2.63Å; T104-M108 WeakPolarHBondContact O-CG 3.27Å; T104-M108 PolarHBondContact O-N 2.9Å
105	E	90	Very high	89.5	Confident	108 Å²	108	97 Å²	97	51%	0.505	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-43.4	175.9	-73.1	-67.7	157.1	0	0	112	K101 L102 D103 H107 M108 V109	K101-E105 PolarHBondContact O-N 3.23Å; K101-E105 VanDerWaalsContact O-N 3.08Å; L102-E105 PolarHBondContact O-N 3.27Å; D103-E105 PolarHBondContact O-N 3.1Å; E105-H107 VanDerWaalsContact C-N 3.33Å; E105-H107 PolarHBondContact O-N 2.87Å; E105-M108 PolarHBondContact O-N 3.16Å; E105-M108 WeakPolarHBondContact OE2-CE 3.22Å; E105-V109 WeakPolarHBondContact O-CG2 3.47Å; E105-V109 PolarHBondContact O-N 3.49Å
106	V	89.8	Confident	89	Confident	78 Å²	78	97.9 Å²	97.9	47%	0.473	52%	0.517	S	S	.	.	H	α-helix	trans	-62.1	-41.5	175.3	169.3	0	0	0	0	110.5	L102 D103 V109 S110	L102-V106 HydrophobicContact CD1-CG2 4.25Å; L102-V106 HydrophobicContact CG-CG2 4.24Å; L102-V106 WeakPolarHBondContact O-CB 3.43Å; L102-V106 VanDerWaalsContact O-CG2 3.26Å; L102-V106 WeakPolarHBondContact O-CG2 3.05Å; L102-V106 PolarHBondContact O-N 3.48Å; D103-V106 PolarHBondContact O-N 3.03Å; V106-V109 PolarHBondContact O-N 3.47Å; V106-S110 WeakPolarHBondContact O-CA 3.5Å; V106-S110 WeakPolarHBondContact O-CB 3.32Å; V106-S110 PolarHBondContact O-N 3.24Å
107	H	85.7	Confident	88.6	Confident	116 Å²	116	96.2 Å²	96.2	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-38.9	174.8	-81.4	86.7	0	0	0	112	D103 T104 E105 G111	D103-H107 VanDerWaalsContact CG-CE1 3.44Å; D103-H107 WeakPolarHBondContact O-CB 3.5Å; D103-H107 PolarHBondContact O-N 3.44Å; D103-H107 PolarHBondContact O-ND1 3.12Å; D103-H107 IonicContact OD1-CE1 3.4Å; D103-H107 PolarHBondContact OD1-CE1 3.31Å; D103-H107 IonicContact OD1-ND1 3.36Å; D103-H107 PolarHBondContact OD1-ND1 2.76Å; D103-H107 IonicContact OD2-CE1 2.69Å; D103-H107 PolarHBondContact OD2-CE1 3.25Å; D103-H107 IonicContact OD2-ND1 2.82Å; D103-H107 PolarHBondContact OD2-ND1 3.16Å; T104-H107 PolarHBondContact O-N 2.63Å; E105-H107 VanDerWaalsContact C-N 3.33Å; E105-H107 PolarHBondContact O-N 2.87Å; H107-G111 PolarHBondContact O-N 3Å
108	M	86.1	Confident	88.1	Confident	95 Å²	95	93.6 Å²	93.6	47%	0.468	50%	0.5	S	S	.	.	H	α-helix	trans	-65.7	-43.5	174.3	-71.7	-152.6	-51.6	0	0	112.5	T104 E105 G111 K112	T104-M108 WeakPolarHBondContact O-CG 3.27Å; T104-M108 PolarHBondContact O-N 2.9Å; E105-M108 PolarHBondContact O-N 3.16Å; E105-M108 WeakPolarHBondContact OE2-CE 3.22Å; M108-G111 PolarHBondContact O-N 3.37Å; M108-K112 WeakPolarHBondContact O-CG 3.33Å; M108-K112 PolarHBondContact O-N 3.29Å; M108-K112 VanDerWaalsContact O-N 3.11Å
109	V	91.8	Very high	87.6	Confident	81 Å²	81	92.5 Å²	92.5	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-67.2	-44.3	178.3	170.7	0	0	0	0	110.6	E105 V106 K112 L113	E105-V109 WeakPolarHBondContact O-CG2 3.47Å; E105-V109 PolarHBondContact O-N 3.49Å; V106-V109 PolarHBondContact O-N 3.47Å; V109-K112 PolarHBondContact O-N 2.97Å; V109-L113 HydrophobicContact CG1-CD1 3.71Å; V109-L113 WeakPolarHBondContact O-CB 3.36Å; V109-L113 PolarHBondContact O-N 3.41Å
110	S	87	Confident	87.1	Confident	57 Å²	57	91.2 Å²	91.2	40%	0.399	49%	0.493	S	S	.	.	H	α-helix	trans	-59.5	-46.5	174.1	-176	0	0	0	0	111.1	V106 K112 L113 V114	V106-S110 WeakPolarHBondContact O-CA 3.5Å; V106-S110 WeakPolarHBondContact O-CB 3.32Å; V106-S110 PolarHBondContact O-N 3.24Å; S110-K112 VanDerWaalsContact C-N 3.32Å; S110-K112 PolarHBondContact O-N 3.33Å; S110-L113 CarbonylContact O-C 3.52Å; S110-L113 PolarHBondContact O-N 2.87Å; S110-L113 VanDerWaalsContact O-N 3.12Å; S110-V114 WeakPolarHBondContact O-CB 3.46Å; S110-V114 VanDerWaalsContact O-CG2 3.28Å; S110-V114 WeakPolarHBondContact O-CG2 3.26Å; S110-V114 PolarHBondContact O-N 2.95Å
111	G	85.4	Confident	86.6	Confident	43 Å²	43	93 Å²	93	44%	0.443	49%	0.494	S	S	.	.	H	α-helix	trans	-58.3	-41.9	176.2	0	0	0	0	0	113	H107 M108 H115	H107-G111 PolarHBondContact O-N 3Å; M108-G111 PolarHBondContact O-N 3.37Å; G111-H115 WeakPolarHBondContact O-CB 3.43Å; G111-H115 PolarHBondContact O-N 3.11Å; G111-H115 VanDerWaalsContact O-N 3.12Å
112	K	87.4	Confident	86	Confident	156 Å²	156	95 Å²	95	68%	0.678	50%	0.498	S	S	*	.	H	α-helix	trans	-67.6	-40.7	174.3	-71.1	175.9	-176	174.9	0	112.3	M108 V109 S110 H115 L116	M108-K112 WeakPolarHBondContact O-CG 3.33Å; M108-K112 PolarHBondContact O-N 3.29Å; M108-K112 VanDerWaalsContact O-N 3.11Å; V109-K112 PolarHBondContact O-N 2.97Å; S110-K112 VanDerWaalsContact C-N 3.32Å; S110-K112 PolarHBondContact O-N 3.33Å; K112-H115 PolarHBondContact O-N 3.31Å; K112-L116 PolarHBondContact O-N 3.4Å
113	L	88.4	Confident	85.4	Confident	107 Å²	107	98.1 Å²	98.1	56%	0.56	51%	0.507	S	S	*	.	H	α-helix	trans	-66.7	-42.7	178.2	-90	158.5	0	0	0	112.5	V109 S110 H115 L116 G117	V109-L113 HydrophobicContact CG1-CD1 3.71Å; V109-L113 WeakPolarHBondContact O-CB 3.36Å; V109-L113 PolarHBondContact O-N 3.41Å; S110-L113 CarbonylContact O-C 3.52Å; S110-L113 PolarHBondContact O-N 2.87Å; S110-L113 VanDerWaalsContact O-N 3.12Å; L113-H115 VanDerWaalsContact C-N 3.33Å; L113-L116 PolarHBondContact O-N 3.17Å; L113-G117 WeakPolarHBondContact O-CA 3.23Å; L113-G117 PolarHBondContact O-N 2.82Å
114	V	84.6	Confident	84.9	Confident	79 Å²	79	97.8 Å²	97.8	48%	0.479	51%	0.505	S	S	.	.	H	α-helix	trans	-60.5	-46.2	173.9	170.4	0	0	0	0	109.4	S110 L116 G117 D118	S110-V114 WeakPolarHBondContact O-CB 3.46Å; S110-V114 VanDerWaalsContact O-CG2 3.28Å; S110-V114 WeakPolarHBondContact O-CG2 3.26Å; S110-V114 PolarHBondContact O-N 2.95Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.29Å; V114-G117 PolarHBondContact O-N 2.95Å; V114-D118 WeakPolarHBondContact O-CB 3.07Å; V114-D118 PolarHBondContact O-N 3.15Å
115	H	84.1	Confident	84.2	Confident	118 Å²	118	96.7 Å²	96.7	55%	0.546	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-36	179.3	-159.1	-48.1	0	0	0	113	G111 K112 L113 Q119	G111-H115 WeakPolarHBondContact O-CB 3.43Å; G111-H115 PolarHBondContact O-N 3.11Å; G111-H115 VanDerWaalsContact O-N 3.12Å; K112-H115 PolarHBondContact O-N 3.31Å; L113-H115 VanDerWaalsContact C-N 3.33Å; H115-Q119 PolarHBondContact CE1-NE2 2.69Å; H115-Q119 PolarHBondContact ND1-NE2 2.83Å; H115-Q119 WeakPolarHBondContact O-CG 3.27Å; H115-Q119 PolarHBondContact O-N 3.35Å
116	L	82.9	Confident	83.6	Confident	99 Å²	99	94.9 Å²	94.9	52%	0.518	49%	0.494	S	S	.	.	H	α-helix	trans	-72.6	-41.2	174.2	-173.1	68.8	0	0	0	111.6	K112 L113 V114 Q119 L120	K112-L116 PolarHBondContact O-N 3.4Å; L113-L116 PolarHBondContact O-N 3.17Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.29Å; L116-Q119 PolarHBondContact O-N 3.35Å; L116-L120 HydrophobicContact CG-CD1 4.17Å; L116-L120 WeakPolarHBondContact O-CG 3.47Å; L116-L120 PolarHBondContact O-N 2.88Å
117	G	83.8	Confident	83	Confident	32 Å²	32	100.1 Å²	100.1	33%	0.33	51%	0.505	S	S	.	.	H	α-helix	trans	-58.1	-50.1	175.7	0	0	0	0	0	111.4	L113 V114 Q119 L120 E121	L113-G117 WeakPolarHBondContact O-CA 3.23Å; L113-G117 PolarHBondContact O-N 2.82Å; V114-G117 PolarHBondContact O-N 2.95Å; G117-Q119 VanDerWaalsContact C-N 3.29Å; G117-Q119 PolarHBondContact O-N 3.45Å; G117-L120 PolarHBondContact O-N 2.84Å; G117-L120 VanDerWaalsContact O-N 3.17Å; G117-E121 VanDerWaalsContact O-CB 3.31Å; G117-E121 WeakPolarHBondContact O-CB 3.31Å; G117-E121 PolarHBondContact O-N 3.03Å
118	D	82.5	Confident	82.6	Confident	65 Å²	65	100.8 Å²	100.8	35%	0.348	51%	0.506	S	S	.	.	H	α-helix	trans	-56.1	-40.7	175.1	-87.8	19.3	0	0	0	112.7	V114 R122	V114-D118 WeakPolarHBondContact O-CB 3.07Å; V114-D118 PolarHBondContact O-N 3.15Å; D118-R122 VanDerWaalsContact O-CB 3.29Å; D118-R122 WeakPolarHBondContact O-CB 3.41Å; D118-R122 WeakPolarHBondContact O-CG 3.44Å; D118-R122 PolarHBondContact O-N 2.78Å; D118-R122 IonicContact OD2-NH2 3.86Å; D118-R122 PolarHBondContact OD2-NH2 2.89Å
119	Q	84.5	Confident	82	Confident	105 Å²	105	103.8 Å²	103.8	49%	0.491	51%	0.512	S	S	.	.	H	α-helix	trans	-70.6	-40.7	178.7	-75.1	-175.9	12.3	0	0	112	H115 L116 G117 K123	H115-Q119 PolarHBondContact CE1-NE2 2.69Å; H115-Q119 PolarHBondContact ND1-NE2 2.83Å; H115-Q119 WeakPolarHBondContact O-CG 3.27Å; H115-Q119 PolarHBondContact O-N 3.35Å; L116-Q119 PolarHBondContact O-N 3.35Å; G117-Q119 VanDerWaalsContact C-N 3.29Å; G117-Q119 PolarHBondContact O-N 3.45Å; Q119-K123 PolarHBondContact O-N 2.67Å
120	L	81.3	Confident	81.3	Confident	94 Å²	94	105.7 Å²	105.7	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-66.5	-43.6	175.5	-75.6	167.2	0	0	0	110.9	L116 G117 K123 N124	L116-L120 HydrophobicContact CG-CD1 4.17Å; L116-L120 WeakPolarHBondContact O-CG 3.47Å; L116-L120 PolarHBondContact O-N 2.88Å; G117-L120 PolarHBondContact O-N 2.84Å; G117-L120 VanDerWaalsContact O-N 3.17Å; L120-K123 PolarHBondContact O-N 3.21Å; L120-N124 VanDerWaalsContact O-CB 3.23Å; L120-N124 WeakPolarHBondContact O-CB 3.45Å; L120-N124 PolarHBondContact O-N 2.91Å; L120-N124 PolarHBondContact O-ND2 3.37Å
121	E	78.2	Confident	80.7	Confident	111 Å²	111	107.9 Å²	107.9	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-46.9	178.5	-170.6	173.3	-173.5	0	0	111	G117 K123 N124 L125	G117-E121 VanDerWaalsContact O-CB 3.31Å; G117-E121 WeakPolarHBondContact O-CB 3.31Å; G117-E121 PolarHBondContact O-N 3.03Å; E121-K123 PolarHBondContact O-N 3.42Å; E121-K123 VanDerWaalsContact O-N 3.16Å; E121-N124 PolarHBondContact O-N 3.21Å; E121-N124 VanDerWaalsContact O-N 3.16Å; E121-L125 HydrophobicContact CG-CB 4.26Å; E121-L125 WeakPolarHBondContact O-CA 3.3Å; E121-L125 WeakPolarHBondContact O-CB 3.38Å; E121-L125 PolarHBondContact O-N 3.26Å
122	R	79.5	Confident	80.1	Confident	182 Å²	182	110.9 Å²	110.9	69%	0.687	53%	0.525	S	S	*	.	H	α-helix	trans	-56.6	-34.8	175	-77.6	-178.9	-132.5	-159.6	1	113	D118 P126	D118-R122 VanDerWaalsContact O-CB 3.29Å; D118-R122 WeakPolarHBondContact O-CB 3.41Å; D118-R122 WeakPolarHBondContact O-CG 3.44Å; D118-R122 PolarHBondContact O-N 2.78Å; D118-R122 IonicContact OD2-NH2 3.86Å; D118-R122 PolarHBondContact OD2-NH2 2.89Å; R122-P126 VanDerWaalsContact O-CD 3.3Å; R122-P126 WeakPolarHBondContact O-CD 3.31Å
123	K	80.3	Confident	79.3	Confident	165 Å²	165	105.6 Å²	105.6	72%	0.717	51%	0.51	S	S	*	.	H	α-helix	trans	-80.4	-36.7	177	-75.1	-173.3	178	-179.5	0	113.4	Q119 L120 E121	Q119-K123 PolarHBondContact O-N 2.67Å; L120-K123 PolarHBondContact O-N 3.21Å; E121-K123 PolarHBondContact O-N 3.42Å; E121-K123 VanDerWaalsContact O-N 3.16Å
124	N	79.2	Confident	78.8	Confident	76 Å²	76	106.6 Å²	106.6	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-89.8	-32.2	-174	-75.2	-31.2	0	0	0	113.5	L120 E121 R127 K128	L120-N124 VanDerWaalsContact O-CB 3.23Å; L120-N124 WeakPolarHBondContact O-CB 3.45Å; L120-N124 PolarHBondContact O-N 2.91Å; L120-N124 PolarHBondContact O-ND2 3.37Å; E121-N124 PolarHBondContact O-N 3.21Å; E121-N124 VanDerWaalsContact O-N 3.16Å; N124-R127 PolarHBondContact O-N 3.04Å; N124-R127 VanDerWaalsContact O-N 3.13Å; N124-K128 PolarHBondContact O-N 3.27Å
125	L	76	Confident	78.2	Confident	64 Å²	64	105 Å²	105	34%	0.335	50%	0.495	S	S	.	.	H	α-helix	trans	-59	-44.6	-174.8	-172.8	72.3	0	0	0	112.7	E121 R127 K128 R129	E121-L125 HydrophobicContact CG-CB 4.26Å; E121-L125 WeakPolarHBondContact O-CA 3.3Å; E121-L125 WeakPolarHBondContact O-CB 3.38Å; E121-L125 PolarHBondContact O-N 3.26Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.4Å; L125-K128 PolarHBondContact O-N 2.87Å; L125-R129 WeakPolarHBondContact O-CB 3.49Å; L125-R129 VanDerWaalsContact O-CG 3.3Å; L125-R129 WeakPolarHBondContact O-CG 3.42Å; L125-R129 PolarHBondContact O-N 3.32Å
126	P	78	Confident	77.6	Confident	69 Å²	69	100.3 Å²	100.3	45%	0.448	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-38.6	176.1	-20.7	33.4	0	0	0	112.4	R122 R129 I130	R122-P126 VanDerWaalsContact O-CD 3.3Å; R122-P126 WeakPolarHBondContact O-CD 3.31Å; P126-R129 PolarHBondContact O-N 2.81Å; P126-I130 WeakPolarHBondContact O-CB 3.27Å; P126-I130 WeakPolarHBondContact O-CD1 3.31Å; P126-I130 VanDerWaalsContact O-CG1 3.23Å; P126-I130 WeakPolarHBondContact O-CG1 3.42Å; P126-I130 PolarHBondContact O-N 3.15Å
127	R	77.1	Confident	76.9	Confident	189 Å²	189	101.2 Å²	101.2	71%	0.713	48%	0.478	S	S	*	.	H	α-helix	trans	-65.7	-48.4	178.3	-75.8	-177	174.8	178.9	-2.2	111.3	N124 L125 R129 I130 E131	N124-R127 PolarHBondContact O-N 3.04Å; N124-R127 VanDerWaalsContact O-N 3.13Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.4Å; R127-R129 PolarHBondContact O-N 3.43Å; R127-I130 PolarHBondContact O-N 3.06Å; R127-E131 WeakPolarHBondContact O-CB 3.21Å; R127-E131 PolarHBondContact O-N 3.11Å
128	K	75.5	Confident	76.3	Confident	129 Å²	129	104.2 Å²	104.2	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-59.1	-46.2	175.3	-81.1	-169	171.4	-170.7	0	111.8	N124 L125 I130 E131 E132	N124-K128 PolarHBondContact O-N 3.27Å; L125-K128 PolarHBondContact O-N 2.87Å; K128-I130 VanDerWaalsContact C-N 3.33Å; K128-I130 PolarHBondContact O-N 2.93Å; K128-E131 PolarHBondContact O-N 3.3Å; K128-E132 WeakPolarHBondContact O-CB 3.41Å; K128-E132 VanDerWaalsContact O-CG 3.3Å; K128-E132 WeakPolarHBondContact O-CG 3.29Å; K128-E132 PolarHBondContact O-N 2.99Å
129	R	75	Confident	75.5	Confident	159 Å²	159	103.2 Å²	103.2	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-59.7	-40.6	177	-76.5	-176.5	-177.8	-168	1.5	112.9	L125 P126 R127 A133	L125-R129 WeakPolarHBondContact O-CB 3.49Å; L125-R129 VanDerWaalsContact O-CG 3.3Å; L125-R129 WeakPolarHBondContact O-CG 3.42Å; L125-R129 PolarHBondContact O-N 3.32Å; P126-R129 PolarHBondContact O-N 2.81Å; R127-R129 PolarHBondContact O-N 3.43Å; R129-A133 WeakPolarHBondContact O-CB 3.45Å; R129-A133 PolarHBondContact O-N 3.19Å
130	I	76	Confident	74.6	Confident	121 Å²	121	99.7 Å²	99.7	62%	0.621	46%	0.463	S	S	*	.	H	α-helix	trans	-68.7	-41.6	177.5	-69.3	165.7	0	0	0	110.8	P126 R127 K128 A133 R134	P126-I130 WeakPolarHBondContact O-CB 3.27Å; P126-I130 WeakPolarHBondContact O-CD1 3.31Å; P126-I130 VanDerWaalsContact O-CG1 3.23Å; P126-I130 WeakPolarHBondContact O-CG1 3.42Å; P126-I130 PolarHBondContact O-N 3.15Å; R127-I130 PolarHBondContact O-N 3.06Å; K128-I130 VanDerWaalsContact C-N 3.33Å; K128-I130 PolarHBondContact O-N 2.93Å; I130-A133 PolarHBondContact O-N 3.13Å; I130-R134 VanDerWaalsContact O-CB 3.32Å; I130-R134 WeakPolarHBondContact O-CB 3.27Å; I130-R134 PolarHBondContact O-N 2.76Å
131	E	76	Confident	74	Confident	102 Å²	102	102.7 Å²	102.7	48%	0.477	47%	0.469	S	S	.	.	H	α-helix	trans	-64.4	-46.5	177.5	-173.3	165.9	-151.6	0	0	111.7	R127 K128 R134 D135	R127-E131 WeakPolarHBondContact O-CB 3.21Å; R127-E131 PolarHBondContact O-N 3.11Å; K128-E131 PolarHBondContact O-N 3.3Å; E131-R134 PolarHBondContact O-N 3.17Å; E131-D135 WeakPolarHBondContact O-CB 3.14Å; E131-D135 VanDerWaalsContact O-CG 3.31Å; E131-D135 PolarHBondContact O-N 2.98Å
132	E	72.2	Confident	73.5	Confident	106 Å²	106	102.9 Å²	102.9	50%	0.495	47%	0.468	S	S	.	.	H	α-helix	trans	-59.3	-46.5	173	-73.1	168	-167.7	0	0	111.7	K128 R134 D135 L136	K128-E132 WeakPolarHBondContact O-CB 3.41Å; K128-E132 VanDerWaalsContact O-CG 3.3Å; K128-E132 WeakPolarHBondContact O-CG 3.29Å; K128-E132 PolarHBondContact O-N 2.99Å; E132-R134 PolarHBondContact O-N 3.3Å; E132-D135 PolarHBondContact O-N 3.26Å; E132-L136 WeakPolarHBondContact O-CB 3.23Å; E132-L136 WeakPolarHBondContact O-CD1 3.48Å; E132-L136 WeakPolarHBondContact O-CG 3.24Å; E132-L136 PolarHBondContact O-N 3.39Å
133	A	71.2	Confident	72.6	Confident	45 Å²	45	94.5 Å²	94.5	37%	0.372	44%	0.436	S	S	.	.	H	α-helix	trans	-63.2	-42	177.7	0	0	0	0	0	112.1	R129 I130 L136 I137	R129-A133 WeakPolarHBondContact O-CB 3.45Å; R129-A133 PolarHBondContact O-N 3.19Å; I130-A133 PolarHBondContact O-N 3.13Å; A133-L136 PolarHBondContact O-N 2.81Å; A133-I137 WeakPolarHBondContact O-CB 3.35Å; A133-I137 WeakPolarHBondContact O-CD1 3.44Å; A133-I137 WeakPolarHBondContact O-CG1 3.4Å; A133-I137 PolarHBondContact O-N 3.32Å
134	R	76.1	Confident	71.3	Confident	129 Å²	129	92.5 Å²	92.5	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-59.6	-48.8	175.5	-176.3	-161.3	72.1	-158.2	-3.3	110.5	I130 E131 E132 L136 I137 L138	I130-R134 VanDerWaalsContact O-CB 3.32Å; I130-R134 WeakPolarHBondContact O-CB 3.27Å; I130-R134 PolarHBondContact O-N 2.76Å; E131-R134 PolarHBondContact O-N 3.17Å; E132-R134 PolarHBondContact O-N 3.3Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-L136 PolarHBondContact O-N 3.48Å; R134-I137 PolarHBondContact O-N 2.96Å; R134-L138 HydrophobicContact CG-CD1 4.12Å; R134-L138 WeakPolarHBondContact O-CG 3.5Å; R134-L138 PolarHBondContact O-N 3.32Å
135	D	71.9	Confident	70.2	Confident	45 Å²	45	90.4 Å²	90.4	24%	0.241	42%	0.42	C	S	.	.	H	α-helix	trans	-65.3	-38.6	-177.7	-71.6	-0.9	0	0	0	111.3	E131 E132 L138 E139 R170	E131-D135 WeakPolarHBondContact O-CB 3.14Å; E131-D135 VanDerWaalsContact O-CG 3.31Å; E131-D135 PolarHBondContact O-N 2.98Å; E132-D135 PolarHBondContact O-N 3.26Å; D135-L138 PolarHBondContact O-N 3.47Å; D135-E139 WeakPolarHBondContact O-CB 3.46Å; D135-E139 PolarHBondContact O-N 2.91Å; D135-R170 IonicContact OD2-NH1 2.57Å
136	L	71.6	Confident	68.8	Low	20 Å²	20	97.7 Å²	97.7	11%	0.105	45%	0.45	C	S	.	.	H	α-helix	trans	-63.6	-43.1	174	-72	165.4	0	0	0	112.7	E132 A133 R134 E139 F140 R170 N173 L174 L177	E132-L136 WeakPolarHBondContact O-CB 3.23Å; E132-L136 WeakPolarHBondContact O-CD1 3.48Å; E132-L136 WeakPolarHBondContact O-CG 3.24Å; E132-L136 PolarHBondContact O-N 3.39Å; A133-L136 PolarHBondContact O-N 2.81Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-L136 PolarHBondContact O-N 3.48Å; L136-E139 PolarHBondContact O-N 3.48Å; L136-F140 PolarHBondContact O-N 3.12Å; L136-R170 HydrophobicContact CD2-CB 4.44Å; L136-R170 WeakPolarHBondContact CD2-O 3.34Å; L136-N173 HydrophobicContact CD1-CB 4.11Å; L136-N173 HydrophobicContact CD2-CB 3.91Å; L136-L174 HydrophobicContact CD2-CB 3.89Å; L136-L177 HydrophobicContact CB-CD1 4.42Å; L136-L177 HydrophobicContact CD1-CD1 3.8Å
137	I	69.7	Low	67.3	Low	117 Å²	117	97.4 Å²	97.4	60%	0.6	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-43.7	177.6	-69.4	164.3	0	0	0	110.8	A133 R134 E139 F140 Y141	A133-I137 WeakPolarHBondContact O-CB 3.35Å; A133-I137 WeakPolarHBondContact O-CD1 3.44Å; A133-I137 WeakPolarHBondContact O-CG1 3.4Å; A133-I137 PolarHBondContact O-N 3.32Å; R134-I137 PolarHBondContact O-N 2.96Å; I137-E139 VanDerWaalsContact C-N 3.3Å; I137-E139 PolarHBondContact O-N 3.46Å; I137-F140 PolarHBondContact O-N 2.91Å; I137-Y141 PolarHBondContact O-N 3.26Å
138	L	70.9	Confident	65.8	Low	96 Å²	96	90.4 Å²	90.4	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-62.8	-39	176.8	-71.4	172.5	0	0	0	111.4	R134 D135 Y141 K142	R134-L138 HydrophobicContact CG-CD1 4.12Å; R134-L138 WeakPolarHBondContact O-CG 3.5Å; R134-L138 PolarHBondContact O-N 3.32Å; D135-L138 PolarHBondContact O-N 3.47Å; L138-Y141 PolarHBondContact O-N 3.42Å; L138-K142 WeakPolarHBondContact O-CG 3.29Å; L138-K142 PolarHBondContact O-N 3.45Å
139	E	65.5	Low	64.6	Low	43 Å²	43	85.3 Å²	85.3	20%	0.201	43%	0.43	C	S	.	.	H	α-helix	trans	-66.7	-41.9	176	-147.9	65.3	-141.8	0	0	111.8	D135 L136 I137 Y141 K142 F143 F171 L174	D135-E139 WeakPolarHBondContact O-CB 3.46Å; D135-E139 PolarHBondContact O-N 2.91Å; L136-E139 PolarHBondContact O-N 3.48Å; I137-E139 VanDerWaalsContact C-N 3.3Å; I137-E139 PolarHBondContact O-N 3.46Å; E139-Y141 VanDerWaalsContact C-N 3.3Å; E139-Y141 PolarHBondContact O-N 3.32Å; E139-K142 VanDerWaalsContact CD-NZ 3.27Å; E139-K142 WeakPolarHBondContact O-CB 3.43Å; E139-K142 PolarHBondContact O-N 3.04Å; E139-K142 WeakPolarHBondContact OE1-CD 3.44Å; E139-K142 IonicContact OE1-NZ 3.24Å; E139-K142 PolarHBondContact OE1-NZ 2.81Å; E139-K142 IonicContact OE2-NZ 3.07Å; E139-K142 PolarHBondContact OE2-NZ 3.35Å; E139-F143 VanDerWaalsContact O-CD2 3.31Å; E139-F143 WeakPolarHBondContact O-CD2 3.4Å; E139-F171 HydrophobicContact CG-CZ 4.39Å; E139-L174 HydrophobicContact CB-CD2 4.4Å
140	F	65.8	Low	63.5	Low	32 Å²	32	80.8 Å²	80.8	14%	0.14	42%	0.422	C	S	.	.	H	α-helix	trans	-58.5	-42.4	173.2	-170.5	-107.4	0	0	0	112.1	L136 I137 K142 F143 W144 L174 C178 L181 F187 A190 V194	L136-F140 PolarHBondContact O-N 3.12Å; I137-F140 PolarHBondContact O-N 2.91Å; F140-K142 VanDerWaalsContact C-N 3.26Å; F140-K142 PolarHBondContact O-N 3.43Å; F140-F143 WeakPolarHBondContact O-CB 3.27Å; F140-F143 PolarHBondContact O-N 2.9Å; F140-W144 PolarHBondContact O-N 2.95Å; F140-L174 HydrophobicContact CB-CD1 3.76Å; F140-L174 HydrophobicContact CB-CD2 4.42Å; F140-L174 HydrophobicContact CD2-CD1 3.95Å; F140-L174 HydrophobicContact CG-CD1 4.26Å; F140-C178 VanDerWaalsContact CE2-SG 3.59Å; F140-L181 HydrophobicContact CE2-CD1 4.29Å; F140-L181 HydrophobicContact CZ-CD1 4.02Å; F140-F187 HydrophobicContact CE1-CD1 4.39Å; F140-F187 HydrophobicContact CZ-CD1 4.31Å; F140-A190 HydrophobicContact CE2-CB 3.88Å; F140-A190 HydrophobicContact CZ-CB 3.75Å; F140-V194 HydrophobicContact CD2-CG2 4.43Å
141	Y	67.3	Low	62.2	Low	156 Å²	156	76.2 Å²	76.2	61%	0.612	40%	0.4	S	S	*	.	H	α-helix	trans	-64.6	-32	-178.8	-151.7	-91.8	0	0	0	112.2	I137 L138 E139 F143 W144 G145	I137-Y141 PolarHBondContact O-N 3.26Å; L138-Y141 PolarHBondContact O-N 3.42Å; E139-Y141 VanDerWaalsContact C-N 3.3Å; E139-Y141 PolarHBondContact O-N 3.32Å; Y141-F143 VanDerWaalsContact C-N 3.26Å; Y141-F143 PolarHBondContact O-N 2.92Å; Y141-W144 HydrophobicContact CD2-CE3 4.24Å; Y141-W144 AromaticContact CE2-CE3 3.77Å; Y141-W144 HydrophobicContact CE2-CE3 3.77Å; Y141-W144 HydrophobicContact CE2-CZ3 4.13Å; Y141-W144 WeakPolarHBondContact O-CB 3.3Å; Y141-W144 PolarHBondContact O-N 3.44Å; Y141-W144 VanDerWaalsContact O-N 3.15Å; Y141-G145 PolarHBondContact O-N 2.93Å
142	K	67.9	Low	61	Low	116 Å²	116	75.5 Å²	75.5	50%	0.504	40%	0.403	S	S	.	.	H	α-helix	trans	-61.1	-33.8	171.4	-66.1	170.9	-173.9	166.9	0	112.1	L138 E139 F140 G145	L138-K142 WeakPolarHBondContact O-CG 3.29Å; L138-K142 PolarHBondContact O-N 3.45Å; E139-K142 VanDerWaalsContact CD-NZ 3.27Å; E139-K142 WeakPolarHBondContact O-CB 3.43Å; E139-K142 PolarHBondContact O-N 3.04Å; E139-K142 WeakPolarHBondContact OE1-CD 3.44Å; E139-K142 IonicContact OE1-NZ 3.24Å; E139-K142 PolarHBondContact OE1-NZ 2.81Å; E139-K142 IonicContact OE2-NZ 3.07Å; E139-K142 PolarHBondContact OE2-NZ 3.35Å; F140-K142 VanDerWaalsContact C-N 3.26Å; F140-K142 PolarHBondContact O-N 3.43Å; K142-G145 PolarHBondContact O-N 3.17Å
143	F	61.7	Low	60	Low	6 Å²	6	76.4 Å²	76.4	3%	0.026	41%	0.411	C	S	.	.	H	α-helix	trans	-74.9	-26	175.1	-77.3	-80	0	0	0	114	E139 F140 Y141 G145 V151 F171 R193 V194 A197	E139-F143 VanDerWaalsContact O-CD2 3.31Å; E139-F143 WeakPolarHBondContact O-CD2 3.4Å; F140-F143 WeakPolarHBondContact O-CB 3.27Å; F140-F143 PolarHBondContact O-N 2.9Å; Y141-F143 VanDerWaalsContact C-N 3.26Å; Y141-F143 PolarHBondContact O-N 2.92Å; F143-G145 VanDerWaalsContact C-N 3.29Å; F143-V151 HydrophobicContact CE1-CG2 4.4Å; F143-V151 HydrophobicContact CZ-CG2 4.27Å; F143-F171 HydrophobicContact CD2-CE1 4.46Å; F143-F171 HydrophobicContact CE2-CD1 4.44Å; F143-F171 AromaticContact CE2-CE1 3.28Å; F143-F171 HydrophobicContact CE2-CE1 3.28Å; F143-F171 AromaticContact CE2-CZ 3.68Å; F143-F171 HydrophobicContact CE2-CZ 3.68Å; F143-F171 AromaticContact CZ-CE1 3.34Å; F143-F171 HydrophobicContact CZ-CE1 3.34Å; F143-F171 AromaticContact CZ-CZ 3.71Å; F143-F171 HydrophobicContact CZ-CZ 3.71Å; F143-R193 HydrophobicContact CD1-CB 3.72Å; F143-R193 HydrophobicContact CE1-CB 4.35Å; F143-R193 PolarHBondContact O-NH1 2.85Å; F143-V194 HydrophobicContact CB-CG2 4.22Å; F143-V194 HydrophobicContact CD1-CG2 4.31Å; F143-V194 HydrophobicContact CD2-CG2 3.91Å; F143-V194 HydrophobicContact CE2-CG2 4.49Å; F143-V194 HydrophobicContact CG-CG2 3.84Å; F143-A197 HydrophobicContact CE1-CB 4.12Å; F143-A197 HydrophobicContact CZ-CB 4.06Å
144	W	53	Low	59.1	Low	123 Å²	123	76.5 Å²	76.5	47%	0.466	41%	0.407	S	S	.	.	H	α-helix	trans	-72.3	-22.5	174.8	-128.8	32.8	0	0	0	112.6	F140 Y141 R186 F187	F140-W144 PolarHBondContact O-N 2.95Å; Y141-W144 HydrophobicContact CD2-CE3 4.24Å; Y141-W144 AromaticContact CE2-CE3 3.77Å; Y141-W144 HydrophobicContact CE2-CE3 3.77Å; Y141-W144 HydrophobicContact CE2-CZ3 4.13Å; Y141-W144 WeakPolarHBondContact O-CB 3.3Å; Y141-W144 PolarHBondContact O-N 3.44Å; Y141-W144 VanDerWaalsContact O-N 3.15Å; W144-R186 PolarHBondContact NE1-O 2.96Å; W144-F187 HydrophobicContact CZ2-CD1 4.5Å; W144-F187 HydrophobicContact CZ2-CE1 4.1Å
145	G	55.5	Low	57.8	Low	31 Å²	31	72.5 Å²	72.5	32%	0.32	40%	0.397	S	S	.	.	S	Bend	trans	-66.3	153.5	175.6	0	0	0	0	0	114.8	Y141 K142 F143 G147 R193	Y141-G145 PolarHBondContact O-N 2.93Å; K142-G145 PolarHBondContact O-N 3.17Å; F143-G145 VanDerWaalsContact C-N 3.29Å; G145-G147 VanDerWaalsContact C-N 3.26Å; G145-G147 PolarHBondContact O-N 3.17Å; G145-R193 PolarHBondContact O-NH1 3.31Å
146	F	47	Very low	56.9	Low	218 Å²	218	73.3 Å²	73.3	96%	0.956	41%	0.406	S	S	*	.	S	Bend	trans	-64.7	-26.2	176	-84.8	-88.1	0	0	0	113.6	G148	F146-G148 PolarHBondContact O-N 3.25Å
147	G	46.5	Very low	55.8	Low	62 Å²	62	79 Å²	79	64%	0.639	44%	0.442	S	S	*	.	S	Bend	trans	-80.4	97.5	170.6	0	0	0	0	0	108.4	G145 G149	G145-G147 VanDerWaalsContact C-N 3.26Å; G145-G147 PolarHBondContact O-N 3.17Å; G147-G149 PolarHBondContact O-N 2.79Å
148	G	45.1	Very low	54.8	Low	43 Å²	43	82.3 Å²	82.3	44%	0.443	46%	0.455	S	S	.	.			trans	-41.9	118.3	-178.7	0	0	0	0	0	110.5	F146 S150	F146-G148 PolarHBondContact O-N 3.25Å; G148-S150 WeakPolarHBondContact O-CA 3.41Å; G148-S150 PolarHBondContact O-N 3.44Å
149	G	51	Low	54	Low	21 Å²	21	78.8 Å²	78.8	22%	0.216	44%	0.438	C	S	.	.			trans	-47.8	102.2	-179.6	0	0	0	0	0	108.9	G147 V151	G147-G149 PolarHBondContact O-N 2.79Å; G149-V151 VanDerWaalsContact C-N 3.27Å; G149-V151 PolarHBondContact O-N 3.43Å
150	S	50.8	Low	53.9	Low	64 Å²	64	81.8 Å²	81.8	45%	0.448	46%	0.456	S	S	.	.			trans	-79.7	84.4	-162.3	-143.6	0	0	0	0	108	G148 T152 N153	G148-S150 WeakPolarHBondContact O-CA 3.41Å; G148-S150 PolarHBondContact O-N 3.44Å; S150-T152 PolarHBondContact O-N 3.43Å; S150-T152 PolarHBondContact OG-OG1 3.5Å; S150-N153 PolarHBondContact O-N 3.27Å
151	V	50.1	Low	53.9	Low	26 Å²	26	83.1 Å²	83.1	16%	0.158	46%	0.462	C	S	.	.	H	α-helix	trans	-49.7	-28.2	168.2	178.6	0	0	0	0	110.2	F143 G149 N153 V154 V155 A197 H200	F143-V151 HydrophobicContact CE1-CG2 4.4Å; F143-V151 HydrophobicContact CZ-CG2 4.27Å; G149-V151 VanDerWaalsContact C-N 3.27Å; G149-V151 PolarHBondContact O-N 3.43Å; V151-N153 PolarHBondContact O-N 3.45Å; V151-V154 PolarHBondContact O-N 2.9Å; V151-V155 HydrophobicContact CG1-CB 4.49Å; V151-V155 HydrophobicContact CG1-CG2 3.56Å; V151-V155 WeakPolarHBondContact O-CB 3.46Å; V151-V155 WeakPolarHBondContact O-CG2 3.37Å; V151-V155 PolarHBondContact O-N 3.49Å; V151-A197 HydrophobicContact CG2-CB 3.25Å; V151-H200 HydrophobicContact CG1-CB 4.15Å
152	T	49.5	Very low	53.9	Low	87 Å²	87	78.7 Å²	78.7	53%	0.534	46%	0.458	S	S	.	.	H	α-helix	trans	-53	-32.7	173.6	61.6	0	0	0	0	113.8	S150 S156	S150-T152 PolarHBondContact O-N 3.43Å; S150-T152 PolarHBondContact OG-OG1 3.5Å; T152-S156 WeakPolarHBondContact O-CB 3.26Å; T152-S156 PolarHBondContact O-N 2.93Å; T152-S156 PolarHBondContact O-OG 2.8Å
153	N	51.7	Low	53.9	Low	125 Å²	125	78.5 Å²	78.5	67%	0.668	46%	0.459	S	S	*	.	H	α-helix	trans	-74.2	-30.2	178.9	-72.5	0.5	0	0	0	112.5	S150 V151	S150-N153 PolarHBondContact O-N 3.27Å; V151-N153 PolarHBondContact O-N 3.45Å
154	V	52.3	Low	54.3	Low	46 Å²	46	78.3 Å²	78.3	28%	0.279	46%	0.458	S	S	.	.	H	α-helix	trans	-84.3	-36.8	178.3	-179.8	0	0	0	0	111.1	V151 S159 A167	V151-V154 PolarHBondContact O-N 2.9Å; V154-S159 WeakPolarHBondContact O-CB 3.38Å; V154-S159 PolarHBondContact O-OG 2.74Å; V154-A167 HydrophobicContact CG1-CB 3.64Å
155	V	48.6	Very low	55.1	Low	46 Å²	46	73.7 Å²	73.7	28%	0.279	44%	0.442	S	S	.	.	H	α-helix	trans	-85.3	-9.6	-179.3	178.1	0	0	0	0	112.8	V151 T157 L201 A204	V151-V155 HydrophobicContact CG1-CB 4.49Å; V151-V155 HydrophobicContact CG1-CG2 3.56Å; V151-V155 WeakPolarHBondContact O-CB 3.46Å; V151-V155 WeakPolarHBondContact O-CG2 3.37Å; V151-V155 PolarHBondContact O-N 3.49Å; V155-T157 PolarHBondContact O-N 3.23Å; V155-L201 HydrophobicContact CG2-CD1 4.21Å; V155-A204 HydrophobicContact CG1-CB 3.83Å; V155-A204 HydrophobicContact CG2-CB 4.42Å
156	S	52.6	Low	56	Low	61 Å²	61	77.3 Å²	77.3	43%	0.427	45%	0.451	S	S	.	.	S	Bend	trans	-50.1	132.9	173.3	-76	0	0	0	0	110.7	T152 Q158 S159	T152-S156 WeakPolarHBondContact O-CB 3.26Å; T152-S156 PolarHBondContact O-N 2.93Å; T152-S156 PolarHBondContact O-OG 2.8Å; S156-Q158 PolarHBondContact O-N 3.23Å; S156-S159 PolarHBondContact O-N 3.41Å; S156-S159 VanDerWaalsContact O-N 3.14Å; S156-S159 PolarHBondContact O-OG 3.12Å
157	T	49.4	Very low	57.1	Low	141 Å²	141	67.6 Å²	67.6	87%	0.865	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-2.7	-168.8	45.6	0	0	0	0	116.8	V155	V155-T157 PolarHBondContact O-N 3.23Å
158	Q	48.2	Very low	58.4	Low	185 Å²	185	64.7 Å²	64.7	86%	0.864	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	4.4	-177.8	-66.1	-171.6	-17.2	0	0	114.5	S156	S156-Q158 PolarHBondContact O-N 3.23Å
159	S	55.6	Low	59.8	Low	23 Å²	23	65.6 Å²	65.6	16%	0.161	38%	0.378	C	S	.	.			trans	-75.2	131.2	-178.3	55.2	0	0	0	0	113.3	V154 S156 R208	V154-S159 WeakPolarHBondContact O-CB 3.38Å; V154-S159 PolarHBondContact O-OG 2.74Å; S156-S159 PolarHBondContact O-N 3.41Å; S156-S159 VanDerWaalsContact O-N 3.14Å; S156-S159 PolarHBondContact O-OG 3.12Å; S159-R208 PolarHBondContact O-NH1 2.98Å; S159-R208 PolarHBondContact O-NH2 2.75Å; S159-R208 PolarHBondContact OG-NH2 3.42Å
160	D	62	Low	60.8	Low	105 Å²	105	69.6 Å²	69.6	56%	0.561	39%	0.387	S	S	*	.			trans	-47.8	135.9	173.3	-73.9	-32.2	0	0	0	111.2	A162 Q163 L164	D160-A162 VanDerWaalsContact C-N 3.28Å; D160-A162 PolarHBondContact O-N 3.36Å; D160-Q163 HydrophobicContact CB-CB 4.39Å; D160-Q163 HydrophobicContact CB-CG 3.96Å; D160-Q163 PolarHBondContact O-N 3Å; D160-Q163 PolarHBondContact OD2-NE2 3.48Å; D160-L164 PolarHBondContact O-N 2.63Å
161	E	65.4	Low	61.7	Low	61 Å²	61	67.1 Å²	67.1	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-36.4	-173.3	-157.9	165.2	-159.4	0	0	113.5	L165 N212 T220	E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 3.39Å; E161-N212 PolarHBondContact OE1-ND2 2.82Å; E161-N212 PolarHBondContact OE1-OD1 3.32Å; E161-T220 VanDerWaalsContact CD-CG2 3.46Å; E161-T220 HydrophobicContact CG-CG2 4.43Å; E161-T220 VanDerWaalsContact OE1-CB 3.3Å; E161-T220 WeakPolarHBondContact OE1-CB 3.38Å; E161-T220 VanDerWaalsContact OE2-CG2 3.27Å; E161-T220 WeakPolarHBondContact OE2-CG2 3.48Å
162	A	67.7	Low	62.8	Low	62 Å²	62	67.8 Å²	67.8	51%	0.512	37%	0.368	S	S	.	.	H	α-helix	trans	-66.1	-39.8	174.7	0	0	0	0	0	112.9	D160 L164 L165 E166	D160-A162 VanDerWaalsContact C-N 3.28Å; D160-A162 PolarHBondContact O-N 3.36Å; A162-L164 VanDerWaalsContact C-N 3.32Å; A162-L164 PolarHBondContact O-N 2.86Å; A162-L165 PolarHBondContact O-N 3.45Å; A162-E166 PolarHBondContact O-N 3.31Å
163	Q	69.5	Low	64.2	Low	113 Å²	113	67.4 Å²	67.4	53%	0.528	36%	0.363	S	S	.	.	H	α-helix	trans	-66.8	-37.1	-179	-65.4	-180	22.6	0	0	111.3	D160 A167	D160-Q163 HydrophobicContact CB-CB 4.39Å; D160-Q163 HydrophobicContact CB-CG 3.96Å; D160-Q163 PolarHBondContact O-N 3Å; D160-Q163 PolarHBondContact OD2-NE2 3.48Å; Q163-A167 VanDerWaalsContact O-CB 3.25Å; Q163-A167 WeakPolarHBondContact O-CB 3.4Å; Q163-A167 PolarHBondContact O-N 3.43Å
164	L	68.8	Low	65.3	Low	2 Å²	2	61.8 Å²	61.8	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-69.8	-39.8	177.9	-169.3	142.2	0	0	0	111.8	D160 A162 A167 A168 L201 L205	D160-L164 PolarHBondContact O-N 2.63Å; A162-L164 VanDerWaalsContact C-N 3.32Å; A162-L164 PolarHBondContact O-N 2.86Å; L164-A167 PolarHBondContact O-N 3.35Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.01Å; L164-L201 HydrophobicContact CD1-CD1 4.3Å; L164-L201 HydrophobicContact CD2-CD1 4.06Å; L164-L201 HydrophobicContact CG-CD1 3.95Å; L164-L205 HydrophobicContact CD2-CD2 3.29Å; L164-L205 HydrophobicContact CD2-CG 3.84Å
165	L	70.9	Confident	66.3	Low	26 Å²	26	61 Å²	61	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-64.3	-43.4	174.4	-73.1	168.1	0	0	0	112.2	E161 A162 A168 T169 L205 I224 V227	E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 3.39Å; A162-L165 PolarHBondContact O-N 3.45Å; L165-A168 PolarHBondContact O-N 3.27Å; L165-T169 PolarHBondContact O-N 3.36Å; L165-T169 PolarHBondContact O-OG1 3.21Å; L165-L205 HydrophobicContact CD2-CD2 4.15Å; L165-I224 HydrophobicContact CD2-CB 4.5Å; L165-I224 HydrophobicContact CD2-CG1 3.87Å; L165-V227 HydrophobicContact CD2-CB 4.46Å; L165-V227 HydrophobicContact CD2-CG2 3.88Å
166	E	72.8	Confident	67.6	Low	106 Å²	106	62 Å²	62	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-62.9	-47.3	174.4	-79.1	-168.8	-156.5	0	0	111.6	A162 A168 T169 R170	A162-E166 PolarHBondContact O-N 3.31Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 3.32Å; E166-T169 PolarHBondContact O-N 2.88Å; E166-R170 VanDerWaalsContact O-CG 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.45Å; E166-R170 PolarHBondContact O-N 2.94Å; E166-R170 IonicContact OE2-CZ 2.73Å; E166-R170 IonicContact OE2-NH2 2.84Å; E166-R170 PolarHBondContact OE2-NH2 3.41Å
167	A	70.4	Confident	68.6	Low	15 Å²	15	62.8 Å²	62.8	12%	0.124	34%	0.338	C	S	.	.	H	α-helix	trans	-57.9	-45.5	176.2	0	0	0	0	0	110.5	V154 Q163 L164 T169 R170 F171	V154-A167 HydrophobicContact CG1-CB 3.64Å; Q163-A167 VanDerWaalsContact O-CB 3.25Å; Q163-A167 WeakPolarHBondContact O-CB 3.4Å; Q163-A167 PolarHBondContact O-N 3.43Å; L164-A167 PolarHBondContact O-N 3.35Å; A167-T169 PolarHBondContact O-N 3.2Å; A167-R170 PolarHBondContact O-N 3.29Å; A167-F171 HydrophobicContact CB-CD2 4.36Å; A167-F171 WeakPolarHBondContact O-CB 3.24Å; A167-F171 WeakPolarHBondContact O-CD2 3.35Å; A167-F171 PolarHBondContact O-N 3.27Å
168	A	74.3	Confident	69.6	Low	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-42.2	178.3	0	0	0	0	0	113.9	L164 L165 E166 F171 K172 L201 L205 V227	L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.01Å; L165-A168 PolarHBondContact O-N 3.27Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 3.32Å; A168-F171 PolarHBondContact O-N 3.14Å; A168-K172 WeakPolarHBondContact O-CB 3.49Å; A168-K172 WeakPolarHBondContact O-CG 3.2Å; A168-K172 PolarHBondContact O-N 3.31Å; A168-L201 HydrophobicContact CB-CD1 4.45Å; A168-L201 HydrophobicContact CB-CD2 3.58Å; A168-L201 HydrophobicContact CB-CG 3.89Å; A168-L205 HydrophobicContact CB-CD1 3.77Å; A168-V227 HydrophobicContact CB-CG1 3.7Å
169	T	74.7	Confident	70.8	Confident	63 Å²	63	54.6 Å²	54.6	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-45.3	174.7	-52.2	0	0	0	0	110.8	L165 E166 A167 K172 N173	L165-T169 PolarHBondContact O-N 3.36Å; L165-T169 PolarHBondContact O-OG1 3.21Å; E166-T169 PolarHBondContact O-N 2.88Å; A167-T169 PolarHBondContact O-N 3.2Å; T169-K172 PolarHBondContact O-N 2.66Å; T169-N173 WeakPolarHBondContact O-CB 3.17Å; T169-N173 VanDerWaalsContact O-CG 3.25Å; T169-N173 PolarHBondContact O-N 3.22Å; T169-N173 PolarHBondContact O-ND2 2.79Å
170	R	71.3	Confident	71.7	Confident	105 Å²	105	60.9 Å²	60.9	40%	0.396	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-46.6	176.6	-66.5	173.9	-159.7	-150.9	7.9	111.8	D135 L136 E166 A167 K172 N173 L174	D135-R170 IonicContact OD2-NH1 2.57Å; L136-R170 HydrophobicContact CD2-CB 4.44Å; L136-R170 WeakPolarHBondContact CD2-O 3.34Å; E166-R170 VanDerWaalsContact O-CG 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.45Å; E166-R170 PolarHBondContact O-N 2.94Å; E166-R170 IonicContact OE2-CZ 2.73Å; E166-R170 IonicContact OE2-NH2 2.84Å; E166-R170 PolarHBondContact OE2-NH2 3.41Å; A167-R170 PolarHBondContact O-N 3.29Å; R170-K172 VanDerWaalsContact C-N 3.34Å; R170-K172 PolarHBondContact O-N 3.24Å; R170-N173 PolarHBondContact O-N 3.45Å; R170-L174 WeakPolarHBondContact O-CB 3.02Å; R170-L174 PolarHBondContact O-N 2.88Å
171	F	71	Confident	72.2	Confident	12 Å²	12	58.8 Å²	58.8	5%	0.053	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-38	178.7	-90.3	-73.9	0	0	0	112.7	E139 F143 A167 A168 L174 S175 A197 C198 L201	E139-F171 HydrophobicContact CG-CZ 4.39Å; F143-F171 HydrophobicContact CD2-CE1 4.46Å; F143-F171 HydrophobicContact CE2-CD1 4.44Å; F143-F171 AromaticContact CE2-CE1 3.28Å; F143-F171 HydrophobicContact CE2-CE1 3.28Å; F143-F171 AromaticContact CE2-CZ 3.68Å; F143-F171 HydrophobicContact CE2-CZ 3.68Å; F143-F171 AromaticContact CZ-CE1 3.34Å; F143-F171 HydrophobicContact CZ-CE1 3.34Å; F143-F171 AromaticContact CZ-CZ 3.71Å; F143-F171 HydrophobicContact CZ-CZ 3.71Å; A167-F171 HydrophobicContact CB-CD2 4.36Å; A167-F171 WeakPolarHBondContact O-CB 3.24Å; A167-F171 WeakPolarHBondContact O-CD2 3.35Å; A167-F171 PolarHBondContact O-N 3.27Å; A168-F171 PolarHBondContact O-N 3.14Å; F171-L174 PolarHBondContact O-N 3.11Å; F171-S175 WeakPolarHBondContact O-CB 3.39Å; F171-S175 PolarHBondContact O-N 3.22Å; F171-A197 HydrophobicContact CD1-CB 4.29Å; F171-A197 HydrophobicContact CE1-CB 4.05Å; F171-C198 PolarHBondContact O-SG 2.89Å; F171-L201 HydrophobicContact CB-CD2 4.01Å; F171-L201 HydrophobicContact CD2-CD2 3.95Å; F171-L201 HydrophobicContact CG-CD2 4.19Å
172	K	73.5	Confident	72.5	Confident	39 Å²	39	60 Å²	60	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-69.8	-43.5	175.4	-76.4	-171.5	178.9	-172.8	0	112.7	A168 T169 R170 L174 S175 S176 D202 V227 L228 S231	A168-K172 WeakPolarHBondContact O-CB 3.49Å; A168-K172 WeakPolarHBondContact O-CG 3.2Å; A168-K172 PolarHBondContact O-N 3.31Å; T169-K172 PolarHBondContact O-N 2.66Å; R170-K172 VanDerWaalsContact C-N 3.34Å; R170-K172 PolarHBondContact O-N 3.24Å; K172-L174 PolarHBondContact O-N 2.96Å; K172-S175 PolarHBondContact O-N 3.36Å; K172-S176 PolarHBondContact O-N 2.84Å; K172-D202 WeakPolarHBondContact CE-OD1 3.39Å; K172-D202 IonicContact NZ-OD1 2.89Å; K172-D202 PolarHBondContact NZ-OD1 3.18Å; K172-V227 WeakPolarHBondContact CD-O 3.31Å; K172-V227 PolarHBondContact NZ-O 2.67Å; K172-L228 VanDerWaalsContact NZ-CD2 3.3Å; K172-S231 PolarHBondContact NZ-OG 3.24Å
173	N	77	Confident	72.4	Confident	79 Å²	79	64.3 Å²	64.3	42%	0.422	34%	0.337	S	S	.	.	H	α-helix	trans	-58.9	-41.3	172.7	-70	-11.7	0	0	0	110.6	L136 T169 R170 S176 L177	L136-N173 HydrophobicContact CD1-CB 4.11Å; L136-N173 HydrophobicContact CD2-CB 3.91Å; T169-N173 WeakPolarHBondContact O-CB 3.17Å; T169-N173 VanDerWaalsContact O-CG 3.25Å; T169-N173 PolarHBondContact O-N 3.22Å; T169-N173 PolarHBondContact O-ND2 2.79Å; R170-N173 PolarHBondContact O-N 3.45Å; N173-S176 PolarHBondContact O-N 2.96Å; N173-L177 WeakPolarHBondContact O-CG 3.44Å; N173-L177 PolarHBondContact O-N 2.88Å
174	L	74.8	Confident	72.4	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-42.5	175.6	-178.1	62	0	0	0	112.4	L136 E139 F140 R170 F171 K172 L177 C178 V194	L136-L174 HydrophobicContact CD2-CB 3.89Å; E139-L174 HydrophobicContact CB-CD2 4.4Å; F140-L174 HydrophobicContact CB-CD1 3.76Å; F140-L174 HydrophobicContact CB-CD2 4.42Å; F140-L174 HydrophobicContact CD2-CD1 3.95Å; F140-L174 HydrophobicContact CG-CD1 4.26Å; R170-L174 WeakPolarHBondContact O-CB 3.02Å; R170-L174 PolarHBondContact O-N 2.88Å; F171-L174 PolarHBondContact O-N 3.11Å; K172-L174 PolarHBondContact O-N 2.96Å; L174-L177 PolarHBondContact O-N 3.48Å; L174-C178 WeakPolarHBondContact O-CB 3.41Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 PolarHBondContact O-SG 3.48Å; L174-V194 HydrophobicContact CD2-CG1 4.26Å; L174-V194 HydrophobicContact CD2-CG2 4.06Å; L174-V194 HydrophobicContact CG-CG1 4.22Å
175	S	73	Confident	72.4	Confident	30 Å²	30	69.4 Å²	69.4	21%	0.21	36%	0.363	C	S	.	.	H	α-helix	trans	-63.4	-42.2	176.5	-176.1	0	0	0	0	112	F171 K172 L177 C178 L179	F171-S175 WeakPolarHBondContact O-CB 3.39Å; F171-S175 PolarHBondContact O-N 3.22Å; K172-S175 PolarHBondContact O-N 3.36Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-L177 PolarHBondContact O-N 2.98Å; S175-C178 WeakPolarHBondContact O-CB 3.49Å; S175-C178 PolarHBondContact O-N 3.49Å; S175-C178 VanDerWaalsContact O-N 3.12Å; S175-L179 PolarHBondContact O-N 2.94Å; S175-L179 VanDerWaalsContact O-N 3.13Å
176	S	76.1	Confident	72.3	Confident	67 Å²	67	76.4 Å²	76.4	47%	0.469	39%	0.387	S	S	.	.	H	α-helix	trans	-59.2	-45	173.1	-170.1	0	0	0	0	111.6	K172 N173 C178 L179	K172-S176 PolarHBondContact O-N 2.84Å; N173-S176 PolarHBondContact O-N 2.96Å; S176-C178 VanDerWaalsContact C-N 3.3Å; S176-C178 PolarHBondContact O-N 3.46Å; S176-L179 WeakPolarHBondContact O-CB 3.44Å; S176-L179 PolarHBondContact O-N 3.3Å
177	L	73.9	Confident	72.2	Confident	78 Å²	78	73.8 Å²	73.8	41%	0.408	37%	0.374	S	S	.	.	H	α-helix	trans	-64	-35	174.9	-73.7	162	0	0	0	112	L136 N173 L174 S175 L179 E180 L181	L136-L177 HydrophobicContact CB-CD1 4.42Å; L136-L177 HydrophobicContact CD1-CD1 3.8Å; N173-L177 WeakPolarHBondContact O-CG 3.44Å; N173-L177 PolarHBondContact O-N 2.88Å; L174-L177 PolarHBondContact O-N 3.48Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-L177 PolarHBondContact O-N 2.98Å; L177-L179 VanDerWaalsContact C-N 3.26Å; L177-L179 PolarHBondContact O-N 3.24Å; L177-E180 PolarHBondContact O-N 3.27Å; L177-L181 PolarHBondContact O-N 2.76Å
178	C	70.7	Confident	72.3	Confident	8 Å²	8	76.9 Å²	76.9	5%	0.054	39%	0.389	C	S	.	.	H	α-helix	trans	-65.6	-27.4	176.3	-71.3	0	0	0	0	113.2	F140 L174 S175 S176 E180 L181 K191	F140-C178 VanDerWaalsContact CE2-SG 3.59Å; L174-C178 WeakPolarHBondContact O-CB 3.41Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 PolarHBondContact O-SG 3.48Å; S175-C178 WeakPolarHBondContact O-CB 3.49Å; S175-C178 PolarHBondContact O-N 3.49Å; S175-C178 VanDerWaalsContact O-N 3.12Å; S176-C178 VanDerWaalsContact C-N 3.3Å; S176-C178 PolarHBondContact O-N 3.46Å; C178-E180 VanDerWaalsContact C-N 3.32Å; C178-L181 PolarHBondContact O-N 2.91Å; C178-K191 HydrophobicContact CB-CG 4.34Å; C178-K191 WeakPolarHBondContact O-CE 3.47Å; C178-K191 PolarHBondContact O-NZ 3.05Å
179	L	73.2	Confident	72.2	Confident	145 Å²	145	82 Å²	82	76%	0.759	42%	0.416	S	S	*	.	H	α-helix	trans	-70.3	-27.3	174.3	-68.3	170.9	0	0	0	112.4	S175 S176 L177	S175-L179 PolarHBondContact O-N 2.94Å; S175-L179 VanDerWaalsContact O-N 3.13Å; S176-L179 WeakPolarHBondContact O-CB 3.44Å; S176-L179 PolarHBondContact O-N 3.3Å; L177-L179 VanDerWaalsContact C-N 3.26Å; L177-L179 PolarHBondContact O-N 3.24Å
180	E	74.9	Confident	72.1	Confident	156 Å²	156	79 Å²	79	73%	0.729	40%	0.398	S	S	*	.	H	α-helix	trans	-81.3	-17.5	177.4	-63.6	-176.4	175.9	0	0	113.3	L177 C178	L177-E180 PolarHBondContact O-N 3.27Å; C178-E180 VanDerWaalsContact C-N 3.32Å
181	L	73.4	Confident	72.2	Confident	60 Å²	60	75.1 Å²	75.1	31%	0.314	38%	0.384	S	S	.	.	S	Bend	trans	-69.5	145.8	178.9	-69.4	172.9	0	0	0	111.3	F140 L177 C178 K191	F140-L181 HydrophobicContact CE2-CD1 4.29Å; F140-L181 HydrophobicContact CZ-CD1 4.02Å; L177-L181 PolarHBondContact O-N 2.76Å; C178-L181 PolarHBondContact O-N 2.91Å; L181-K191 PolarHBondContact O-NZ 2.84Å
182	P	70.7	Confident	72.4	Confident	86 Å²	86	79.7 Å²	79.7	56%	0.558	41%	0.405	S	S	*	.			trans	-56.9	147.3	173.9	-22.9	32.5	0	0	0	113.1	D184 K191	P182-D184 PolarHBondContact O-N 3.33Å; P182-K191 PolarHBondContact O-NZ 3.5Å
183	D	64.8	Low	72.5	Confident	154 Å²	154	82.6 Å²	82.6	82%	0.824	42%	0.415	S	S	*	.			trans	-78.3	60.5	175.8	-68.3	-30	0	0	0	111.9	K191	D183-K191 IonicContact OD1-NZ 2.94Å; D183-K191 PolarHBondContact OD1-NZ 3.12Å
184	D	70.3	Confident	72.4	Confident	55 Å²	55	78.8 Å²	78.8	29%	0.294	40%	0.395	S	S	.	.			trans	-94.4	140	175.7	-164.1	-25.2	0	0	0	109.7	P182 R186 F187 L188	P182-D184 PolarHBondContact O-N 3.33Å; D184-R186 PolarHBondContact O-N 3.46Å; D184-R186 IonicContact OD1-NE 3.43Å; D184-R186 PolarHBondContact OD1-NE 2.99Å; D184-R186 IonicContact OD1-NH2 3.99Å; D184-R186 IonicContact OD2-CZ 3.3Å; D184-R186 VanDerWaalsContact OD2-CZ 3.3Å; D184-R186 IonicContact OD2-NE 3.13Å; D184-R186 PolarHBondContact OD2-NE 3.01Å; D184-R186 VanDerWaalsContact OD2-NE 3.13Å; D184-R186 IonicContact OD2-NH2 2.74Å; D184-R186 PolarHBondContact OD2-NH2 3.05Å; D184-F187 HydrophobicContact CB-CD2 3.94Å; D184-F187 HydrophobicContact CB-CE2 4.3Å; D184-F187 PolarHBondContact O-N 3.11Å; D184-L188 PolarHBondContact O-N 3.27Å
185	E	69.5	Low	72.5	Confident	167 Å²	167	81.6 Å²	81.6	78%	0.78	41%	0.412	S	S	*	.	H	α-helix	trans	-54	-29.5	-178.4	-69.2	-172.6	162	0	0	112.4	F187 L188	E185-F187 VanDerWaalsContact C-N 3.29Å; E185-F187 PolarHBondContact O-N 3.49Å; E185-L188 PolarHBondContact O-N 2.94Å
186	R	69	Low	72.8	Confident	173 Å²	173	83.3 Å²	83.3	65%	0.653	42%	0.421	S	S	*	.	H	α-helix	trans	-63.2	-30.6	178.6	-69.4	-179.9	-86	-173.3	-5.4	114.1	W144 D184	W144-R186 PolarHBondContact NE1-O 2.96Å; D184-R186 PolarHBondContact O-N 3.46Å; D184-R186 IonicContact OD1-NE 3.43Å; D184-R186 PolarHBondContact OD1-NE 2.99Å; D184-R186 IonicContact OD1-NH2 3.99Å; D184-R186 IonicContact OD2-CZ 3.3Å; D184-R186 VanDerWaalsContact OD2-CZ 3.3Å; D184-R186 IonicContact OD2-NE 3.13Å; D184-R186 PolarHBondContact OD2-NE 3.01Å; D184-R186 VanDerWaalsContact OD2-NE 3.13Å; D184-R186 IonicContact OD2-NH2 2.74Å; D184-R186 PolarHBondContact OD2-NH2 3.05Å
187	F	69.5	Low	72.7	Confident	51 Å²	51	80.2 Å²	80.2	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-100.1	-17.5	179.4	-55.8	-64.6	0	0	0	112.1	F140 W144 D184 E185 N189 A190 K191	F140-F187 HydrophobicContact CE1-CD1 4.39Å; F140-F187 HydrophobicContact CZ-CD1 4.31Å; W144-F187 HydrophobicContact CZ2-CD1 4.5Å; W144-F187 HydrophobicContact CZ2-CE1 4.1Å; D184-F187 HydrophobicContact CB-CD2 3.94Å; D184-F187 HydrophobicContact CB-CE2 4.3Å; D184-F187 PolarHBondContact O-N 3.11Å; E185-F187 VanDerWaalsContact C-N 3.29Å; E185-F187 PolarHBondContact O-N 3.49Å; F187-N189 VanDerWaalsContact C-N 3.34Å; F187-N189 PolarHBondContact O-N 3.14Å; F187-A190 PolarHBondContact O-N 2.86Å; F187-K191 HydrophobicContact CB-CG 4.49Å; F187-K191 WeakPolarHBondContact O-CG 3.33Å; F187-K191 PolarHBondContact O-N 2.92Å
188	L	73.2	Confident	72.8	Confident	80 Å²	80	77.1 Å²	77.1	42%	0.419	38%	0.384	S	S	.	.	H	α-helix	trans	-55.5	-45.3	-173.9	-170.4	65.5	0	0	0	112.7	D184 E185 A190 K191 Q192	D184-L188 PolarHBondContact O-N 3.27Å; E185-L188 PolarHBondContact O-N 2.94Å; L188-A190 PolarHBondContact O-N 3.39Å; L188-K191 PolarHBondContact O-N 2.86Å; L188-Q192 WeakPolarHBondContact O-CB 3.44Å; L188-Q192 VanDerWaalsContact O-CG 3.29Å; L188-Q192 WeakPolarHBondContact O-CG 3.37Å; L188-Q192 PolarHBondContact O-N 3.35Å
189	N	72.6	Confident	73.2	Confident	106 Å²	106	82.1 Å²	82.1	57%	0.567	41%	0.407	S	S	*	.	H	α-helix	trans	-62.6	-40.9	177.6	-77.7	-37.1	0	0	0	112.9	F187 R193	F187-N189 VanDerWaalsContact C-N 3.34Å; F187-N189 PolarHBondContact O-N 3.14Å; N189-R193 VanDerWaalsContact O-CG 3.28Å; N189-R193 WeakPolarHBondContact O-CG 3.38Å; N189-R193 PolarHBondContact O-N 3.48Å
190	A	71.2	Confident	73.5	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.008	40%	0.395	C	S	.	.	H	α-helix	trans	-71.3	-43.1	177.3	0	0	0	0	0	111.6	F140 F187 L188 Q192 R193 V194	F140-A190 HydrophobicContact CE2-CB 3.88Å; F140-A190 HydrophobicContact CZ-CB 3.75Å; F187-A190 PolarHBondContact O-N 2.86Å; L188-A190 PolarHBondContact O-N 3.39Å; A190-Q192 VanDerWaalsContact C-N 3.31Å; A190-Q192 PolarHBondContact O-N 3.04Å; A190-R193 PolarHBondContact O-N 3.32Å; A190-V194 WeakPolarHBondContact O-CB 3.31Å; A190-V194 VanDerWaalsContact O-CG2 3.3Å; A190-V194 WeakPolarHBondContact O-CG2 3.36Å; A190-V194 PolarHBondContact O-N 3.22Å
191	K	72.9	Confident	73.6	Confident	24 Å²	24	73.2 Å²	73.2	10%	0.104	36%	0.361	C	S	.	.	H	α-helix	trans	-55.3	-46.8	173	-71.6	-170.8	-177.6	-165.8	0	110.9	C178 L181 P182 D183 F187 L188 V194 T195	C178-K191 HydrophobicContact CB-CG 4.34Å; C178-K191 WeakPolarHBondContact O-CE 3.47Å; C178-K191 PolarHBondContact O-NZ 3.05Å; L181-K191 PolarHBondContact O-NZ 2.84Å; P182-K191 PolarHBondContact O-NZ 3.5Å; D183-K191 IonicContact OD1-NZ 2.94Å; D183-K191 PolarHBondContact OD1-NZ 3.12Å; F187-K191 HydrophobicContact CB-CG 4.49Å; F187-K191 WeakPolarHBondContact O-CG 3.33Å; F187-K191 PolarHBondContact O-N 2.92Å; L188-K191 PolarHBondContact O-N 2.86Å; K191-V194 PolarHBondContact O-N 2.79Å; K191-T195 WeakPolarHBondContact O-CB 3.28Å; K191-T195 PolarHBondContact O-N 3.26Å; K191-T195 PolarHBondContact O-OG1 3.17Å
192	Q	75.8	Confident	74.1	Confident	107 Å²	107	71 Å²	71	50%	0.5	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-46.7	177.1	-75.4	177.1	-2.7	0	0	112	L188 A190 T195 V196	L188-Q192 WeakPolarHBondContact O-CB 3.44Å; L188-Q192 VanDerWaalsContact O-CG 3.29Å; L188-Q192 WeakPolarHBondContact O-CG 3.37Å; L188-Q192 PolarHBondContact O-N 3.35Å; A190-Q192 VanDerWaalsContact C-N 3.31Å; A190-Q192 PolarHBondContact O-N 3.04Å; Q192-T195 PolarHBondContact O-N 3.24Å; Q192-V196 VanDerWaalsContact O-CG2 3.3Å; Q192-V196 WeakPolarHBondContact O-CG2 3.43Å; Q192-V196 PolarHBondContact O-N 3.18Å
193	R	75.7	Confident	74.6	Confident	100 Å²	100	70.6 Å²	70.6	38%	0.377	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-41.6	178.2	-70.7	172.8	179.9	-171.1	-3.2	112.9	F143 G145 N189 A190 T195 V196 A197	F143-R193 HydrophobicContact CD1-CB 3.72Å; F143-R193 HydrophobicContact CE1-CB 4.35Å; F143-R193 PolarHBondContact O-NH1 2.85Å; G145-R193 PolarHBondContact O-NH1 3.31Å; N189-R193 VanDerWaalsContact O-CG 3.28Å; N189-R193 WeakPolarHBondContact O-CG 3.38Å; N189-R193 PolarHBondContact O-N 3.48Å; A190-R193 PolarHBondContact O-N 3.32Å; R193-T195 VanDerWaalsContact C-N 3.34Å; R193-V196 PolarHBondContact O-N 3.47Å; R193-A197 VanDerWaalsContact O-CB 3.28Å; R193-A197 WeakPolarHBondContact O-CB 3.45Å; R193-A197 PolarHBondContact O-N 3.44Å
194	V	75	Confident	75.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-41.1	174.9	172	0	0	0	0	110.4	F140 F143 L174 A190 K191 A197 C198	F140-V194 HydrophobicContact CD2-CG2 4.43Å; F143-V194 HydrophobicContact CB-CG2 4.22Å; F143-V194 HydrophobicContact CD1-CG2 4.31Å; F143-V194 HydrophobicContact CD2-CG2 3.91Å; F143-V194 HydrophobicContact CE2-CG2 4.49Å; F143-V194 HydrophobicContact CG-CG2 3.84Å; L174-V194 HydrophobicContact CD2-CG1 4.26Å; L174-V194 HydrophobicContact CD2-CG2 4.06Å; L174-V194 HydrophobicContact CG-CG1 4.22Å; A190-V194 WeakPolarHBondContact O-CB 3.31Å; A190-V194 VanDerWaalsContact O-CG2 3.3Å; A190-V194 WeakPolarHBondContact O-CG2 3.36Å; A190-V194 PolarHBondContact O-N 3.22Å; K191-V194 PolarHBondContact O-N 2.79Å; V194-A197 WeakPolarHBondContact O-CB 3.23Å; V194-A197 PolarHBondContact O-N 3.37Å; V194-C198 PolarHBondContact O-N 3.2Å; V194-C198 PolarHBondContact O-SG 2.89Å; V194-C198 VanDerWaalsContact O-SG 3.35Å
195	T	77	Confident	76.1	Confident	65 Å²	65	61.2 Å²	61.2	40%	0.399	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-47	176	-56.6	0	0	0	0	111.5	K191 Q192 R193 A197 C198 Q199	K191-T195 WeakPolarHBondContact O-CB 3.28Å; K191-T195 PolarHBondContact O-N 3.26Å; K191-T195 PolarHBondContact O-OG1 3.17Å; Q192-T195 PolarHBondContact O-N 3.24Å; R193-T195 VanDerWaalsContact C-N 3.34Å; T195-A197 VanDerWaalsContact C-N 3.32Å; T195-A197 PolarHBondContact O-N 3.34Å; T195-C198 PolarHBondContact O-N 2.9Å; T195-Q199 WeakPolarHBondContact O-CG 3.45Å; T195-Q199 PolarHBondContact O-N 2.8Å
196	V	78.8	Confident	76.7	Confident	67 Å²	67	54.2 Å²	54.2	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-40.2	176.2	172.4	0	0	0	0	110.8	Q192 R193 Q199 H200	Q192-V196 VanDerWaalsContact O-CG2 3.3Å; Q192-V196 WeakPolarHBondContact O-CG2 3.43Å; Q192-V196 PolarHBondContact O-N 3.18Å; R193-V196 PolarHBondContact O-N 3.47Å; V196-Q199 PolarHBondContact O-N 3.25Å; V196-H200 WeakPolarHBondContact CG1-CE1 3.48Å; V196-H200 WeakPolarHBondContact CG1-ND1 3.37Å; V196-H200 PolarHBondContact O-N 2.91Å; V196-H200 PolarHBondContact O-ND1 3.21Å
197	A	74.5	Confident	77.5	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-46.5	175.4	0	0	0	0	0	112.5	F143 V151 F171 R193 V194 T195 Q199 H200 L201	F143-A197 HydrophobicContact CE1-CB 4.12Å; F143-A197 HydrophobicContact CZ-CB 4.06Å; V151-A197 HydrophobicContact CG2-CB 3.25Å; F171-A197 HydrophobicContact CD1-CB 4.29Å; F171-A197 HydrophobicContact CE1-CB 4.05Å; R193-A197 VanDerWaalsContact O-CB 3.28Å; R193-A197 WeakPolarHBondContact O-CB 3.45Å; R193-A197 PolarHBondContact O-N 3.44Å; V194-A197 WeakPolarHBondContact O-CB 3.23Å; V194-A197 PolarHBondContact O-N 3.37Å; T195-A197 VanDerWaalsContact C-N 3.32Å; T195-A197 PolarHBondContact O-N 3.34Å; A197-Q199 VanDerWaalsContact C-N 3.32Å; A197-Q199 PolarHBondContact O-N 3.4Å; A197-H200 PolarHBondContact O-N 3.31Å; A197-L201 VanDerWaalsContact O-CB 3.31Å; A197-L201 WeakPolarHBondContact O-CB 3.36Å; A197-L201 PolarHBondContact O-N 3.03Å
198	C	76	Confident	78.1	Confident	13 Å²	13	52.3 Å²	52.3	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-40.8	174.6	-71.2	0	0	0	0	111.8	F171 V194 T195 L201 D202	F171-C198 PolarHBondContact O-SG 2.89Å; V194-C198 PolarHBondContact O-N 3.2Å; V194-C198 PolarHBondContact O-SG 2.89Å; V194-C198 VanDerWaalsContact O-SG 3.35Å; T195-C198 PolarHBondContact O-N 2.9Å; C198-L201 PolarHBondContact O-N 2.97Å; C198-D202 WeakPolarHBondContact O-CB 3.28Å; C198-D202 PolarHBondContact O-N 2.68Å
199	Q	78.8	Confident	78.6	Confident	113 Å²	113	48.5 Å²	48.5	53%	0.528	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-46.9	176	-73.4	176.7	-12.3	0	0	112.2	T195 V196 A197 L201 D202 T203	T195-Q199 WeakPolarHBondContact O-CG 3.45Å; T195-Q199 PolarHBondContact O-N 2.8Å; V196-Q199 PolarHBondContact O-N 3.25Å; A197-Q199 VanDerWaalsContact C-N 3.32Å; A197-Q199 PolarHBondContact O-N 3.4Å; Q199-L201 VanDerWaalsContact C-N 3.28Å; Q199-L201 PolarHBondContact O-N 3.21Å; Q199-D202 PolarHBondContact O-N 3.23Å; Q199-T203 PolarHBondContact O-N 2.88Å; Q199-T203 PolarHBondContact O-OG1 3Å; Q199-T203 VanDerWaalsContact O-OG1 3.08Å
200	H	80	Confident	79.2	Confident	108 Å²	108	47 Å²	47	50%	0.5	23%	0.228	S	C	.	.	H	α-helix	trans	-61.5	-39.2	177.1	-76.9	74.7	0	0	0	111.9	V151 V196 A197 T203 A204	V151-H200 HydrophobicContact CG1-CB 4.15Å; V196-H200 WeakPolarHBondContact CG1-CE1 3.48Å; V196-H200 WeakPolarHBondContact CG1-ND1 3.37Å; V196-H200 PolarHBondContact O-N 2.91Å; V196-H200 PolarHBondContact O-ND1 3.21Å; A197-H200 PolarHBondContact O-N 3.31Å; H200-T203 PolarHBondContact O-N 3.41Å; H200-A204 WeakPolarHBondContact O-CB 3.3Å; H200-A204 PolarHBondContact O-N 3.42Å
201	L	77.5	Confident	79.9	Confident	6 Å²	6	49.6 Å²	49.6	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-71.2	-38.5	179.5	-169.6	57.5	0	0	0	112.2	V155 L164 A168 F171 A197 C198 Q199 A204 L205	V155-L201 HydrophobicContact CG2-CD1 4.21Å; L164-L201 HydrophobicContact CD1-CD1 4.3Å; L164-L201 HydrophobicContact CD2-CD1 4.06Å; L164-L201 HydrophobicContact CG-CD1 3.95Å; A168-L201 HydrophobicContact CB-CD1 4.45Å; A168-L201 HydrophobicContact CB-CD2 3.58Å; A168-L201 HydrophobicContact CB-CG 3.89Å; F171-L201 HydrophobicContact CB-CD2 4.01Å; F171-L201 HydrophobicContact CD2-CD2 3.95Å; F171-L201 HydrophobicContact CG-CD2 4.19Å; A197-L201 VanDerWaalsContact O-CB 3.31Å; A197-L201 WeakPolarHBondContact O-CB 3.36Å; A197-L201 PolarHBondContact O-N 3.03Å; C198-L201 PolarHBondContact O-N 2.97Å; Q199-L201 VanDerWaalsContact C-N 3.28Å; Q199-L201 PolarHBondContact O-N 3.21Å; L201-A204 PolarHBondContact O-N 3.47Å; L201-L205 WeakPolarHBondContact O-CB 3.38Å; L201-L205 VanDerWaalsContact O-CG 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.42Å; L201-L205 PolarHBondContact O-N 2.94Å
202	D	82.2	Confident	80.4	Confident	14 Å²	14	49 Å²	49	8%	0.075	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-43.7	171.6	-78.1	-12.7	0	0	0	110.8	K172 C198 Q199 A204 L205 L206 L228 N233	K172-D202 WeakPolarHBondContact CE-OD1 3.39Å; K172-D202 IonicContact NZ-OD1 2.89Å; K172-D202 PolarHBondContact NZ-OD1 3.18Å; C198-D202 WeakPolarHBondContact O-CB 3.28Å; C198-D202 PolarHBondContact O-N 2.68Å; Q199-D202 PolarHBondContact O-N 3.23Å; D202-A204 PolarHBondContact O-N 2.94Å; D202-L205 PolarHBondContact O-N 3.26Å; D202-L206 VanDerWaalsContact O-CG 3.24Å; D202-L206 WeakPolarHBondContact O-CG 3.39Å; D202-L206 PolarHBondContact O-N 3.49Å; D202-L228 HydrophobicContact CB-CD2 4.42Å; D202-L228 VanDerWaalsContact OD1-CD2 3.26Å; D202-L228 WeakPolarHBondContact OD1-CD2 3.35Å; D202-N233 WeakPolarHBondContact CB-ND2 2.87Å; D202-N233 PolarHBondContact OD2-ND2 2.94Å
203	T	82.3	Confident	80.8	Confident	77 Å²	77	45.6 Å²	45.6	47%	0.472	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-45	174.4	-53.5	0	0	0	0	111.9	Q199 H200 L205 L206 E207	Q199-T203 PolarHBondContact O-N 2.88Å; Q199-T203 PolarHBondContact O-OG1 3Å; Q199-T203 VanDerWaalsContact O-OG1 3.08Å; H200-T203 PolarHBondContact O-N 3.41Å; T203-L205 VanDerWaalsContact C-N 3.35Å; T203-L205 PolarHBondContact O-N 3.24Å; T203-L206 PolarHBondContact O-N 3.43Å; T203-E207 PolarHBondContact O-N 3.31Å
204	A	82	Confident	81.2	Confident	11 Å²	11	46.7 Å²	46.7	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-38.1	177	0	0	0	0	0	112.6	V155 H200 L201 D202 E207 R208	V155-A204 HydrophobicContact CG1-CB 3.83Å; V155-A204 HydrophobicContact CG2-CB 4.42Å; H200-A204 WeakPolarHBondContact O-CB 3.3Å; H200-A204 PolarHBondContact O-N 3.42Å; L201-A204 PolarHBondContact O-N 3.47Å; D202-A204 PolarHBondContact O-N 2.94Å; A204-E207 PolarHBondContact O-N 2.92Å; A204-R208 WeakPolarHBondContact O-CB 3.5Å; A204-R208 WeakPolarHBondContact O-CG 3.44Å; A204-R208 PolarHBondContact O-N 3.39Å
205	L	83.5	Confident	81.6	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-40.2	174	-79	171.6	0	0	0	111.7	L164 L165 A168 L201 D202 T203 R208 F209 I224 V227 L228	L164-L205 HydrophobicContact CD2-CD2 3.29Å; L164-L205 HydrophobicContact CD2-CG 3.84Å; L165-L205 HydrophobicContact CD2-CD2 4.15Å; A168-L205 HydrophobicContact CB-CD1 3.77Å; L201-L205 WeakPolarHBondContact O-CB 3.38Å; L201-L205 VanDerWaalsContact O-CG 3.28Å; L201-L205 WeakPolarHBondContact O-CG 3.42Å; L201-L205 PolarHBondContact O-N 2.94Å; D202-L205 PolarHBondContact O-N 3.26Å; T203-L205 VanDerWaalsContact C-N 3.35Å; T203-L205 PolarHBondContact O-N 3.24Å; L205-R208 PolarHBondContact O-N 2.91Å; L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 PolarHBondContact O-N 3.25Å; L205-I224 HydrophobicContact CB-CG2 4.12Å; L205-I224 HydrophobicContact CD2-CG1 4.11Å; L205-I224 HydrophobicContact CD2-CG2 4.14Å; L205-V227 HydrophobicContact CD1-CG1 4Å; L205-L228 HydrophobicContact CB-CD1 4.3Å; L205-L228 HydrophobicContact CB-CD2 4.47Å; L205-L228 HydrophobicContact CD1-CD2 3.88Å; L205-L228 HydrophobicContact CD1-CG 4.32Å
206	L	83.7	Confident	81.8	Confident	19 Å²	19	49.2 Å²	49.2	10%	0.099	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-39.8	177	-69.4	164.6	0	0	0	112.3	D202 T203 F209 R210 L228 N233 Q236 I240	D202-L206 VanDerWaalsContact O-CG 3.24Å; D202-L206 WeakPolarHBondContact O-CG 3.39Å; D202-L206 PolarHBondContact O-N 3.49Å; T203-L206 PolarHBondContact O-N 3.43Å; L206-F209 WeakPolarHBondContact O-CB 3.49Å; L206-F209 PolarHBondContact O-N 3.26Å; L206-R210 PolarHBondContact O-N 3.18Å; L206-L228 HydrophobicContact CD2-CD1 4.02Å; L206-L228 HydrophobicContact CG-CD1 4.38Å; L206-N233 HydrophobicContact CD1-CB 4.41Å; L206-Q236 HydrophobicContact CD1-CB 4.26Å; L206-Q236 HydrophobicContact CD2-CB 3.85Å; L206-I240 HydrophobicContact CB-CD1 3.97Å; L206-I240 HydrophobicContact CD2-CD1 3.81Å; L206-I240 HydrophobicContact CG-CD1 4.47Å
207	E	84.9	Confident	82	Confident	135 Å²	135	49.7 Å²	49.7	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-62.6	-43.5	172.3	-73.2	-179.7	177.7	0	0	111.4	T203 A204 F209 R210 A211	T203-E207 PolarHBondContact O-N 3.31Å; A204-E207 PolarHBondContact O-N 2.92Å; E207-F209 VanDerWaalsContact C-N 3.35Å; E207-R210 PolarHBondContact O-N 3.38Å; E207-A211 PolarHBondContact O-N 2.9Å
208	R	81.7	Confident	82.4	Confident	49 Å²	49	52.3 Å²	52.3	19%	0.185	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-34.7	174	-74.6	-169.9	-179.4	-155.5	4	112.6	S159 A204 L205 A211 N212 I224	S159-R208 PolarHBondContact O-NH1 2.98Å; S159-R208 PolarHBondContact O-NH2 2.75Å; S159-R208 PolarHBondContact OG-NH2 3.42Å; A204-R208 WeakPolarHBondContact O-CB 3.5Å; A204-R208 WeakPolarHBondContact O-CG 3.44Å; A204-R208 PolarHBondContact O-N 3.39Å; L205-R208 PolarHBondContact O-N 2.91Å; R208-A211 PolarHBondContact O-N 3.2Å; R208-N212 WeakPolarHBondContact O-CB 3.48Å; R208-N212 PolarHBondContact O-N 3.15Å; R208-N212 PolarHBondContact O-ND2 2.97Å; R208-I224 HydrophobicContact CB-CD1 4.16Å
209	F	85.1	Confident	82.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-45.8	174.3	-174	-92.5	0	0	0	110.5	L205 L206 E207 A211 N212 F213 M221 I224 A225 C237 I240 L273 F274	L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 PolarHBondContact O-N 3.25Å; L206-F209 WeakPolarHBondContact O-CB 3.49Å; L206-F209 PolarHBondContact O-N 3.26Å; E207-F209 VanDerWaalsContact C-N 3.35Å; F209-A211 PolarHBondContact O-N 2.98Å; F209-N212 PolarHBondContact O-N 2.78Å; F209-F213 WeakPolarHBondContact O-CB 3.31Å; F209-F213 PolarHBondContact O-N 2.73Å; F209-M221 HydrophobicContact CD2-CB 4.22Å; F209-M221 HydrophobicContact CD2-CE 4.43Å; F209-M221 HydrophobicContact CD2-CG 4.24Å; F209-M221 HydrophobicContact CE1-CE 3.78Å; F209-M221 HydrophobicContact CE2-CB 3.86Å; F209-M221 HydrophobicContact CE2-CE 3.68Å; F209-M221 HydrophobicContact CE2-CG 4.13Å; F209-M221 HydrophobicContact CZ-CE 3.31Å; F209-I224 HydrophobicContact CB-CD1 4.37Å; F209-I224 HydrophobicContact CB-CG2 4.08Å; F209-I224 HydrophobicContact CD2-CB 4.17Å; F209-I224 HydrophobicContact CD2-CG2 3.98Å; F209-I224 HydrophobicContact CG-CG2 4.48Å; F209-A225 HydrophobicContact CE2-CB 4.45Å; F209-C237 HydrophobicContact CD1-CB 4.38Å; F209-C237 HydrophobicContact CE1-CB 4.03Å; F209-C237 WeakPolarHBondContact CE1-O 3.46Å; F209-C237 HydrophobicContact CE2-CB 4.28Å; F209-C237 HydrophobicContact CZ-CB 3.97Å; F209-I240 HydrophobicContact CD1-CB 4.33Å; F209-I240 HydrophobicContact CD1-CG2 4.04Å; F209-I240 HydrophobicContact CE1-CG2 4.44Å; F209-L273 HydrophobicContact CZ-CD1 4.49Å; F209-F274 HydrophobicContact CZ-CZ 4.36Å
210	R	85.3	Confident	82.7	Confident	74 Å²	74	55.5 Å²	55.5	28%	0.279	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-44.7	174.7	-168	-179.3	-66.8	-114.3	3.3	111.6	L206 E207 F213 L214 I240 E243 E244	L206-R210 PolarHBondContact O-N 3.18Å; E207-R210 PolarHBondContact O-N 3.38Å; R210-F213 PolarHBondContact O-N 2.75Å; R210-L214 WeakPolarHBondContact O-CG 3.18Å; R210-L214 PolarHBondContact O-N 3.36Å; R210-I240 HydrophobicContact CB-CG2 3.86Å; R210-I240 HydrophobicContact CG-CG2 3.97Å; R210-E243 IonicContact CZ-OE2 3.47Å; R210-E243 IonicContact NH1-OE1 2.76Å; R210-E243 PolarHBondContact NH1-OE1 2.91Å; R210-E243 IonicContact NH1-OE2 3.51Å; R210-E243 PolarHBondContact NH1-OE2 3.46Å; R210-E243 IonicContact NH2-OE2 3.52Å; R210-E243 PolarHBondContact NH2-OE2 3.24Å; R210-E244 HydrophobicContact CG-CG 4.13Å; R210-E244 IonicContact CZ-OE1 2.6Å; R210-E244 IonicContact NH1-OE1 3.11Å; R210-E244 PolarHBondContact NH1-OE1 3.11Å
211	A	84.9	Confident	82.9	Confident	57 Å²	57	50.4 Å²	50.4	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-63.8	-42.6	177.9	0	0	0	0	0	112.7	E207 R208 F209 L214 A215	E207-A211 PolarHBondContact O-N 2.9Å; R208-A211 PolarHBondContact O-N 3.2Å; F209-A211 PolarHBondContact O-N 2.98Å; A211-L214 PolarHBondContact O-N 3.44Å; A211-A215 PolarHBondContact O-N 2.96Å
212	N	82.9	Confident	83.1	Confident	12 Å²	12	54.8 Å²	54.8	6%	0.064	30%	0.304	C	S	.	.	H	α-helix	trans	-70.5	-32	178	-82.7	-73.2	0	0	0	113.2	E161 R208 F209 L214 A215 G216 N217 T220 M221	E161-N212 PolarHBondContact OE1-ND2 2.82Å; E161-N212 PolarHBondContact OE1-OD1 3.32Å; R208-N212 WeakPolarHBondContact O-CB 3.48Å; R208-N212 PolarHBondContact O-N 3.15Å; R208-N212 PolarHBondContact O-ND2 2.97Å; F209-N212 PolarHBondContact O-N 2.78Å; N212-L214 VanDerWaalsContact C-N 3.34Å; N212-A215 PolarHBondContact O-N 2.77Å; N212-G216 PolarHBondContact O-N 3.47Å; N212-N217 HydrophobicContact CB-CB 4.29Å; N212-N217 PolarHBondContact O-N 3.39Å; N212-N217 WeakPolarHBondContact OD1-CB 3.48Å; N212-N217 PolarHBondContact OD1-ND2 3.15Å; N212-N217 VanDerWaalsContact OD1-ND2 3.15Å; N212-T220 PolarHBondContact OD1-OG1 3.14Å; N212-M221 HydrophobicContact CB-CG 3.84Å
213	F	85	Confident	83	Confident	35 Å²	35	56.5 Å²	56.5	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-46.2	170.6	-179.5	-95.1	0	0	0	111.1	F209 R210 A215 G216 M221 L241 E244 T245 L269	F209-F213 WeakPolarHBondContact O-CB 3.31Å; F209-F213 PolarHBondContact O-N 2.73Å; R210-F213 PolarHBondContact O-N 2.75Å; F213-A215 VanDerWaalsContact C-N 3.3Å; F213-A215 PolarHBondContact O-N 3.39Å; F213-G216 PolarHBondContact O-N 3.45Å; F213-M221 VanDerWaalsContact CA-SD 3.57Å; F213-M221 HydrophobicContact CB-CE 3.97Å; F213-M221 HydrophobicContact CB-SD 3.99Å; F213-M221 HydrophobicContact CD2-CE 3.59Å; F213-M221 HydrophobicContact CD2-SD 4.1Å; F213-M221 HydrophobicContact CG-CE 4.28Å; F213-L241 HydrophobicContact CD2-CG 4.39Å; F213-L241 HydrophobicContact CE2-CD1 4.33Å; F213-L241 HydrophobicContact CE2-CG 3.87Å; F213-E244 HydrophobicContact CD1-CB 3.52Å; F213-E244 HydrophobicContact CD1-CG 4.12Å; F213-E244 HydrophobicContact CE1-CB 3.33Å; F213-E244 HydrophobicContact CE1-CG 4.41Å; F213-E244 HydrophobicContact CZ-CB 4.25Å; F213-T245 WeakPolarHBondContact CZ-OG1 3.46Å; F213-L269 HydrophobicContact CD2-CD2 4.2Å; F213-L269 HydrophobicContact CE2-CD2 3.75Å
214	L	83.4	Confident	83	Confident	123 Å²	123	52.9 Å²	52.9	64%	0.644	30%	0.295	S	S	*	.	H	α-helix	trans	-66.4	-31.1	176.9	-65.4	173.4	0	0	0	112.9	R210 A211 N212	R210-L214 WeakPolarHBondContact O-CG 3.18Å; R210-L214 PolarHBondContact O-N 3.36Å; A211-L214 PolarHBondContact O-N 3.44Å; N212-L214 VanDerWaalsContact C-N 3.34Å
215	A	84.1	Confident	82.9	Confident	65 Å²	65	52.4 Å²	52.4	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-80.3	-16.5	176.2	0	0	0	0	0	114	A211 N212 F213	A211-A215 PolarHBondContact O-N 2.96Å; N212-A215 PolarHBondContact O-N 2.77Å; F213-A215 VanDerWaalsContact C-N 3.3Å; F213-A215 PolarHBondContact O-N 3.39Å
216	G	80.3	Confident	82.8	Confident	52 Å²	52	56.1 Å²	56.1	54%	0.536	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	17	-177	0	0	0	0	0	115	N212 F213 V218	N212-G216 PolarHBondContact O-N 3.47Å; F213-G216 PolarHBondContact O-N 3.45Å; G216-V218 PolarHBondContact O-N 2.96Å; G216-V218 VanDerWaalsContact O-N 3.17Å
217	N	84.8	Confident	82.4	Confident	77 Å²	77	56.4 Å²	56.4	41%	0.412	31%	0.313	S	S	.	.			trans	-84.5	87.6	-177.7	-68.3	-22.1	0	0	0	111.5	N212 E219 T220 M221	N212-N217 HydrophobicContact CB-CB 4.29Å; N212-N217 PolarHBondContact O-N 3.39Å; N212-N217 WeakPolarHBondContact OD1-CB 3.48Å; N212-N217 PolarHBondContact OD1-ND2 3.15Å; N212-N217 VanDerWaalsContact OD1-ND2 3.15Å; N217-E219 PolarHBondContact O-N 3.31Å; N217-T220 VanDerWaalsContact CB-OG1 3.31Å; N217-T220 WeakPolarHBondContact CB-OG1 3.47Å; N217-T220 PolarHBondContact O-OG1 3.44Å; N217-T220 VanDerWaalsContact O-OG1 3.11Å; N217-M221 VanDerWaalsContact O-CG 3.3Å; N217-M221 WeakPolarHBondContact O-CG 3.38Å; N217-M221 PolarHBondContact O-N 3.29Å
218	V	82	Confident	82.2	Confident	58 Å²	58	50 Å²	50	35%	0.352	28%	0.283	S	S	.	.	H	α-helix	trans	-66.7	-34.7	-175.8	-176	0	0	0	0	113	G216 K222 L269 L273	G216-V218 PolarHBondContact O-N 2.96Å; G216-V218 VanDerWaalsContact O-N 3.17Å; V218-K222 WeakPolarHBondContact O-CB 3.41Å; V218-K222 PolarHBondContact O-N 3.1Å; V218-L269 HydrophobicContact CB-CD1 4.28Å; V218-L269 HydrophobicContact CG1-CD1 3.73Å; V218-L269 HydrophobicContact CG2-CD1 3.67Å; V218-L273 HydrophobicContact CG1-CD2 4.48Å
219	E	81.4	Confident	81.8	Confident	165 Å²	165	50.7 Å²	50.7	77%	0.771	29%	0.29	S	S	*	.	H	α-helix	trans	-67.2	-41.8	-176.5	-64.9	-178.5	178	0	0	112.7	N217 K222 S223	N217-E219 PolarHBondContact O-N 3.31Å; E219-K222 PolarHBondContact O-N 3.28Å; E219-S223 PolarHBondContact O-N 3.44Å; E219-S223 PolarHBondContact O-OG 3.05Å
220	T	79.3	Confident	81	Confident	27 Å²	27	59 Å²	59	17%	0.166	33%	0.333	C	S	.	.	H	α-helix	trans	-73.5	-40	178.7	58.3	0	0	0	0	110.5	E161 N212 N217 K222 S223 I224	E161-T220 VanDerWaalsContact CD-CG2 3.46Å; E161-T220 HydrophobicContact CG-CG2 4.43Å; E161-T220 VanDerWaalsContact OE1-CB 3.3Å; E161-T220 WeakPolarHBondContact OE1-CB 3.38Å; E161-T220 VanDerWaalsContact OE2-CG2 3.27Å; E161-T220 WeakPolarHBondContact OE2-CG2 3.48Å; N212-T220 PolarHBondContact OD1-OG1 3.14Å; N217-T220 VanDerWaalsContact CB-OG1 3.31Å; N217-T220 WeakPolarHBondContact CB-OG1 3.47Å; N217-T220 PolarHBondContact O-OG1 3.44Å; N217-T220 VanDerWaalsContact O-OG1 3.11Å; T220-K222 VanDerWaalsContact C-N 3.31Å; T220-K222 PolarHBondContact O-N 3.08Å; T220-S223 PolarHBondContact O-N 2.99Å; T220-I224 VanDerWaalsContact O-CG1 3.27Å; T220-I224 WeakPolarHBondContact O-CG1 3.48Å; T220-I224 PolarHBondContact O-N 3.06Å
221	M	83.7	Confident	80.3	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-55.4	-45.2	170.3	-76.6	-179	72.2	0	0	112.3	F209 N212 F213 N217 I224 A225 L273	F209-M221 HydrophobicContact CD2-CB 4.22Å; F209-M221 HydrophobicContact CD2-CE 4.43Å; F209-M221 HydrophobicContact CD2-CG 4.24Å; F209-M221 HydrophobicContact CE1-CE 3.78Å; F209-M221 HydrophobicContact CE2-CB 3.86Å; F209-M221 HydrophobicContact CE2-CE 3.68Å; F209-M221 HydrophobicContact CE2-CG 4.13Å; F209-M221 HydrophobicContact CZ-CE 3.31Å; N212-M221 HydrophobicContact CB-CG 3.84Å; F213-M221 VanDerWaalsContact CA-SD 3.57Å; F213-M221 HydrophobicContact CB-CE 3.97Å; F213-M221 HydrophobicContact CB-SD 3.99Å; F213-M221 HydrophobicContact CD2-CE 3.59Å; F213-M221 HydrophobicContact CD2-SD 4.1Å; F213-M221 HydrophobicContact CG-CE 4.28Å; N217-M221 VanDerWaalsContact O-CG 3.3Å; N217-M221 WeakPolarHBondContact O-CG 3.38Å; N217-M221 PolarHBondContact O-N 3.29Å; M221-I224 PolarHBondContact O-N 3.47Å; M221-A225 WeakPolarHBondContact O-CB 3.48Å; M221-A225 PolarHBondContact O-N 3.34Å; M221-L273 HydrophobicContact CB-CD2 3.87Å; M221-L273 HydrophobicContact CE-CD1 3.55Å
222	K	82.6	Confident	79.6	Confident	98 Å²	98	63.1 Å²	63.1	43%	0.426	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-47.1	177.1	-173.1	177.8	178.4	178.9	0	111	V218 E219 T220 I224 A225 D226 L273	V218-K222 WeakPolarHBondContact O-CB 3.41Å; V218-K222 PolarHBondContact O-N 3.1Å; E219-K222 PolarHBondContact O-N 3.28Å; T220-K222 VanDerWaalsContact C-N 3.31Å; T220-K222 PolarHBondContact O-N 3.08Å; K222-I224 VanDerWaalsContact C-N 3.3Å; K222-I224 PolarHBondContact O-N 3.5Å; K222-A225 PolarHBondContact O-N 3.16Å; K222-A225 VanDerWaalsContact O-N 3.15Å; K222-D226 WeakPolarHBondContact O-CB 3.44Å; K222-D226 VanDerWaalsContact O-CG 3.26Å; K222-D226 PolarHBondContact O-N 2.89Å; K222-L273 VanDerWaalsContact CA-CD2 3.48Å; K222-L273 HydrophobicContact CB-CD2 3.75Å; K222-L273 HydrophobicContact CG-CD2 4.45Å
223	S	80.4	Confident	79.2	Confident	49 Å²	49	64.2 Å²	64.2	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-39.6	178	-54.9	0	0	0	0	112.1	E219 T220 V227	E219-S223 PolarHBondContact O-N 3.44Å; E219-S223 PolarHBondContact O-OG 3.05Å; T220-S223 PolarHBondContact O-N 2.99Å; S223-V227 VanDerWaalsContact O-CG2 3.31Å; S223-V227 WeakPolarHBondContact O-CG2 3.23Å; S223-V227 PolarHBondContact O-N 2.94Å; S223-V227 VanDerWaalsContact O-N 3.11Å
224	I	81.7	Confident	78.8	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-66.4	-46	174.5	-65.8	165.4	0	0	0	111	L165 L205 R208 F209 T220 M221 K222 D226 V227 L228	L165-I224 HydrophobicContact CD2-CB 4.5Å; L165-I224 HydrophobicContact CD2-CG1 3.87Å; L205-I224 HydrophobicContact CB-CG2 4.12Å; L205-I224 HydrophobicContact CD2-CG1 4.11Å; L205-I224 HydrophobicContact CD2-CG2 4.14Å; R208-I224 HydrophobicContact CB-CD1 4.16Å; F209-I224 HydrophobicContact CB-CD1 4.37Å; F209-I224 HydrophobicContact CB-CG2 4.08Å; F209-I224 HydrophobicContact CD2-CB 4.17Å; F209-I224 HydrophobicContact CD2-CG2 3.98Å; F209-I224 HydrophobicContact CG-CG2 4.48Å; T220-I224 VanDerWaalsContact O-CG1 3.27Å; T220-I224 WeakPolarHBondContact O-CG1 3.48Å; T220-I224 PolarHBondContact O-N 3.06Å; M221-I224 PolarHBondContact O-N 3.47Å; K222-I224 VanDerWaalsContact C-N 3.3Å; K222-I224 PolarHBondContact O-N 3.5Å; I224-D226 VanDerWaalsContact C-N 3.32Å; I224-D226 PolarHBondContact O-N 3.4Å; I224-V227 PolarHBondContact O-N 3.06Å; I224-L228 HydrophobicContact CG2-CD1 3.85Å; I224-L228 HydrophobicContact CG2-CG 4.4Å; I224-L228 WeakPolarHBondContact O-CB 3.48Å; I224-L228 WeakPolarHBondContact O-CG 3.15Å; I224-L228 PolarHBondContact O-N 3.21Å
225	A	80.9	Confident	78.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-40.9	178.3	0	0	0	0	0	111.8	F209 M221 K222 L228 L229 Y234	F209-A225 HydrophobicContact CE2-CB 4.45Å; M221-A225 WeakPolarHBondContact O-CB 3.48Å; M221-A225 PolarHBondContact O-N 3.34Å; K222-A225 PolarHBondContact O-N 3.16Å; K222-A225 VanDerWaalsContact O-N 3.15Å; A225-L228 CarbonylContact O-C 3.6Å; A225-L228 PolarHBondContact O-N 3.13Å; A225-L228 VanDerWaalsContact O-N 3.17Å; A225-L229 PolarHBondContact O-N 3.48Å; A225-Y234 HydrophobicContact CB-CE2 4.27Å; A225-Y234 WeakPolarHBondContact O-CD2 3.13Å; A225-Y234 WeakPolarHBondContact O-CE2 3.42Å
226	D	80.5	Confident	78.8	Confident	80 Å²	80	61.9 Å²	61.9	43%	0.428	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-43.3	176.4	-71.8	-23.3	0	0	0	111.4	K222 I224 L228 L229	K222-D226 WeakPolarHBondContact O-CB 3.44Å; K222-D226 VanDerWaalsContact O-CG 3.26Å; K222-D226 PolarHBondContact O-N 2.89Å; I224-D226 VanDerWaalsContact C-N 3.32Å; I224-D226 PolarHBondContact O-N 3.4Å; D226-L228 VanDerWaalsContact C-N 3.28Å; D226-L228 PolarHBondContact O-N 3.29Å; D226-L229 VanDerWaalsContact O-CB 3.26Å; D226-L229 WeakPolarHBondContact O-CB 3.47Å; D226-L229 PolarHBondContact O-N 3.03Å
227	V	76	Confident	79	Confident	25 Å²	25	59.4 Å²	59.4	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-32.4	174.2	171.3	0	0	0	0	111.7	L165 A168 K172 L205 S223 I224	L165-V227 HydrophobicContact CD2-CB 4.46Å; L165-V227 HydrophobicContact CD2-CG2 3.88Å; A168-V227 HydrophobicContact CB-CG1 3.7Å; K172-V227 WeakPolarHBondContact CD-O 3.31Å; K172-V227 PolarHBondContact NZ-O 2.67Å; L205-V227 HydrophobicContact CD1-CG1 4Å; S223-V227 VanDerWaalsContact O-CG2 3.31Å; S223-V227 WeakPolarHBondContact O-CG2 3.23Å; S223-V227 PolarHBondContact O-N 2.94Å; S223-V227 VanDerWaalsContact O-N 3.11Å; I224-V227 PolarHBondContact O-N 3.06Å
228	L	79.7	Confident	79.1	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-83	-9.8	178.6	-67.7	177.6	0	0	0	113.9	K172 D202 L205 L206 I224 A225 D226 L230 S231 Y234 C237	K172-L228 VanDerWaalsContact NZ-CD2 3.3Å; D202-L228 HydrophobicContact CB-CD2 4.42Å; D202-L228 VanDerWaalsContact OD1-CD2 3.26Å; D202-L228 WeakPolarHBondContact OD1-CD2 3.35Å; L205-L228 HydrophobicContact CB-CD1 4.3Å; L205-L228 HydrophobicContact CB-CD2 4.47Å; L205-L228 HydrophobicContact CD1-CD2 3.88Å; L205-L228 HydrophobicContact CD1-CG 4.32Å; L206-L228 HydrophobicContact CD2-CD1 4.02Å; L206-L228 HydrophobicContact CG-CD1 4.38Å; I224-L228 HydrophobicContact CG2-CD1 3.85Å; I224-L228 HydrophobicContact CG2-CG 4.4Å; I224-L228 WeakPolarHBondContact O-CB 3.48Å; I224-L228 WeakPolarHBondContact O-CG 3.15Å; I224-L228 PolarHBondContact O-N 3.21Å; A225-L228 CarbonylContact O-C 3.6Å; A225-L228 PolarHBondContact O-N 3.13Å; A225-L228 VanDerWaalsContact O-N 3.17Å; D226-L228 VanDerWaalsContact C-N 3.28Å; D226-L228 PolarHBondContact O-N 3.29Å; L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 3.32Å; L228-L230 VanDerWaalsContact O-N 3.12Å; L228-S231 WeakPolarHBondContact O-CB 3.31Å; L228-S231 PolarHBondContact O-N 2.86Å; L228-S231 PolarHBondContact O-OG 3.13Å; L228-Y234 HydrophobicContact CB-CD2 4.49Å; L228-Y234 WeakPolarHBondContact O-CB 3.41Å; L228-C237 WeakPolarHBondContact CD1-SG 3Å
229	L	74.1	Confident	79.4	Confident	64 Å²	64	57.8 Å²	57.8	34%	0.335	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-41.2	-171.1	-174.4	60.8	0	0	0	115.3	A225 D226 Y234 L275	A225-L229 PolarHBondContact O-N 3.48Å; D226-L229 VanDerWaalsContact O-CB 3.26Å; D226-L229 WeakPolarHBondContact O-CB 3.47Å; D226-L229 PolarHBondContact O-N 3.03Å; L229-Y234 HydrophobicContact CB-CD2 4.45Å; L229-Y234 HydrophobicContact CB-CE2 4.49Å; L229-Y234 HydrophobicContact CD1-CD1 4.46Å; L229-Y234 HydrophobicContact CD1-CD2 4.14Å; L229-Y234 HydrophobicContact CD1-CE1 4.08Å; L229-Y234 HydrophobicContact CD1-CE2 3.73Å; L229-Y234 HydrophobicContact CD1-CG 4.46Å; L229-L275 HydrophobicContact CD1-CD1 3.47Å; L229-L275 VanDerWaalsContact CD1-CD1 3.47Å; L229-L275 HydrophobicContact CD1-CD2 3.97Å; L229-L275 HydrophobicContact CD1-CG 4.26Å; L229-L275 HydrophobicContact CD2-CD1 4.06Å; L229-L275 HydrophobicContact CD2-CD2 4.17Å; L229-L275 HydrophobicContact CG-CD1 4.42Å
230	L	68	Low	79.6	Confident	174 Å²	174	50.6 Å²	50.6	91%	0.911	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7	-179.5	-65.6	172	0	0	0	113.6	L228	L228-L230 VanDerWaalsContact C-N 3.32Å; L228-L230 PolarHBondContact O-N 3.32Å; L228-L230 VanDerWaalsContact O-N 3.12Å
231	S	69.8	Low	80.1	Confident	21 Å²	21	49.3 Å²	49.3	15%	0.147	25%	0.252	C	S	.	.	S	Bend	trans	-91.5	151	-178.5	69.1	0	0	0	0	111.7	K172 L228 N233 Y234	K172-S231 PolarHBondContact NZ-OG 3.24Å; L228-S231 WeakPolarHBondContact O-CB 3.31Å; L228-S231 PolarHBondContact O-N 2.86Å; L228-S231 PolarHBondContact O-OG 3.13Å; S231-N233 PolarHBondContact O-N 3.21Å; S231-N233 PolarHBondContact OG-N 3.12Å; S231-Y234 WeakPolarHBondContact O-CB 3.4Å; S231-Y234 PolarHBondContact O-N 3.46Å; S231-Y234 VanDerWaalsContact O-N 3.1Å
232	K	71.4	Confident	80.4	Confident	196 Å²	196	49.5 Å²	49.5	85%	0.852	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.5	169.1	-64.9	-176.2	179.8	-179.8	0	112.7	S235	K232-S235 PolarHBondContact O-OG 3.37Å
233	N	73.4	Confident	80.7	Confident	35 Å²	35	48.6 Å²	48.6	19%	0.187	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.7	-178.5	-60.2	-30.4	0	0	0	113.3	D202 L206 S231 S235 Q236 C237	D202-N233 WeakPolarHBondContact CB-ND2 2.87Å; D202-N233 PolarHBondContact OD2-ND2 2.94Å; L206-N233 HydrophobicContact CD1-CB 4.41Å; S231-N233 PolarHBondContact O-N 3.21Å; S231-N233 PolarHBondContact OG-N 3.12Å; N233-S235 PolarHBondContact O-N 3.03Å; N233-Q236 WeakPolarHBondContact O-CB 3.31Å; N233-Q236 PolarHBondContact O-N 3.3Å; N233-Q236 PolarHBondContact OD1-NE2 2.79Å; N233-Q236 PolarHBondContact OD1-OE1 3.32Å; N233-C237 PolarHBondContact O-N 3.49Å
234	Y	76.4	Confident	81.1	Confident	39 Å²	39	47.1 Å²	47.1	15%	0.153	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-37.7	173.2	-175.1	-109.4	0	0	0	112.5	A225 L228 L229 S231 Q236 C237 F274 L275	A225-Y234 HydrophobicContact CB-CE2 4.27Å; A225-Y234 WeakPolarHBondContact O-CD2 3.13Å; A225-Y234 WeakPolarHBondContact O-CE2 3.42Å; L228-Y234 HydrophobicContact CB-CD2 4.49Å; L228-Y234 WeakPolarHBondContact O-CB 3.41Å; L229-Y234 HydrophobicContact CB-CD2 4.45Å; L229-Y234 HydrophobicContact CB-CE2 4.49Å; L229-Y234 HydrophobicContact CD1-CD1 4.46Å; L229-Y234 HydrophobicContact CD1-CD2 4.14Å; L229-Y234 HydrophobicContact CD1-CE1 4.08Å; L229-Y234 HydrophobicContact CD1-CE2 3.73Å; L229-Y234 HydrophobicContact CD1-CG 4.46Å; S231-Y234 WeakPolarHBondContact O-CB 3.4Å; S231-Y234 PolarHBondContact O-N 3.46Å; S231-Y234 VanDerWaalsContact O-N 3.1Å; Y234-Q236 PolarHBondContact O-N 3.25Å; Y234-C237 WeakPolarHBondContact O-CB 3.47Å; Y234-C237 PolarHBondContact O-N 3.08Å; Y234-F274 HydrophobicContact CE1-CD1 4.03Å; Y234-F274 HydrophobicContact CE2-CD1 4.29Å; Y234-F274 AromaticContact CZ-CD1 3.69Å; Y234-F274 VanDerWaalsContact OH-CA 3.27Å; Y234-F274 WeakPolarHBondContact OH-CA 3.47Å; Y234-L275 PolarHBondContact OH-N 3.33Å; Y234-L275 VanDerWaalsContact OH-N 3.13Å
235	S	82.5	Confident	81.4	Confident	63 Å²	63	47.3 Å²	47.3	44%	0.441	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-28.2	175.8	61	0	0	0	0	112.6	K232 N233 C237 A238 E239	K232-S235 PolarHBondContact O-OG 3.37Å; N233-S235 PolarHBondContact O-N 3.03Å; S235-C237 VanDerWaalsContact C-N 3.31Å; S235-C237 PolarHBondContact O-N 3.21Å; S235-A238 WeakPolarHBondContact O-CB 3.35Å; S235-A238 PolarHBondContact O-N 3.03Å; S235-E239 WeakPolarHBondContact O-CG 3.34Å; S235-E239 PolarHBondContact O-N 3.26Å
236	Q	85.1	Confident	81.9	Confident	72 Å²	72	47.7 Å²	47.7	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-69.6	-29.3	177.4	-62.7	176.2	-6.9	0	0	111.6	L206 N233 Y234 A238 E239 I240	L206-Q236 HydrophobicContact CD1-CB 4.26Å; L206-Q236 HydrophobicContact CD2-CB 3.85Å; N233-Q236 WeakPolarHBondContact O-CB 3.31Å; N233-Q236 PolarHBondContact O-N 3.3Å; N233-Q236 PolarHBondContact OD1-NE2 2.79Å; N233-Q236 PolarHBondContact OD1-OE1 3.32Å; Y234-Q236 PolarHBondContact O-N 3.25Å; Q236-A238 VanDerWaalsContact C-N 3.33Å; Q236-E239 PolarHBondContact O-N 2.77Å; Q236-I240 WeakPolarHBondContact O-CB 3.48Å; Q236-I240 WeakPolarHBondContact O-CG1 2.98Å; Q236-I240 PolarHBondContact O-N 3.37Å
237	C	85.5	Confident	82.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-42.5	170.4	-65.2	0	0	0	0	111.7	F209 L228 N233 Y234 S235 I240 L241 F274	F209-C237 HydrophobicContact CD1-CB 4.38Å; F209-C237 HydrophobicContact CE1-CB 4.03Å; F209-C237 WeakPolarHBondContact CE1-O 3.46Å; F209-C237 HydrophobicContact CE2-CB 4.28Å; F209-C237 HydrophobicContact CZ-CB 3.97Å; L228-C237 WeakPolarHBondContact CD1-SG 3Å; N233-C237 PolarHBondContact O-N 3.49Å; Y234-C237 WeakPolarHBondContact O-CB 3.47Å; Y234-C237 PolarHBondContact O-N 3.08Å; S235-C237 VanDerWaalsContact C-N 3.31Å; S235-C237 PolarHBondContact O-N 3.21Å; C237-I240 PolarHBondContact O-N 3.43Å; C237-L241 PolarHBondContact O-N 3.01Å; C237-F274 HydrophobicContact CB-CE1 4.01Å; C237-F274 HydrophobicContact CB-CZ 4.16Å
238	A	86.6	Confident	82.7	Confident	6 Å²	6	52.2 Å²	52.2	5%	0.05	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-43.9	175.5	0	0	0	0	0	111	S235 Q236 I240 L241 V242 F274 V280	S235-A238 WeakPolarHBondContact O-CB 3.35Å; S235-A238 PolarHBondContact O-N 3.03Å; Q236-A238 VanDerWaalsContact C-N 3.33Å; A238-I240 PolarHBondContact O-N 3.46Å; A238-L241 PolarHBondContact O-N 3.36Å; A238-V242 WeakPolarHBondContact O-CB 3.27Å; A238-V242 VanDerWaalsContact O-CG2 3.24Å; A238-V242 WeakPolarHBondContact O-CG2 3.37Å; A238-V242 PolarHBondContact O-N 3Å; A238-F274 HydrophobicContact CB-CD1 4.46Å; A238-F274 HydrophobicContact CB-CE1 3.87Å; A238-F274 HydrophobicContact CB-CZ 4.12Å; A238-V280 HydrophobicContact CB-CB 4.48Å; A238-V280 HydrophobicContact CB-CG1 3.95Å; A238-V280 HydrophobicContact CB-CG2 3.78Å
239	E	87.4	Confident	83	Confident	96 Å²	96	53 Å²	53	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-44.1	175.2	-71.8	169.4	-165.8	0	0	112.6	S235 Q236 V242 E243	S235-E239 WeakPolarHBondContact O-CG 3.34Å; S235-E239 PolarHBondContact O-N 3.26Å; Q236-E239 PolarHBondContact O-N 2.77Å; E239-V242 PolarHBondContact O-N 3.11Å; E239-E243 VanDerWaalsContact O-CB 3.27Å; E239-E243 WeakPolarHBondContact O-CB 3.35Å; E239-E243 PolarHBondContact O-N 3.23Å
240	I	87.3	Confident	83.6	Confident	13 Å²	13	54.2 Å²	54.2	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-46.1	177.1	-69.4	166.4	0	0	0	110.7	L206 F209 R210 Q236 C237 A238 V242 E243 E244	L206-I240 HydrophobicContact CB-CD1 3.97Å; L206-I240 HydrophobicContact CD2-CD1 3.81Å; L206-I240 HydrophobicContact CG-CD1 4.47Å; F209-I240 HydrophobicContact CD1-CB 4.33Å; F209-I240 HydrophobicContact CD1-CG2 4.04Å; F209-I240 HydrophobicContact CE1-CG2 4.44Å; R210-I240 HydrophobicContact CB-CG2 3.86Å; R210-I240 HydrophobicContact CG-CG2 3.97Å; Q236-I240 WeakPolarHBondContact O-CB 3.48Å; Q236-I240 WeakPolarHBondContact O-CG1 2.98Å; Q236-I240 PolarHBondContact O-N 3.37Å; C237-I240 PolarHBondContact O-N 3.43Å; A238-I240 PolarHBondContact O-N 3.46Å; I240-V242 VanDerWaalsContact C-N 3.33Å; I240-V242 PolarHBondContact O-N 3.28Å; I240-E243 PolarHBondContact O-N 3.01Å; I240-E244 HydrophobicContact CG2-CG 4.28Å; I240-E244 WeakPolarHBondContact O-CB 3.31Å; I240-E244 WeakPolarHBondContact O-CG 3.38Å; I240-E244 PolarHBondContact O-N 2.92Å
241	L	89.2	Confident	84.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-47.2	176.9	-174.7	156.1	0	0	0	110.4	F213 C237 A238 E243 T245 L269 I270 L273 F274	F213-L241 HydrophobicContact CD2-CG 4.39Å; F213-L241 HydrophobicContact CE2-CD1 4.33Å; F213-L241 HydrophobicContact CE2-CG 3.87Å; C237-L241 PolarHBondContact O-N 3.01Å; A238-L241 PolarHBondContact O-N 3.36Å; L241-E243 PolarHBondContact O-N 3.35Å; L241-T245 VanDerWaalsContact O-CB 3.27Å; L241-T245 WeakPolarHBondContact O-CB 3.42Å; L241-T245 PolarHBondContact O-N 2.86Å; L241-T245 PolarHBondContact O-OG1 3.39Å; L241-L269 HydrophobicContact CD1-CD2 4.11Å; L241-L269 HydrophobicContact CD1-CG 4.36Å; L241-I270 HydrophobicContact CD1-CG1 4.16Å; L241-I270 HydrophobicContact CD2-CD1 4.13Å; L241-I270 HydrophobicContact CD2-CG1 4Å; L241-L273 HydrophobicContact CD1-CD1 4.04Å; L241-F274 HydrophobicContact CD1-CE2 3.86Å
242	V	89.9	Confident	84.9	Confident	6 Å²	6	51.4 Å²	51.4	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-59.4	-47.7	177.8	169.8	0	0	0	0	111	A238 E239 I240 V246 Q283 L284	A238-V242 WeakPolarHBondContact O-CB 3.27Å; A238-V242 VanDerWaalsContact O-CG2 3.24Å; A238-V242 WeakPolarHBondContact O-CG2 3.37Å; A238-V242 PolarHBondContact O-N 3Å; E239-V242 PolarHBondContact O-N 3.11Å; I240-V242 VanDerWaalsContact C-N 3.33Å; I240-V242 PolarHBondContact O-N 3.28Å; V242-V246 HydrophobicContact CG1-CG2 4.39Å; V242-V246 VanDerWaalsContact O-CB 3.23Å; V242-V246 WeakPolarHBondContact O-CB 3.09Å; V242-V246 WeakPolarHBondContact O-CG2 3.36Å; V242-V246 PolarHBondContact O-N 2.83Å; V242-Q283 HydrophobicContact CG2-CB 4.32Å; V242-Q283 HydrophobicContact CG2-CG 4.16Å; V242-L284 HydrophobicContact CG1-CD1 4.28Å; V242-L284 HydrophobicContact CG2-CB 3.99Å
243	E	89.6	Confident	85.4	Confident	79 Å²	79	50.8 Å²	50.8	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-50.2	-179	-167.6	-161.4	160.2	0	0	111.5	R210 E239 I240 L241 V246 K247	R210-E243 IonicContact CZ-OE2 3.47Å; R210-E243 IonicContact NH1-OE1 2.76Å; R210-E243 PolarHBondContact NH1-OE1 2.91Å; R210-E243 IonicContact NH1-OE2 3.51Å; R210-E243 PolarHBondContact NH1-OE2 3.46Å; R210-E243 IonicContact NH2-OE2 3.52Å; R210-E243 PolarHBondContact NH2-OE2 3.24Å; E239-E243 VanDerWaalsContact O-CB 3.27Å; E239-E243 WeakPolarHBondContact O-CB 3.35Å; E239-E243 PolarHBondContact O-N 3.23Å; I240-E243 PolarHBondContact O-N 3.01Å; L241-E243 PolarHBondContact O-N 3.35Å; E243-V246 PolarHBondContact O-N 3.47Å; E243-K247 WeakPolarHBondContact O-CB 3.26Å; E243-K247 VanDerWaalsContact O-CG 3.29Å; E243-K247 WeakPolarHBondContact O-CG 3.41Å; E243-K247 PolarHBondContact O-N 3.19Å; E243-K247 WeakPolarHBondContact OE1-CE 3.4Å; E243-K247 IonicContact OE1-NZ 3.79Å; E243-K247 PolarHBondContact OE1-NZ 2.83Å
244	E	88	Confident	86	Confident	18 Å²	18	50.2 Å²	50.2	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-69.6	-41.4	-178	-67.8	-57.2	139.1	0	0	112.1	R210 F213 I240 V246 K247 T248	R210-E244 HydrophobicContact CG-CG 4.13Å; R210-E244 IonicContact CZ-OE1 2.6Å; R210-E244 IonicContact NH1-OE1 3.11Å; R210-E244 PolarHBondContact NH1-OE1 3.11Å; F213-E244 HydrophobicContact CD1-CB 3.52Å; F213-E244 HydrophobicContact CD1-CG 4.12Å; F213-E244 HydrophobicContact CE1-CB 3.33Å; F213-E244 HydrophobicContact CE1-CG 4.41Å; F213-E244 HydrophobicContact CZ-CB 4.25Å; I240-E244 HydrophobicContact CG2-CG 4.28Å; I240-E244 WeakPolarHBondContact O-CB 3.31Å; I240-E244 WeakPolarHBondContact O-CG 3.38Å; I240-E244 PolarHBondContact O-N 2.92Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 3.41Å; E244-K247 WeakPolarHBondContact O-CB 2.93Å; E244-K247 PolarHBondContact O-N 3.43Å; E244-K247 IonicContact OE1-NZ 3.97Å; E244-K247 PolarHBondContact OE1-NZ 2.88Å; E244-T248 WeakPolarHBondContact O-CG2 3.22Å; E244-T248 PolarHBondContact O-N 3.38Å
245	T	88.9	Confident	86.6	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-46.5	173.4	-62.8	0	0	0	0	110.8	F213 L241 K247 T248 S266 L284	F213-T245 WeakPolarHBondContact CZ-OG1 3.46Å; L241-T245 VanDerWaalsContact O-CB 3.27Å; L241-T245 WeakPolarHBondContact O-CB 3.42Å; L241-T245 PolarHBondContact O-N 2.86Å; L241-T245 PolarHBondContact O-OG1 3.39Å; T245-K247 VanDerWaalsContact C-N 3.33Å; T245-K247 PolarHBondContact O-N 3.01Å; T245-T248 PolarHBondContact O-N 3.43Å; T245-T248 PolarHBondContact O-OG1 2.93Å; T245-S266 WeakPolarHBondContact CG2-OG 3.32Å; T245-L284 HydrophobicContact CG2-CD1 3.79Å; T245-L284 HydrophobicContact CG2-CD2 4.12Å
246	V	90.3	Very high	86.9	Confident	8 Å²	8	49.3 Å²	49.3	5%	0.048	25%	0.25	C	C	.	.	H	α-helix	trans	-65.9	-34.9	179.3	169.1	0	0	0	0	111.6	V242 E243 E244 T248 I249 L284 T291 K292	V242-V246 HydrophobicContact CG1-CG2 4.39Å; V242-V246 VanDerWaalsContact O-CB 3.23Å; V242-V246 WeakPolarHBondContact O-CB 3.09Å; V242-V246 WeakPolarHBondContact O-CG2 3.36Å; V242-V246 PolarHBondContact O-N 2.83Å; E243-V246 PolarHBondContact O-N 3.47Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 3.41Å; V246-T248 VanDerWaalsContact C-N 3.26Å; V246-T248 PolarHBondContact O-N 3.47Å; V246-I249 PolarHBondContact O-N 2.86Å; V246-I249 VanDerWaalsContact O-N 3.14Å; V246-L284 HydrophobicContact CG2-CD1 3.71Å; V246-T291 WeakPolarHBondContact CG1-OG1 3.14Å; V246-K292 HydrophobicContact CG1-CD 4.17Å; V246-K292 HydrophobicContact CG1-CG 3.68Å; V246-K292 WeakPolarHBondContact O-CE 3.26Å; V246-K292 PolarHBondContact O-NZ 3.35Å; V246-K292 VanDerWaalsContact O-NZ 3.12Å
247	K	88.2	Confident	87.1	Confident	100 Å²	100	52.7 Å²	52.7	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-34.6	175	-82.1	172.7	-175.1	168.3	0	113.2	E243 E244 T245 I249	E243-K247 WeakPolarHBondContact O-CB 3.26Å; E243-K247 VanDerWaalsContact O-CG 3.29Å; E243-K247 WeakPolarHBondContact O-CG 3.41Å; E243-K247 PolarHBondContact O-N 3.19Å; E243-K247 WeakPolarHBondContact OE1-CE 3.4Å; E243-K247 IonicContact OE1-NZ 3.79Å; E243-K247 PolarHBondContact OE1-NZ 2.83Å; E244-K247 WeakPolarHBondContact O-CB 2.93Å; E244-K247 PolarHBondContact O-N 3.43Å; E244-K247 IonicContact OE1-NZ 3.97Å; E244-K247 PolarHBondContact OE1-NZ 2.88Å; T245-K247 VanDerWaalsContact C-N 3.33Å; T245-K247 PolarHBondContact O-N 3.01Å; K247-I249 PolarHBondContact O-N 3.22Å; K247-I249 VanDerWaalsContact O-N 3.17Å
248	T	85.6	Confident	87.3	Confident	100 Å²	100	57.1 Å²	57.1	61%	0.613	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.3	178.6	71.3	0	0	0	0	113.5	E244 T245 V246	E244-T248 WeakPolarHBondContact O-CG2 3.22Å; E244-T248 PolarHBondContact O-N 3.38Å; T245-T248 PolarHBondContact O-N 3.43Å; T245-T248 PolarHBondContact O-OG1 2.93Å; V246-T248 VanDerWaalsContact C-N 3.26Å; V246-T248 PolarHBondContact O-N 3.47Å
249	I	86.6	Confident	87.5	Confident	18 Å²	18	57 Å²	57	9%	0.092	29%	0.286	C	S	.	.	S	Bend	trans	-91.8	116.7	-177.8	-60.1	168.6	0	0	0	109.3	V246 K247 I259 L288 K292	V246-I249 PolarHBondContact O-N 2.86Å; V246-I249 VanDerWaalsContact O-N 3.14Å; K247-I249 PolarHBondContact O-N 3.22Å; K247-I249 VanDerWaalsContact O-N 3.17Å; I249-I259 HydrophobicContact CD1-CG1 4.29Å; I249-I259 HydrophobicContact CG2-CD1 4.29Å; I249-I259 HydrophobicContact CG2-CG1 4.32Å; I249-L288 HydrophobicContact CD1-CD1 3.47Å; I249-L288 VanDerWaalsContact CD1-CD1 3.47Å; I249-L288 HydrophobicContact CG2-CD1 4.46Å; I249-K292 HydrophobicContact CB-CG 4.47Å; I249-K292 HydrophobicContact CG2-CB 4.39Å; I249-K292 HydrophobicContact CG2-CG 4.4Å; I249-K292 WeakPolarHBondContact O-CD 3.49Å; I249-K292 WeakPolarHBondContact O-CE 3.33Å; I249-K292 PolarHBondContact O-NZ 3.31Å
250	N	85.7	Confident	87.7	Confident	88 Å²	88	52.8 Å²	52.8	47%	0.471	27%	0.266	S	S	.	.			trans	-83	119.1	175.8	-174.9	-12.7	0	0	0	110.5	N252 K253 I254	N250-N252 PolarHBondContact O-N 3.36Å; N250-N252 PolarHBondContact OD1-N 3.01Å; N250-K253 CarbonylContact O-C 3.5Å; N250-K253 PolarHBondContact O-N 3.41Å; N250-I254 WeakPolarHBondContact O-CG1 3.24Å
251	P	82.8	Confident	87.9	Confident	25 Å²	25	58.9 Å²	58.9	16%	0.162	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.1	-179.8	28.4	-35.6	0	0	0	113.9	K292 V295 Y296	P251-K292 HydrophobicContact CB-CD 4.38Å; P251-K292 HydrophobicContact CG-CD 4.45Å; P251-V295 HydrophobicContact CB-CB 4.2Å; P251-V295 HydrophobicContact CB-CG1 4Å; P251-V295 HydrophobicContact CG-CG1 4.35Å; P251-Y296 WeakPolarHBondContact O-CB 3.13Å; P251-Y296 WeakPolarHBondContact O-CD2 3.23Å
252	N	82.8	Confident	87.9	Confident	112 Å²	112	60 Å²	60	60%	0.599	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-16.4	-178.2	-65.4	-21.5	0	0	0	113.6	N250 N299	N250-N252 PolarHBondContact O-N 3.36Å; N250-N252 PolarHBondContact OD1-N 3.01Å; N252-N299 PolarHBondContact OD1-ND2 3.21Å; N252-N299 VanDerWaalsContact OD1-ND2 3.11Å
253	K	82.5	Confident	88	Confident	182 Å²	182	59.8 Å²	59.8	79%	0.791	30%	0.299	S	S	*	.	S	Bend	trans	-144.2	75.4	-179.1	-168.9	178.2	-179.7	-180	0	109.3	N250	N250-K253 CarbonylContact O-C 3.5Å; N250-K253 PolarHBondContact O-N 3.41Å
254	I	85.4	Confident	88.1	Confident	23 Å²	23	57.4 Å²	57.4	12%	0.118	29%	0.289	C	S	.	.			trans	-82	128.5	179.2	-66.4	-167.2	0	0	0	110.2	N250 F256 I259 L293 Y296	N250-I254 WeakPolarHBondContact O-CG1 3.24Å; I254-F256 HydrophobicContact CG2-CD1 4.19Å; I254-F256 HydrophobicContact CG2-CE1 4.15Å; I254-F256 HydrophobicContact CG2-CZ 4.43Å; I254-I259 HydrophobicContact CD1-CD1 4.44Å; I254-I259 HydrophobicContact CG2-CD1 3.41Å; I254-I259 VanDerWaalsContact CG2-CD1 3.41Å; I254-I259 HydrophobicContact CG2-CG1 4.32Å; I254-L293 HydrophobicContact CD1-CD2 3.75Å; I254-Y296 HydrophobicContact CB-CD2 4.03Å; I254-Y296 HydrophobicContact CB-CE2 4.08Å; I254-Y296 HydrophobicContact CB-CG 4.42Å; I254-Y296 VanDerWaalsContact CD1-CB 3.45Å; I254-Y296 HydrophobicContact CD1-CD1 4.16Å; I254-Y296 HydrophobicContact CD1-CD2 3.89Å; I254-Y296 HydrophobicContact CD1-CG 3.57Å; I254-Y296 HydrophobicContact CG1-CD2 3.85Å; I254-Y296 HydrophobicContact CG1-CE2 4.41Å; I254-Y296 HydrophobicContact CG1-CG 4.07Å
255	S	88	Confident	88.2	Confident	47 Å²	47	59.9 Å²	59.9	33%	0.329	31%	0.309	S	S	.	.			trans	-109.6	110.8	164.9	168.6	0	0	0	0	107.8	K257 D258 I259	S255-K257 PolarHBondContact O-N 3.45Å; S255-D258 WeakPolarHBondContact CB-OD2 3.34Å; S255-D258 PolarHBondContact O-N 3.5Å; S255-D258 PolarHBondContact OG-N 3.14Å; S255-D258 PolarHBondContact OG-OD2 3.14Å; S255-I259 PolarHBondContact O-N 2.95Å
256	F	89.8	Confident	88.2	Confident	36 Å²	36	60 Å²	60	16%	0.158	31%	0.31	C	S	.	.	H	α-helix	trans	-58.6	-36.6	-177.8	-68.4	-68.4	0	0	0	112.5	I254 D258 I259 T260 L293 Y296 N320 V321 L324	I254-F256 HydrophobicContact CG2-CD1 4.19Å; I254-F256 HydrophobicContact CG2-CE1 4.15Å; I254-F256 HydrophobicContact CG2-CZ 4.43Å; F256-D258 VanDerWaalsContact C-N 3.33Å; F256-D258 PolarHBondContact O-N 3.2Å; F256-I259 WeakPolarHBondContact O-CB 3.22Å; F256-I259 PolarHBondContact O-N 2.76Å; F256-T260 PolarHBondContact O-N 2.84Å; F256-T260 PolarHBondContact O-OG1 2.82Å; F256-T260 VanDerWaalsContact O-OG1 3.1Å; F256-L293 HydrophobicContact CE1-CD2 4.36Å; F256-Y296 HydrophobicContact CZ-CE1 4.07Å; F256-N320 HydrophobicContact CD2-CB 4.18Å; F256-N320 HydrophobicContact CE2-CB 3.56Å; F256-N320 HydrophobicContact CZ-CB 3.89Å; F256-V321 HydrophobicContact CE1-CG2 4.05Å; F256-V321 HydrophobicContact CZ-CG2 4.13Å; F256-L324 HydrophobicContact CB-CD1 4.24Å; F256-L324 HydrophobicContact CD1-CB 4.01Å; F256-L324 HydrophobicContact CD1-CD1 4.17Å; F256-L324 HydrophobicContact CD1-CD2 3.82Å; F256-L324 HydrophobicContact CD1-CG 4.19Å; F256-L324 HydrophobicContact CE1-CD2 4.19Å
257	K	88.9	Confident	88.3	Confident	143 Å²	143	59.9 Å²	59.9	62%	0.622	31%	0.309	S	S	*	.	H	α-helix	trans	-64.3	-36.7	175.4	-69.6	-174.3	175.4	-176.6	0	113	S255 T260 K261	S255-K257 PolarHBondContact O-N 3.45Å; K257-T260 PolarHBondContact O-N 2.74Å; K257-K261 WeakPolarHBondContact O-CG 3.42Å; K257-K261 PolarHBondContact O-N 3.17Å
258	D	89.7	Confident	88.4	Confident	93 Å²	93	62 Å²	62	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-75.4	-32.9	179.5	-60.9	-33.9	0	0	0	110.9	S255 F256 C262	S255-D258 WeakPolarHBondContact CB-OD2 3.34Å; S255-D258 PolarHBondContact O-N 3.5Å; S255-D258 PolarHBondContact OG-N 3.14Å; S255-D258 PolarHBondContact OG-OD2 3.14Å; F256-D258 VanDerWaalsContact C-N 3.33Å; F256-D258 PolarHBondContact O-N 3.2Å; D258-C262 WeakPolarHBondContact O-CB 3.32Å; D258-C262 PolarHBondContact O-N 3.26Å
259	I	91.4	Very high	88.5	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-50.8	168.2	-69.2	-177.6	0	0	0	110.4	I249 I254 S255 F256 K261 C262 L263 L288 L293 L324	I249-I259 HydrophobicContact CD1-CG1 4.29Å; I249-I259 HydrophobicContact CG2-CD1 4.29Å; I249-I259 HydrophobicContact CG2-CG1 4.32Å; I254-I259 HydrophobicContact CD1-CD1 4.44Å; I254-I259 HydrophobicContact CG2-CD1 3.41Å; I254-I259 VanDerWaalsContact CG2-CD1 3.41Å; I254-I259 HydrophobicContact CG2-CG1 4.32Å; S255-I259 PolarHBondContact O-N 2.95Å; F256-I259 WeakPolarHBondContact O-CB 3.22Å; F256-I259 PolarHBondContact O-N 2.76Å; I259-K261 PolarHBondContact O-N 3.48Å; I259-C262 WeakPolarHBondContact O-CB 3.48Å; I259-C262 PolarHBondContact O-N 2.91Å; I259-L263 HydrophobicContact CG2-CD1 3.82Å; I259-L263 HydrophobicContact CG2-CG 4.35Å; I259-L263 WeakPolarHBondContact O-CG 3.39Å; I259-L263 PolarHBondContact O-N 3.44Å; I259-L288 HydrophobicContact CD1-CD1 4.48Å; I259-L288 HydrophobicContact CG2-CD2 3.71Å; I259-L293 HydrophobicContact CD1-CD2 4.11Å; I259-L324 HydrophobicContact CB-CD1 4.48Å; I259-L324 HydrophobicContact CG2-CD1 4.16Å
260	T	91.1	Very high	88.6	Confident	6 Å²	6	57.9 Å²	57.9	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-56	-50.1	178.5	-55.2	0	0	0	0	111.3	F256 K257 C262 L263 V264 E327 L328 E331	F256-T260 PolarHBondContact O-N 2.84Å; F256-T260 PolarHBondContact O-OG1 2.82Å; F256-T260 VanDerWaalsContact O-OG1 3.1Å; K257-T260 PolarHBondContact O-N 2.74Å; T260-C262 VanDerWaalsContact C-N 3.34Å; T260-C262 PolarHBondContact O-N 3.22Å; T260-L263 PolarHBondContact O-N 2.67Å; T260-V264 WeakPolarHBondContact O-CG2 3.36Å; T260-V264 PolarHBondContact O-N 3.33Å; T260-E327 HydrophobicContact CG2-CG 3.91Å; T260-L328 HydrophobicContact CG2-CD2 4.07Å; T260-E331 HydrophobicContact CG2-CB 4.47Å; T260-E331 HydrophobicContact CG2-CG 4.3Å
261	K	91.1	Very high	88.7	Confident	141 Å²	141	57.8 Å²	57.8	61%	0.613	29%	0.29	S	S	*	.	H	α-helix	trans	-59.6	-43.3	177.5	-72.2	173	-177.5	175.2	0	112.7	K257 I259 L263 V264 S265	K257-K261 WeakPolarHBondContact O-CG 3.42Å; K257-K261 PolarHBondContact O-N 3.17Å; I259-K261 PolarHBondContact O-N 3.48Å; K261-L263 VanDerWaalsContact C-N 3.35Å; K261-V264 PolarHBondContact O-N 2.92Å; K261-S265 PolarHBondContact O-N 3.5Å; K261-S265 PolarHBondContact O-OG 2.89Å
262	C	90.4	Very high	88.8	Confident	25 Å²	25	59.8 Å²	59.8	17%	0.169	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-41.4	178.6	177.9	0	0	0	0	111.6	D258 I259 T260 S265 S266	D258-C262 WeakPolarHBondContact O-CB 3.32Å; D258-C262 PolarHBondContact O-N 3.26Å; I259-C262 WeakPolarHBondContact O-CB 3.48Å; I259-C262 PolarHBondContact O-N 2.91Å; T260-C262 VanDerWaalsContact C-N 3.34Å; T260-C262 PolarHBondContact O-N 3.22Å; C262-S265 PolarHBondContact O-OG 2.94Å; C262-S266 VanDerWaalsContact O-CB 3.23Å; C262-S266 WeakPolarHBondContact O-CB 3.13Å; C262-S266 PolarHBondContact O-N 3.39Å; C262-S266 PolarHBondContact O-OG 3.33Å
263	L	91.6	Very high	88.9	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-70.2	-41	177.9	-70.8	172.8	0	0	0	112	I259 T260 K261 S266 E267 L284 M285 L288 L328 L332	I259-L263 HydrophobicContact CG2-CD1 3.82Å; I259-L263 HydrophobicContact CG2-CG 4.35Å; I259-L263 WeakPolarHBondContact O-CG 3.39Å; I259-L263 PolarHBondContact O-N 3.44Å; T260-L263 PolarHBondContact O-N 2.67Å; K261-L263 VanDerWaalsContact C-N 3.35Å; L263-S266 CarbonylContact O-C 3.38Å; L263-S266 PolarHBondContact O-N 2.72Å; L263-E267 WeakPolarHBondContact O-CB 3.45Å; L263-E267 PolarHBondContact O-N 2.78Å; L263-L284 HydrophobicContact CD2-CD2 3.72Å; L263-L284 HydrophobicContact CD2-CG 3.9Å; L263-M285 HydrophobicContact CD1-CE 4.14Å; L263-M285 HydrophobicContact CD1-SD 3.46Å; L263-M285 WeakPolarHBondContact CD1-SD 3.45Å; L263-M285 HydrophobicContact CD2-SD 3.81Å; L263-M285 HydrophobicContact CG-SD 4.23Å; L263-L288 HydrophobicContact CD1-CD2 3.76Å; L263-L288 HydrophobicContact CD2-CD2 4.3Å; L263-L288 HydrophobicContact CG-CD2 4.38Å; L263-L328 HydrophobicContact CB-CD2 4.24Å; L263-L328 HydrophobicContact CD1-CD1 3.75Å; L263-L328 HydrophobicContact CD1-CD2 3.53Å; L263-L328 HydrophobicContact CD1-CG 4.33Å; L263-L332 HydrophobicContact CB-CD2 4.3Å
264	V	91.6	Very high	89	Confident	28 Å²	28	46.5 Å²	46.5	17%	0.17	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-39.9	175.8	171.7	0	0	0	0	111.6	T260 K261 K268 E331 L332	T260-V264 WeakPolarHBondContact O-CG2 3.36Å; T260-V264 PolarHBondContact O-N 3.33Å; K261-V264 PolarHBondContact O-N 2.92Å; V264-K268 WeakPolarHBondContact O-CG 3.37Å; V264-K268 PolarHBondContact O-N 3.07Å; V264-E331 HydrophobicContact CG2-CB 3.92Å; V264-L332 HydrophobicContact CG2-CD2 3.97Å
265	S	89.2	Confident	88.7	Confident	70 Å²	70	51.1 Å²	51.1	49%	0.49	26%	0.263	S	S	.	.	H	α-helix	trans	-68.7	-37.9	174.2	63.9	0	0	0	0	111.8	K261 C262 K268 L269	K261-S265 PolarHBondContact O-N 3.5Å; K261-S265 PolarHBondContact O-OG 2.89Å; C262-S265 PolarHBondContact O-OG 2.94Å; S265-K268 PolarHBondContact O-N 2.96Å; S265-L269 PolarHBondContact O-N 3.48Å
266	S	89.8	Confident	88.5	Confident	8 Å²	8	57.8 Å²	57.8	6%	0.056	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-37.8	176.4	-60.1	0	0	0	0	112.3	T245 C262 L263 K268 L269 I270	T245-S266 WeakPolarHBondContact CG2-OG 3.32Å; C262-S266 VanDerWaalsContact O-CB 3.23Å; C262-S266 WeakPolarHBondContact O-CB 3.13Å; C262-S266 PolarHBondContact O-N 3.39Å; C262-S266 PolarHBondContact O-OG 3.33Å; L263-S266 CarbonylContact O-C 3.38Å; L263-S266 PolarHBondContact O-N 2.72Å; S266-K268 PolarHBondContact O-N 3.02Å; S266-L269 WeakPolarHBondContact O-CB 3.16Å; S266-L269 PolarHBondContact O-N 2.86Å; S266-L269 VanDerWaalsContact O-N 3.17Å; S266-I270 WeakPolarHBondContact O-CB 3.43Å; S266-I270 WeakPolarHBondContact O-CD1 3.3Å; S266-I270 WeakPolarHBondContact O-CG1 3.43Å; S266-I270 PolarHBondContact O-N 3.12Å
267	E	91.6	Very high	88.3	Confident	7 Å²	7	57 Å²	57	3%	0.033	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-46.6	175.2	178.9	-176.9	-151.4	0	0	111.2	L263 L269 I270 M271 L281 L332 T333 L334	L263-E267 WeakPolarHBondContact O-CB 3.45Å; L263-E267 PolarHBondContact O-N 2.78Å; E267-L269 VanDerWaalsContact C-N 3.26Å; E267-L269 PolarHBondContact O-N 3.49Å; E267-I270 PolarHBondContact O-N 3.38Å; E267-M271 WeakPolarHBondContact O-CB 3.47Å; E267-M271 VanDerWaalsContact O-CG 3.3Å; E267-M271 WeakPolarHBondContact O-CG 3.44Å; E267-M271 PolarHBondContact O-N 3.31Å; E267-L281 HydrophobicContact CG-CD2 4.34Å; E267-L332 HydrophobicContact CB-CD2 4.11Å; E267-L332 WeakPolarHBondContact OE2-CD2 3.31Å; E267-T333 WeakPolarHBondContact OE1-CA 3.33Å; E267-T333 PolarHBondContact OE1-N 3.18Å; E267-T333 PolarHBondContact OE1-OG1 3Å; E267-T333 PolarHBondContact OE2-N 2.92Å; E267-L334 HydrophobicContact CG-CD1 3.88Å; E267-L334 HydrophobicContact CG-CG 4.12Å; E267-L334 WeakPolarHBondContact OE1-CB 3.25Å; E267-L334 WeakPolarHBondContact OE1-CG 3.38Å; E267-L334 PolarHBondContact OE1-N 3.49Å
268	K	90	Very high	88.2	Confident	144 Å²	144	54.1 Å²	54.1	63%	0.626	27%	0.271	S	S	*	.	H	α-helix	trans	-60.5	-36.3	176.2	-67.7	174.5	-176.8	178.3	0	112.3	V264 S265 S266 T272	V264-K268 WeakPolarHBondContact O-CG 3.37Å; V264-K268 PolarHBondContact O-N 3.07Å; S265-K268 PolarHBondContact O-N 2.96Å; S266-K268 PolarHBondContact O-N 3.02Å; K268-T272 WeakPolarHBondContact O-CG2 3.4Å
269	L	88.1	Confident	88.1	Confident	32 Å²	32	52.3 Å²	52.3	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-72.8	-42.3	175.8	-177.4	63.8	0	0	0	111.8	F213 V218 L241 S265 S266 E267 M271 T272 L273	F213-L269 HydrophobicContact CD2-CD2 4.2Å; F213-L269 HydrophobicContact CE2-CD2 3.75Å; V218-L269 HydrophobicContact CB-CD1 4.28Å; V218-L269 HydrophobicContact CG1-CD1 3.73Å; V218-L269 HydrophobicContact CG2-CD1 3.67Å; L241-L269 HydrophobicContact CD1-CD2 4.11Å; L241-L269 HydrophobicContact CD1-CG 4.36Å; S265-L269 PolarHBondContact O-N 3.48Å; S266-L269 WeakPolarHBondContact O-CB 3.16Å; S266-L269 PolarHBondContact O-N 2.86Å; S266-L269 VanDerWaalsContact O-N 3.17Å; E267-L269 VanDerWaalsContact C-N 3.26Å; E267-L269 PolarHBondContact O-N 3.49Å; L269-M271 VanDerWaalsContact C-N 3.27Å; L269-M271 PolarHBondContact O-N 2.88Å; L269-T272 PolarHBondContact O-N 2.89Å; L269-T272 PolarHBondContact O-OG1 2.82Å; L269-L273 HydrophobicContact CD1-CD1 3.83Å; L269-L273 HydrophobicContact CD1-CG 4.31Å; L269-L273 HydrophobicContact CG-CD1 3.81Å; L269-L273 VanDerWaalsContact O-CG 3.31Å; L269-L273 WeakPolarHBondContact O-CG 3.41Å; L269-L273 PolarHBondContact O-N 3.42Å
270	I	89.5	Confident	88	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-39.6	178.7	-71.8	164	0	0	0	110.4	L241 S266 E267 T272 L273 F274 P277 V280 L281 L284	L241-I270 HydrophobicContact CD1-CG1 4.16Å; L241-I270 HydrophobicContact CD2-CD1 4.13Å; L241-I270 HydrophobicContact CD2-CG1 4Å; S266-I270 WeakPolarHBondContact O-CB 3.43Å; S266-I270 WeakPolarHBondContact O-CD1 3.3Å; S266-I270 WeakPolarHBondContact O-CG1 3.43Å; S266-I270 PolarHBondContact O-N 3.12Å; E267-I270 PolarHBondContact O-N 3.38Å; I270-T272 VanDerWaalsContact C-N 3.27Å; I270-T272 PolarHBondContact O-N 2.76Å; I270-L273 PolarHBondContact O-N 3.5Å; I270-F274 HydrophobicContact CG2-CD2 4.17Å; I270-F274 PolarHBondContact O-N 2.67Å; I270-P277 HydrophobicContact CG2-CB 3.7Å; I270-P277 WeakPolarHBondContact CG2-O 3.25Å; I270-V280 HydrophobicContact CD1-CG1 4.05Å; I270-V280 HydrophobicContact CG1-CG1 4.05Å; I270-V280 HydrophobicContact CG2-CB 3.9Å; I270-V280 HydrophobicContact CG2-CG1 4.11Å; I270-L281 HydrophobicContact CD1-CB 4.34Å; I270-L281 HydrophobicContact CD1-CD1 4.25Å; I270-L284 HydrophobicContact CD1-CD2 4.19Å
271	M	87.3	Confident	88	Confident	85 Å²	85	52.2 Å²	52.2	42%	0.419	27%	0.265	S	S	.	.	H	α-helix	trans	-56.5	-34.7	175.1	-86.3	-71.2	178.3	0	0	114.9	E267 L269 P277 L334	E267-M271 WeakPolarHBondContact O-CB 3.47Å; E267-M271 VanDerWaalsContact O-CG 3.3Å; E267-M271 WeakPolarHBondContact O-CG 3.44Å; E267-M271 PolarHBondContact O-N 3.31Å; L269-M271 VanDerWaalsContact C-N 3.27Å; L269-M271 PolarHBondContact O-N 2.88Å; M271-P277 HydrophobicContact CE-CB 4.38Å; M271-P277 HydrophobicContact CE-CG 4.15Å; M271-P277 HydrophobicContact SD-CB 4.2Å; M271-P277 HydrophobicContact SD-CG 4.03Å; M271-L334 HydrophobicContact CE-CD1 3.61Å; M271-L334 HydrophobicContact CE-CD2 2.9Å; M271-L334 HydrophobicContact CE-CG 3.25Å; M271-L334 HydrophobicContact SD-CD2 4.46Å
272	T	85.8	Confident	88	Confident	67 Å²	67	47.6 Å²	47.6	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-86.4	-21.1	-177.3	57.5	0	0	0	0	112.8	K268 L269 I270	K268-T272 WeakPolarHBondContact O-CG2 3.4Å; L269-T272 PolarHBondContact O-N 2.89Å; L269-T272 PolarHBondContact O-OG1 2.82Å; I270-T272 VanDerWaalsContact C-N 3.27Å; I270-T272 PolarHBondContact O-N 2.76Å
273	L	83.2	Confident	88	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-103.5	-34	-170.9	-65.4	177.2	0	0	0	114.2	F209 V218 M221 K222 L241 L269 I270	F209-L273 HydrophobicContact CZ-CD1 4.49Å; V218-L273 HydrophobicContact CG1-CD2 4.48Å; M221-L273 HydrophobicContact CB-CD2 3.87Å; M221-L273 HydrophobicContact CE-CD1 3.55Å; K222-L273 VanDerWaalsContact CA-CD2 3.48Å; K222-L273 HydrophobicContact CB-CD2 3.75Å; K222-L273 HydrophobicContact CG-CD2 4.45Å; L241-L273 HydrophobicContact CD1-CD1 4.04Å; L269-L273 HydrophobicContact CD1-CD1 3.83Å; L269-L273 HydrophobicContact CD1-CG 4.31Å; L269-L273 HydrophobicContact CG-CD1 3.81Å; L269-L273 VanDerWaalsContact O-CG 3.31Å; L269-L273 WeakPolarHBondContact O-CG 3.41Å; L269-L273 PolarHBondContact O-N 3.42Å; I270-L273 PolarHBondContact O-N 3.5Å
274	F	85.8	Confident	88	Confident	12 Å²	12	50.2 Å²	50.2	5%	0.053	26%	0.256	C	S	.	.			trans	-117.5	138.7	-166.8	-62.2	-82.3	0	0	0	114.2	F209 Y234 C237 A238 L241 I270 R276 V280	F209-F274 HydrophobicContact CZ-CZ 4.36Å; Y234-F274 HydrophobicContact CE1-CD1 4.03Å; Y234-F274 HydrophobicContact CE2-CD1 4.29Å; Y234-F274 AromaticContact CZ-CD1 3.69Å; Y234-F274 VanDerWaalsContact OH-CA 3.27Å; Y234-F274 WeakPolarHBondContact OH-CA 3.47Å; C237-F274 HydrophobicContact CB-CE1 4.01Å; C237-F274 HydrophobicContact CB-CZ 4.16Å; A238-F274 HydrophobicContact CB-CD1 4.46Å; A238-F274 HydrophobicContact CB-CE1 3.87Å; A238-F274 HydrophobicContact CB-CZ 4.12Å; L241-F274 HydrophobicContact CD1-CE2 3.86Å; I270-F274 HydrophobicContact CG2-CD2 4.17Å; I270-F274 PolarHBondContact O-N 2.67Å; F274-R276 VanDerWaalsContact C-N 3.28Å; F274-R276 PolarHBondContact O-N 3.39Å; F274-V280 HydrophobicContact CB-CG2 4.19Å; F274-V280 HydrophobicContact CD1-CG2 4.19Å; F274-V280 HydrophobicContact CD2-CG1 4.33Å; F274-V280 HydrophobicContact CD2-CG2 4.32Å; F274-V280 HydrophobicContact CE2-CG1 4.37Å; F274-V280 HydrophobicContact CG-CG2 3.97Å
275	L	78.8	Confident	88	Confident	119 Å²	119	48.9 Å²	48.9	62%	0.623	25%	0.248	S	C	*	.	S	Bend	trans	-68.3	-26	175.8	-83.4	71.6	0	0	0	113	L229 Y234 P277	L229-L275 HydrophobicContact CD1-CD1 3.47Å; L229-L275 VanDerWaalsContact CD1-CD1 3.47Å; L229-L275 HydrophobicContact CD1-CD2 3.97Å; L229-L275 HydrophobicContact CD1-CG 4.26Å; L229-L275 HydrophobicContact CD2-CD1 4.06Å; L229-L275 HydrophobicContact CD2-CD2 4.17Å; L229-L275 HydrophobicContact CG-CD1 4.42Å; Y234-L275 PolarHBondContact OH-N 3.33Å; Y234-L275 VanDerWaalsContact OH-N 3.13Å; L275-P277 VanDerWaalsContact C-CD 3.48Å; L275-P277 WeakPolarHBondContact O-CD 3.37Å
276	R	83.4	Confident	88.2	Confident	188 Å²	188	50 Å²	50	71%	0.709	25%	0.245	S	C	*	.			trans	-121.7	69.4	178.4	-65.8	-169.2	69	176.2	0.4	110.8	F274 D278 S279	F274-R276 VanDerWaalsContact C-N 3.28Å; F274-R276 PolarHBondContact O-N 3.39Å; R276-D278 VanDerWaalsContact C-N 3.27Å; R276-D278 PolarHBondContact O-N 3.08Å; R276-S279 WeakPolarHBondContact CB-OG 3.36Å; R276-S279 PolarHBondContact O-N 3.19Å; R276-S279 PolarHBondContact O-OG 3.48Å
277	P	85	Confident	88.3	Confident	20 Å²	20	51 Å²	51	13%	0.13	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-35.2	-171.2	28.1	-36.6	0	0	0	112.4	I270 M271 L275 S279 V280 L281 L334	I270-P277 HydrophobicContact CG2-CB 3.7Å; I270-P277 WeakPolarHBondContact CG2-O 3.25Å; M271-P277 HydrophobicContact CE-CB 4.38Å; M271-P277 HydrophobicContact CE-CG 4.15Å; M271-P277 HydrophobicContact SD-CB 4.2Å; M271-P277 HydrophobicContact SD-CG 4.03Å; L275-P277 VanDerWaalsContact C-CD 3.48Å; L275-P277 WeakPolarHBondContact O-CD 3.37Å; P277-S279 VanDerWaalsContact C-N 3.31Å; P277-S279 PolarHBondContact O-N 2.95Å; P277-V280 PolarHBondContact O-N 3.3Å; P277-L281 PolarHBondContact O-N 3.24Å; P277-L334 HydrophobicContact CB-CD1 3.73Å; P277-L334 HydrophobicContact CG-CD1 4.31Å; P277-L334 HydrophobicContact CG-CD2 4.23Å
278	D	87.2	Confident	88.4	Confident	81 Å²	81	50.7 Å²	50.7	43%	0.433	25%	0.251	S	S	.	.	H	α-helix	trans	-55.7	-45	178.7	-44.5	-22.2	0	0	0	112.3	R276 V280 L281 M282 L334	R276-D278 VanDerWaalsContact C-N 3.27Å; R276-D278 PolarHBondContact O-N 3.08Å; D278-V280 PolarHBondContact O-N 3.38Å; D278-L281 PolarHBondContact O-N 3.16Å; D278-M282 WeakPolarHBondContact O-CB 3.4Å; D278-M282 VanDerWaalsContact O-CG 3.31Å; D278-M282 WeakPolarHBondContact O-CG 3.36Å; D278-M282 PolarHBondContact O-N 3.31Å; D278-L334 WeakPolarHBondContact OD1-CD2 3.1Å
279	S	88	Confident	88.6	Confident	56 Å²	56	44 Å²	44	39%	0.392	22%	0.222	S	C	.	.	H	α-helix	trans	-68	-37.5	-176.5	63.1	0	0	0	0	112.3	R276 P277 M282 Q283	R276-S279 WeakPolarHBondContact CB-OG 3.36Å; R276-S279 PolarHBondContact O-N 3.19Å; R276-S279 PolarHBondContact O-OG 3.48Å; P277-S279 VanDerWaalsContact C-N 3.31Å; P277-S279 PolarHBondContact O-N 2.95Å; S279-M282 PolarHBondContact O-N 3.47Å; S279-Q283 WeakPolarHBondContact O-CB 3.46Å; S279-Q283 PolarHBondContact O-N 3.45Å
280	V	88.8	Confident	88.7	Confident	8 Å²	8	45.5 Å²	45.5	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-72.7	-42.9	178.8	-178.9	0	0	0	0	110.3	A238 I270 F274 P277 D278 M282 Q283 L284	A238-V280 HydrophobicContact CB-CB 4.48Å; A238-V280 HydrophobicContact CB-CG1 3.95Å; A238-V280 HydrophobicContact CB-CG2 3.78Å; I270-V280 HydrophobicContact CD1-CG1 4.05Å; I270-V280 HydrophobicContact CG1-CG1 4.05Å; I270-V280 HydrophobicContact CG2-CB 3.9Å; I270-V280 HydrophobicContact CG2-CG1 4.11Å; F274-V280 HydrophobicContact CB-CG2 4.19Å; F274-V280 HydrophobicContact CD1-CG2 4.19Å; F274-V280 HydrophobicContact CD2-CG1 4.33Å; F274-V280 HydrophobicContact CD2-CG2 4.32Å; F274-V280 HydrophobicContact CE2-CG1 4.37Å; F274-V280 HydrophobicContact CG-CG2 3.97Å; P277-V280 PolarHBondContact O-N 3.3Å; D278-V280 PolarHBondContact O-N 3.38Å; V280-M282 VanDerWaalsContact C-N 3.31Å; V280-M282 PolarHBondContact O-N 3.42Å; V280-Q283 PolarHBondContact O-N 2.87Å; V280-L284 PolarHBondContact O-N 2.92Å
281	L	91.5	Very high	88.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-41.9	174.3	-177.1	64.7	0	0	0	110.8	E267 I270 P277 D278 Q283 L284 M285 L332 L334 I335	E267-L281 HydrophobicContact CG-CD2 4.34Å; I270-L281 HydrophobicContact CD1-CB 4.34Å; I270-L281 HydrophobicContact CD1-CD1 4.25Å; P277-L281 PolarHBondContact O-N 3.24Å; D278-L281 PolarHBondContact O-N 3.16Å; L281-Q283 PolarHBondContact O-N 3.5Å; L281-L284 HydrophobicContact CD1-CD2 4.33Å; L281-L284 WeakPolarHBondContact O-CB 3.31Å; L281-L284 PolarHBondContact O-N 2.89Å; L281-M285 VanDerWaalsContact O-CG 3.28Å; L281-M285 WeakPolarHBondContact O-CG 3.43Å; L281-M285 PolarHBondContact O-N 3.04Å; L281-L332 HydrophobicContact CD2-CD1 4.46Å; L281-L334 HydrophobicContact CB-CD1 4.27Å; L281-L334 HydrophobicContact CD2-CB 3.66Å; L281-L334 HydrophobicContact CD2-CD1 3.95Å; L281-L334 HydrophobicContact CD2-CG 4.41Å; L281-I335 HydrophobicContact CD2-CG1 4.1Å
282	M	90.6	Very high	89.1	Confident	44 Å²	44	45.8 Å²	45.8	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-36	176.8	-76.3	-52.9	-57.9	0	0	113.4	D278 S279 V280 M285 H286 Q340 L344	D278-M282 WeakPolarHBondContact O-CB 3.4Å; D278-M282 VanDerWaalsContact O-CG 3.31Å; D278-M282 WeakPolarHBondContact O-CG 3.36Å; D278-M282 PolarHBondContact O-N 3.31Å; S279-M282 PolarHBondContact O-N 3.47Å; V280-M282 VanDerWaalsContact C-N 3.31Å; V280-M282 PolarHBondContact O-N 3.42Å; M282-M285 PolarHBondContact O-N 3.24Å; M282-H286 WeakPolarHBondContact O-CB 3.28Å; M282-H286 PolarHBondContact O-N 2.94Å; M282-Q340 HydrophobicContact CE-CB 3.72Å; M282-Q340 HydrophobicContact CE-CG 4.39Å; M282-Q340 HydrophobicContact SD-CB 4.28Å; M282-Q340 PolarHBondContact SD-OE1 3.45Å; M282-L344 HydrophobicContact CE-CD1 4.39Å
283	Q	91	Very high	89.5	Confident	78 Å²	78	42.7 Å²	42.7	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-41.2	171.4	-173.1	179.7	-0.5	0	0	111.4	V242 S279 V280 L281 H286 S287	V242-Q283 HydrophobicContact CG2-CB 4.32Å; V242-Q283 HydrophobicContact CG2-CG 4.16Å; S279-Q283 WeakPolarHBondContact O-CB 3.46Å; S279-Q283 PolarHBondContact O-N 3.45Å; V280-Q283 PolarHBondContact O-N 2.87Å; L281-Q283 PolarHBondContact O-N 3.5Å; Q283-H286 PolarHBondContact O-N 2.97Å; Q283-S287 WeakPolarHBondContact O-CB 3.49Å; Q283-S287 PolarHBondContact O-N 3.3Å
284	L	92.2	Very high	90	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-48.4	173.8	178.3	58.2	0	0	0	111.2	V242 T245 V246 L263 I270 V280 L281 S287 L288	V242-L284 HydrophobicContact CG1-CD1 4.28Å; V242-L284 HydrophobicContact CG2-CB 3.99Å; T245-L284 HydrophobicContact CG2-CD1 3.79Å; T245-L284 HydrophobicContact CG2-CD2 4.12Å; V246-L284 HydrophobicContact CG2-CD1 3.71Å; L263-L284 HydrophobicContact CD2-CD2 3.72Å; L263-L284 HydrophobicContact CD2-CG 3.9Å; I270-L284 HydrophobicContact CD1-CD2 4.19Å; V280-L284 PolarHBondContact O-N 2.92Å; L281-L284 HydrophobicContact CD1-CD2 4.33Å; L281-L284 WeakPolarHBondContact O-CB 3.31Å; L281-L284 PolarHBondContact O-N 2.89Å; L284-S287 PolarHBondContact O-N 3.34Å; L284-L288 WeakPolarHBondContact O-CB 3.47Å; L284-L288 PolarHBondContact O-N 2.91Å
285	M	91.4	Very high	90.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-47.8	177.5	-70.7	-56.5	-73	0	0	111.8	L263 L281 M282 S287 L288 F289 L328 L341 L344	L263-M285 HydrophobicContact CD1-CE 4.14Å; L263-M285 HydrophobicContact CD1-SD 3.46Å; L263-M285 WeakPolarHBondContact CD1-SD 3.45Å; L263-M285 HydrophobicContact CD2-SD 3.81Å; L263-M285 HydrophobicContact CG-SD 4.23Å; L281-M285 VanDerWaalsContact O-CG 3.28Å; L281-M285 WeakPolarHBondContact O-CG 3.43Å; L281-M285 PolarHBondContact O-N 3.04Å; M282-M285 PolarHBondContact O-N 3.24Å; M285-S287 VanDerWaalsContact C-N 3.34Å; M285-S287 PolarHBondContact O-N 3.42Å; M285-L288 PolarHBondContact O-N 3.26Å; M285-F289 HydrophobicContact CE-CD2 4.43Å; M285-F289 HydrophobicContact CE-CE2 3.69Å; M285-F289 VanDerWaalsContact O-CD2 3.23Å; M285-F289 WeakPolarHBondContact O-CD2 3.5Å; M285-F289 PolarHBondContact O-N 3.34Å; M285-L328 HydrophobicContact CE-CD1 3.53Å; M285-L341 HydrophobicContact CE-CD2 3.33Å; M285-L344 HydrophobicContact CB-CD1 4.05Å
286	H	93	Very high	90.9	Very high	94 Å²	94	45.6 Å²	45.6	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-43	178.3	-175.4	71.8	0	0	0	112	M282 Q283 F289 T290 L344	M282-H286 WeakPolarHBondContact O-CB 3.28Å; M282-H286 PolarHBondContact O-N 2.94Å; Q283-H286 PolarHBondContact O-N 2.97Å; H286-F289 PolarHBondContact O-N 3.39Å; H286-T290 VanDerWaalsContact O-CB 3.26Å; H286-T290 WeakPolarHBondContact O-CB 3.36Å; H286-T290 PolarHBondContact O-N 2.69Å; H286-T290 PolarHBondContact O-OG1 3.35Å; H286-L344 HydrophobicContact CB-CD2 4.31Å; H286-L344 WeakPolarHBondContact ND1-CD2 3.33Å
287	S	92.3	Very high	91.4	Very high	28 Å²	28	36.7 Å²	36.7	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-44.7	176.4	-173.9	0	0	0	0	111.7	Q283 L284 M285 F289 T290 T291	Q283-S287 WeakPolarHBondContact O-CB 3.49Å; Q283-S287 PolarHBondContact O-N 3.3Å; L284-S287 PolarHBondContact O-N 3.34Å; M285-S287 VanDerWaalsContact C-N 3.34Å; M285-S287 PolarHBondContact O-N 3.42Å; S287-F289 PolarHBondContact O-N 3.37Å; S287-T290 PolarHBondContact O-N 2.82Å; S287-T291 WeakPolarHBondContact O-CB 3.13Å; S287-T291 WeakPolarHBondContact O-CG2 3.41Å; S287-T291 PolarHBondContact O-N 2.88Å; S287-T291 PolarHBondContact O-OG1 3.15Å
288	L	93	Very high	91.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.211	C	C	.	.	I	π-helix	trans	-56.5	-49.8	176.2	174.3	67.3	0	0	0	111.6	I249 I259 L263 L284 M285 K292 L293	I249-L288 HydrophobicContact CD1-CD1 3.47Å; I249-L288 VanDerWaalsContact CD1-CD1 3.47Å; I249-L288 HydrophobicContact CG2-CD1 4.46Å; I259-L288 HydrophobicContact CD1-CD1 4.48Å; I259-L288 HydrophobicContact CG2-CD2 3.71Å; L263-L288 HydrophobicContact CD1-CD2 3.76Å; L263-L288 HydrophobicContact CD2-CD2 4.3Å; L263-L288 HydrophobicContact CG-CD2 4.38Å; L284-L288 WeakPolarHBondContact O-CB 3.47Å; L284-L288 PolarHBondContact O-N 2.91Å; M285-L288 PolarHBondContact O-N 3.26Å; L288-K292 HydrophobicContact CD1-CB 4.1Å; L288-K292 HydrophobicContact CD1-CG 4.36Å; L288-K292 WeakPolarHBondContact O-CB 3.47Å; L288-K292 PolarHBondContact O-N 3.44Å; L288-L293 HydrophobicContact CG-CG 4.5Å; L288-L293 PolarHBondContact O-N 3.36Å
289	F	93.9	Very high	91.7	Very high	5 Å²	5	38 Å²	38	2%	0.022	21%	0.206	C	C	.	.	I	π-helix	trans	-64.9	-44.9	-179	-85.4	-114.4	0	0	0	111.5	M285 H286 S287 L293 K294 V321 V325 L344 L348	M285-F289 HydrophobicContact CE-CD2 4.43Å; M285-F289 HydrophobicContact CE-CE2 3.69Å; M285-F289 VanDerWaalsContact O-CD2 3.23Å; M285-F289 WeakPolarHBondContact O-CD2 3.5Å; M285-F289 PolarHBondContact O-N 3.34Å; H286-F289 PolarHBondContact O-N 3.39Å; S287-F289 PolarHBondContact O-N 3.37Å; F289-L293 HydrophobicContact CD1-CD1 4Å; F289-L293 HydrophobicContact CD2-CD1 3.81Å; F289-L293 HydrophobicContact CE1-CD1 4.05Å; F289-L293 HydrophobicContact CE2-CD1 3.86Å; F289-L293 HydrophobicContact CG-CD1 3.89Å; F289-L293 HydrophobicContact CZ-CD1 3.99Å; F289-K294 WeakPolarHBondContact O-CB 3.33Å; F289-K294 PolarHBondContact O-N 2.74Å; F289-V321 HydrophobicContact CE1-CG1 4.46Å; F289-V325 HydrophobicContact CE1-CG2 4.33Å; F289-V325 HydrophobicContact CZ-CG2 4.04Å; F289-L344 HydrophobicContact CD1-CB 3.7Å; F289-L344 HydrophobicContact CD2-CD1 4.35Å; F289-L344 HydrophobicContact CE1-CB 4.03Å; F289-L344 HydrophobicContact CG-CB 4.03Å; F289-L344 HydrophobicContact CG-CD1 4.39Å; F289-L348 HydrophobicContact CD1-CB 4.49Å; F289-L348 HydrophobicContact CD1-CD2 4.03Å; F289-L348 HydrophobicContact CE1-CD2 4.37Å
290	T	91.9	Very high	91.6	Very high	62 Å²	62	38.2 Å²	38.2	38%	0.38	20%	0.201	S	C	.	.	I	π-helix	trans	-78.5	-33.9	-173	-54.7	0	0	0	0	113.6	H286 S287 K294	H286-T290 VanDerWaalsContact O-CB 3.26Å; H286-T290 WeakPolarHBondContact O-CB 3.36Å; H286-T290 PolarHBondContact O-N 2.69Å; H286-T290 PolarHBondContact O-OG1 3.35Å; S287-T290 PolarHBondContact O-N 2.82Å; T290-K294 VanDerWaalsContact O-CB 3.24Å; T290-K294 WeakPolarHBondContact O-CB 3.31Å
291	T	92.1	Very high	91.4	Very high	60 Å²	60	38.4 Å²	38.4	37%	0.368	20%	0.202	S	C	.	.	I	π-helix	trans	-103.7	-30.1	-173.1	67.7	0	0	0	0	114.1	V246 S287 V295	V246-T291 WeakPolarHBondContact CG1-OG1 3.14Å; S287-T291 WeakPolarHBondContact O-CB 3.13Å; S287-T291 WeakPolarHBondContact O-CG2 3.41Å; S287-T291 PolarHBondContact O-N 2.88Å; S287-T291 PolarHBondContact O-OG1 3.15Å; T291-V295 WeakPolarHBondContact O-CG2 3.5Å
292	K	92.7	Very high	91	Very high	32 Å²	32	43.4 Å²	43.4	14%	0.139	22%	0.224	C	C	.	.	I	π-helix	trans	-108	-56.6	-177.7	-58.1	-64.1	176.6	147.4	0	112	V246 I249 P251 L288 K294 V295 Y296	V246-K292 HydrophobicContact CG1-CD 4.17Å; V246-K292 HydrophobicContact CG1-CG 3.68Å; V246-K292 WeakPolarHBondContact O-CE 3.26Å; V246-K292 PolarHBondContact O-NZ 3.35Å; V246-K292 VanDerWaalsContact O-NZ 3.12Å; I249-K292 HydrophobicContact CB-CG 4.47Å; I249-K292 HydrophobicContact CG2-CB 4.39Å; I249-K292 HydrophobicContact CG2-CG 4.4Å; I249-K292 WeakPolarHBondContact O-CD 3.49Å; I249-K292 WeakPolarHBondContact O-CE 3.33Å; I249-K292 PolarHBondContact O-NZ 3.31Å; P251-K292 HydrophobicContact CB-CD 4.38Å; P251-K292 HydrophobicContact CG-CD 4.45Å; L288-K292 HydrophobicContact CD1-CB 4.1Å; L288-K292 HydrophobicContact CD1-CG 4.36Å; L288-K292 WeakPolarHBondContact O-CB 3.47Å; L288-K292 PolarHBondContact O-N 3.44Å; K292-K294 PolarHBondContact O-N 3.02Å; K292-V295 PolarHBondContact O-N 3.34Å; K292-Y296 WeakPolarHBondContact O-CB 3.23Å; K292-Y296 PolarHBondContact O-N 3.34Å
293	L	93.4	Very high	90.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.258	C	S	.	.	I	π-helix	trans	-65	-40.2	-178.7	-63.3	-179.7	0	0	0	111.6	I254 F256 I259 L288 F289 V295 Y296 L297 L324 L348	I254-L293 HydrophobicContact CD1-CD2 3.75Å; F256-L293 HydrophobicContact CE1-CD2 4.36Å; I259-L293 HydrophobicContact CD1-CD2 4.11Å; L288-L293 HydrophobicContact CG-CG 4.5Å; L288-L293 PolarHBondContact O-N 3.36Å; F289-L293 HydrophobicContact CD1-CD1 4Å; F289-L293 HydrophobicContact CD2-CD1 3.81Å; F289-L293 HydrophobicContact CE1-CD1 4.05Å; F289-L293 HydrophobicContact CE2-CD1 3.86Å; F289-L293 HydrophobicContact CG-CD1 3.89Å; F289-L293 HydrophobicContact CZ-CD1 3.99Å; L293-V295 VanDerWaalsContact C-N 3.34Å; L293-V295 PolarHBondContact O-N 2.91Å; L293-Y296 WeakPolarHBondContact O-CB 3.38Å; L293-Y296 PolarHBondContact O-N 3.04Å; L293-L297 WeakPolarHBondContact O-CG 3.4Å; L293-L297 PolarHBondContact O-N 2.86Å; L293-L324 HydrophobicContact CD1-CD2 4.17Å; L293-L348 HydrophobicContact CB-CD1 4.33Å; L293-L348 HydrophobicContact CB-CD2 4.03Å; L293-L348 HydrophobicContact CD1-CD2 4.41Å
294	K	93.5	Very high	89.4	Confident	119 Å²	119	55.7 Å²	55.7	52%	0.517	28%	0.28	S	S	.	.	H	α-helix	trans	-58.4	-44	174.7	-171.6	178.7	-179.6	178.3	0	112.9	F289 T290 K292 S298 L348	F289-K294 WeakPolarHBondContact O-CB 3.33Å; F289-K294 PolarHBondContact O-N 2.74Å; T290-K294 VanDerWaalsContact O-CB 3.24Å; T290-K294 WeakPolarHBondContact O-CB 3.31Å; K292-K294 PolarHBondContact O-N 3.02Å; K294-S298 WeakPolarHBondContact O-CB 3.42Å; K294-S298 PolarHBondContact O-N 3.41Å; K294-L348 HydrophobicContact CB-CD1 4.01Å
295	V	92.3	Very high	88.7	Confident	62 Å²	62	58.4 Å²	58.4	38%	0.376	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-42.2	178.4	175.9	0	0	0	0	110.8	P251 T291 K292 L293 S298 N299	P251-V295 HydrophobicContact CB-CB 4.2Å; P251-V295 HydrophobicContact CB-CG1 4Å; P251-V295 HydrophobicContact CG-CG1 4.35Å; T291-V295 WeakPolarHBondContact O-CG2 3.5Å; K292-V295 PolarHBondContact O-N 3.34Å; L293-V295 VanDerWaalsContact C-N 3.34Å; L293-V295 PolarHBondContact O-N 2.91Å; V295-S298 PolarHBondContact O-N 2.94Å; V295-N299 VanDerWaalsContact O-CG 3.3Å; V295-N299 PolarHBondContact O-N 3.37Å; V295-N299 PolarHBondContact O-ND2 2.95Å
296	Y	92.7	Very high	88.5	Confident	16 Å²	16	63.3 Å²	63.3	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-56.2	-50.3	173.3	169.1	-103	0	0	0	111.9	P251 I254 F256 K292 L293 S298 N299 H300 E317	P251-Y296 WeakPolarHBondContact O-CB 3.13Å; P251-Y296 WeakPolarHBondContact O-CD2 3.23Å; I254-Y296 HydrophobicContact CB-CD2 4.03Å; I254-Y296 HydrophobicContact CB-CE2 4.08Å; I254-Y296 HydrophobicContact CB-CG 4.42Å; I254-Y296 VanDerWaalsContact CD1-CB 3.45Å; I254-Y296 HydrophobicContact CD1-CD1 4.16Å; I254-Y296 HydrophobicContact CD1-CD2 3.89Å; I254-Y296 HydrophobicContact CD1-CG 3.57Å; I254-Y296 HydrophobicContact CG1-CD2 3.85Å; I254-Y296 HydrophobicContact CG1-CE2 4.41Å; I254-Y296 HydrophobicContact CG1-CG 4.07Å; F256-Y296 HydrophobicContact CZ-CE1 4.07Å; K292-Y296 WeakPolarHBondContact O-CB 3.23Å; K292-Y296 PolarHBondContact O-N 3.34Å; L293-Y296 WeakPolarHBondContact O-CB 3.38Å; L293-Y296 PolarHBondContact O-N 3.04Å; Y296-S298 PolarHBondContact O-N 3.33Å; Y296-N299 WeakPolarHBondContact O-CB 3.43Å; Y296-N299 PolarHBondContact O-N 3.46Å; Y296-H300 AromaticContact CD2-CD2 3.71Å; Y296-H300 AromaticContact CD2-NE2 3.8Å; Y296-H300 AromaticContact CE2-CD2 3.42Å; Y296-H300 VanDerWaalsContact CE2-CD2 3.42Å; Y296-H300 WeakPolarHBondContact CE2-CD2 3.28Å; Y296-H300 AromaticContact CE2-CE1 3.83Å; Y296-H300 AromaticContact CE2-NE2 3.13Å; Y296-H300 WeakPolarHBondContact CE2-NE2 3.22Å; Y296-H300 AromaticContact CZ-CD2 3.84Å; Y296-H300 AromaticContact CZ-CE1 3.96Å; Y296-H300 AromaticContact CZ-NE2 3.69Å; Y296-H300 PolarHBondContact O-CD2 3.49Å; Y296-H300 VanDerWaalsContact O-CD2 3.32Å; Y296-H300 PolarHBondContact O-N 3.03Å; Y296-E317 WeakPolarHBondContact CE1-OE2 3.28Å; Y296-E317 PolarHBondContact OH-OE1 2.97Å; Y296-E317 PolarHBondContact OH-OE2 3.45Å; Y296-E317 VanDerWaalsContact OH-OE2 3.08Å
297	L	91.9	Very high	88.2	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-44.3	176.8	-69.7	-174.5	0	0	0	111.6	L293 N299 H300 M301 E317 L348 F349 Y352	L293-L297 WeakPolarHBondContact O-CG 3.4Å; L293-L297 PolarHBondContact O-N 2.86Å; L297-N299 PolarHBondContact O-N 3Å; L297-H300 CarbonylContact O-C 3.53Å; L297-H300 PolarHBondContact O-N 3.36Å; L297-M301 WeakPolarHBondContact O-CB 3.41Å; L297-M301 VanDerWaalsContact O-CG 3.31Å; L297-M301 WeakPolarHBondContact O-CG 3.28Å; L297-M301 PolarHBondContact O-N 3.26Å; L297-E317 HydrophobicContact CD2-CB 3.66Å; L297-E317 HydrophobicContact CD2-CG 4.1Å; L297-L348 HydrophobicContact CD1-CD1 3.7Å; L297-L348 HydrophobicContact CD1-CD2 3.73Å; L297-L348 HydrophobicContact CD1-CG 3.45Å; L297-L348 VanDerWaalsContact CD1-CG 3.45Å; L297-F349 HydrophobicContact CD1-CD1 4.39Å; L297-F349 HydrophobicContact CD1-CE1 3.86Å; L297-F349 HydrophobicContact CD1-CE2 4.21Å; L297-F349 HydrophobicContact CD1-CZ 3.74Å; L297-F349 HydrophobicContact CD2-CE1 4.29Å; L297-F349 HydrophobicContact CD2-CZ 4.13Å; L297-Y352 HydrophobicContact CB-CE2 4.3Å; L297-Y352 HydrophobicContact CD1-CE2 4.32Å
298	S	90.7	Very high	88	Confident	64 Å²	64	63.5 Å²	63.5	45%	0.448	33%	0.328	S	S	.	.	H	α-helix	trans	-58.9	-34	176.7	-178.1	0	0	0	0	112.5	K294 V295 Y296 Y352	K294-S298 WeakPolarHBondContact O-CB 3.42Å; K294-S298 PolarHBondContact O-N 3.41Å; V295-S298 PolarHBondContact O-N 2.94Å; Y296-S298 PolarHBondContact O-N 3.33Å; S298-Y352 PolarHBondContact N-OH 3.44Å
299	N	89	Confident	87.9	Confident	63 Å²	63	64.8 Å²	64.8	34%	0.337	34%	0.339	S	S	.	.	H	α-helix	trans	-74.3	-31.6	175.7	-73	-22	0	0	0	113.3	N252 V295 Y296 L297 K302	N252-N299 PolarHBondContact OD1-ND2 3.21Å; N252-N299 VanDerWaalsContact OD1-ND2 3.11Å; V295-N299 VanDerWaalsContact O-CG 3.3Å; V295-N299 PolarHBondContact O-N 3.37Å; V295-N299 PolarHBondContact O-ND2 2.95Å; Y296-N299 WeakPolarHBondContact O-CB 3.43Å; Y296-N299 PolarHBondContact O-N 3.46Å; L297-N299 PolarHBondContact O-N 3Å; N299-K302 WeakPolarHBondContact O-CE 3.43Å; N299-K302 WeakPolarHBondContact O-CG 3.48Å
300	H	85.7	Confident	87.8	Confident	62 Å²	62	65.9 Å²	65.9	29%	0.287	34%	0.343	S	S	.	.	H	α-helix	trans	-85.7	-19.2	177.9	-83.6	-108.8	0	0	0	113.5	Y296 L297 L305 N313 E317	Y296-H300 AromaticContact CD2-CD2 3.71Å; Y296-H300 AromaticContact CD2-NE2 3.8Å; Y296-H300 AromaticContact CE2-CD2 3.42Å; Y296-H300 VanDerWaalsContact CE2-CD2 3.42Å; Y296-H300 WeakPolarHBondContact CE2-CD2 3.28Å; Y296-H300 AromaticContact CE2-CE1 3.83Å; Y296-H300 AromaticContact CE2-NE2 3.13Å; Y296-H300 WeakPolarHBondContact CE2-NE2 3.22Å; Y296-H300 AromaticContact CZ-CD2 3.84Å; Y296-H300 AromaticContact CZ-CE1 3.96Å; Y296-H300 AromaticContact CZ-NE2 3.69Å; Y296-H300 PolarHBondContact O-CD2 3.49Å; Y296-H300 VanDerWaalsContact O-CD2 3.32Å; Y296-H300 PolarHBondContact O-N 3.03Å; L297-H300 CarbonylContact O-C 3.53Å; L297-H300 PolarHBondContact O-N 3.36Å; H300-L305 VanDerWaalsContact O-CD1 3.23Å; H300-L305 WeakPolarHBondContact O-CD1 3.42Å; H300-N313 PolarHBondContact O-ND2 2.99Å; H300-E317 HydrophobicContact CB-CG 4.41Å; H300-E317 IonicContact CE1-OE1 2.87Å; H300-E317 IonicContact ND1-OE1 3.25Å; H300-E317 PolarHBondContact ND1-OE1 3.03Å
301	M	84.8	Confident	87.9	Confident	12 Å²	12	63 Å²	63	6%	0.059	33%	0.325	C	S	.	.	S	Bend	trans	-118.8	45.9	-174.9	-60.9	-61.1	-72.7	0	0	111.3	L297 F310 N313 L314 Y352	L297-M301 WeakPolarHBondContact O-CB 3.41Å; L297-M301 VanDerWaalsContact O-CG 3.31Å; L297-M301 WeakPolarHBondContact O-CG 3.28Å; L297-M301 PolarHBondContact O-N 3.26Å; M301-F310 HydrophobicContact CB-CE2 4.33Å; M301-F310 HydrophobicContact CE-CD1 4.2Å; M301-F310 HydrophobicContact CE-CD2 3.55Å; M301-F310 HydrophobicContact CE-CE1 3.89Å; M301-F310 HydrophobicContact CE-CE2 3.22Å; M301-F310 HydrophobicContact CE-CG 4.04Å; M301-F310 HydrophobicContact CE-CZ 3.4Å; M301-F310 VanDerWaalsContact CE-CZ 3.4Å; M301-F310 HydrophobicContact SD-CD2 4.46Å; M301-F310 HydrophobicContact SD-CE2 4.49Å; M301-N313 HydrophobicContact SD-CB 3.58Å; M301-N313 VanDerWaalsContact SD-CB 3.58Å; M301-L314 HydrophobicContact CE-CB 3.44Å; M301-L314 VanDerWaalsContact CE-CB 3.44Å; M301-L314 HydrophobicContact CE-CD1 3.95Å; M301-L314 HydrophobicContact CE-CG 4.14Å; M301-L314 HydrophobicContact SD-CB 4.3Å; M301-L314 PolarHBondContact SD-N 3.35Å; M301-L314 VanDerWaalsContact SD-N 3.45Å; M301-Y352 HydrophobicContact CB-CD1 4.2Å; M301-Y352 HydrophobicContact CB-CE1 3.73Å; M301-Y352 HydrophobicContact CE-CD1 4.43Å; M301-Y352 HydrophobicContact CG-CD1 4.5Å; M301-Y352 HydrophobicContact CG-CE1 4.28Å
302	K	82.1	Confident	87.9	Confident	106 Å²	106	62.4 Å²	62.4	46%	0.461	32%	0.322	S	S	.	.			trans	-65.9	144.3	179.2	-65.2	-178.6	179.7	-174.5	0	111.4	N299 E304 L305	N299-K302 WeakPolarHBondContact O-CE 3.43Å; N299-K302 WeakPolarHBondContact O-CG 3.48Å; K302-E304 PolarHBondContact O-N 2.87Å; K302-L305 HydrophobicContact CB-CD1 4.42Å; K302-L305 HydrophobicContact CB-CG 4.31Å; K302-L305 WeakPolarHBondContact O-CB 3.48Å; K302-L305 WeakPolarHBondContact O-CD1 3.5Å; K302-L305 WeakPolarHBondContact O-CG 3.49Å; K302-L305 PolarHBondContact O-N 2.9Å; K302-L305 VanDerWaalsContact O-N 3.14Å
303	E	72.6	Confident	87.9	Confident	199 Å²	199	63 Å²	63	93%	0.93	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.3	175.6	-65.2	-179.5	178.9	0	0	113.1	L305	E303-L305 PolarHBondContact O-N 3.42Å
304	E	75.9	Confident	88	Confident	180 Å²	180	63 Å²	63	84%	0.841	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-7.9	178.6	-61.6	174.2	170.7	0	0	113.9	K302	K302-E304 PolarHBondContact O-N 2.87Å
305	L	78.8	Confident	88	Confident	60 Å²	60	60 Å²	60	31%	0.314	31%	0.313	S	S	.	.	S	Bend	trans	-68.9	144.8	178.4	-70.1	166.4	0	0	0	110.5	H300 K302 E303 A309 F310	H300-L305 VanDerWaalsContact O-CD1 3.23Å; H300-L305 WeakPolarHBondContact O-CD1 3.42Å; K302-L305 HydrophobicContact CB-CD1 4.42Å; K302-L305 HydrophobicContact CB-CG 4.31Å; K302-L305 WeakPolarHBondContact O-CB 3.48Å; K302-L305 WeakPolarHBondContact O-CD1 3.5Å; K302-L305 WeakPolarHBondContact O-CG 3.49Å; K302-L305 PolarHBondContact O-N 2.9Å; K302-L305 VanDerWaalsContact O-N 3.14Å; E303-L305 PolarHBondContact O-N 3.42Å; L305-A309 HydrophobicContact CD2-CB 4.24Å; L305-F310 HydrophobicContact CB-CB 4.36Å
306	N	86.7	Confident	88.1	Confident	102 Å²	102	60.1 Å²	60.1	55%	0.545	31%	0.311	S	S	.	.			trans	-63.5	153.6	167.4	69.3	14	0	0	0	110.2	Q308 A309 F310	N306-Q308 PolarHBondContact O-N 3.45Å; N306-Q308 VanDerWaalsContact O-N 3.15Å; N306-A309 PolarHBondContact O-N 2.96Å; N306-A309 VanDerWaalsContact O-N 3.14Å; N306-A309 WeakPolarHBondContact OD1-CA 3.06Å; N306-A309 WeakPolarHBondContact OD1-CB 3.38Å; N306-A309 PolarHBondContact OD1-N 3.05Å; N306-F310 PolarHBondContact O-N 3.11Å
307	A	86.4	Confident	88.2	Confident	52 Å²	52	60 Å²	60	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-54.6	-38.7	-176	0	0	0	0	0	112.7	F310 L311 W363	A307-F310 PolarHBondContact O-N 3.47Å; A307-L311 VanDerWaalsContact O-CG 3.3Å; A307-L311 WeakPolarHBondContact O-CG 3.34Å; A307-L311 PolarHBondContact O-N 3.21Å; A307-W363 HydrophobicContact CB-CB 4.37Å; A307-W363 HydrophobicContact CB-CG 4.29Å
308	Q	88.4	Confident	88.4	Confident	75 Å²	75	61.7 Å²	61.7	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-46.6	178.4	-173.3	180	-2.4	0	0	113.1	N306 F310 T312 W363	N306-Q308 PolarHBondContact O-N 3.45Å; N306-Q308 VanDerWaalsContact O-N 3.15Å; Q308-F310 VanDerWaalsContact C-N 3.33Å; Q308-T312 VanDerWaalsContact O-CB 3.31Å; Q308-T312 WeakPolarHBondContact O-CB 3.1Å; Q308-T312 PolarHBondContact O-N 2.91Å; Q308-T312 PolarHBondContact O-OG1 2.78Å; Q308-W363 HydrophobicContact CB-CZ2 4.32Å; Q308-W363 HydrophobicContact CG-CZ2 3.99Å
309	A	90.4	Very high	88.6	Confident	28 Å²	28	64.1 Å²	64.1	23%	0.231	32%	0.317	C	S	.	.	H	α-helix	trans	-67.2	-39.4	179	0	0	0	0	0	110.3	L305 N306 T312 N313	L305-A309 HydrophobicContact CD2-CB 4.24Å; N306-A309 PolarHBondContact O-N 2.96Å; N306-A309 VanDerWaalsContact O-N 3.14Å; N306-A309 WeakPolarHBondContact OD1-CA 3.06Å; N306-A309 WeakPolarHBondContact OD1-CB 3.38Å; N306-A309 PolarHBondContact OD1-N 3.05Å; A309-T312 PolarHBondContact O-N 3.49Å; A309-N313 VanDerWaalsContact O-CB 3.24Å; A309-N313 WeakPolarHBondContact O-CB 3.4Å; A309-N313 PolarHBondContact O-N 2.93Å; A309-N313 PolarHBondContact O-OD1 3.36Å
310	F	92.8	Very high	88.8	Confident	27 Å²	27	63.8 Å²	63.8	12%	0.118	32%	0.315	C	S	.	.	H	α-helix	trans	-56.9	-54.2	173.8	178.5	-88.9	0	0	0	111.7	M301 L305 N306 A307 Q308 T312 N313 L314	M301-F310 HydrophobicContact CB-CE2 4.33Å; M301-F310 HydrophobicContact CE-CD1 4.2Å; M301-F310 HydrophobicContact CE-CD2 3.55Å; M301-F310 HydrophobicContact CE-CE1 3.89Å; M301-F310 HydrophobicContact CE-CE2 3.22Å; M301-F310 HydrophobicContact CE-CG 4.04Å; M301-F310 HydrophobicContact CE-CZ 3.4Å; M301-F310 VanDerWaalsContact CE-CZ 3.4Å; M301-F310 HydrophobicContact SD-CD2 4.46Å; M301-F310 HydrophobicContact SD-CE2 4.49Å; L305-F310 HydrophobicContact CB-CB 4.36Å; N306-F310 PolarHBondContact O-N 3.11Å; A307-F310 PolarHBondContact O-N 3.47Å; Q308-F310 VanDerWaalsContact C-N 3.33Å; F310-T312 VanDerWaalsContact C-N 3.3Å; F310-T312 PolarHBondContact O-N 3.08Å; F310-N313 PolarHBondContact O-N 3.41Å; F310-L314 HydrophobicContact CE1-CD2 4.23Å; F310-L314 WeakPolarHBondContact O-CB 3.36Å; F310-L314 PolarHBondContact O-N 3.16Å
311	L	92.9	Very high	89.2	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-36.4	-179.3	-67.1	171.4	0	0	0	112.5	A307 Y315 Y356 Q359 E360 W363 R437	A307-L311 VanDerWaalsContact O-CG 3.3Å; A307-L311 WeakPolarHBondContact O-CG 3.34Å; A307-L311 PolarHBondContact O-N 3.21Å; L311-Y315 WeakPolarHBondContact O-CB 3.36Å; L311-Y315 PolarHBondContact O-N 2.8Å; L311-Y315 VanDerWaalsContact O-N 3.11Å; L311-Y356 HydrophobicContact CD2-CD2 3.95Å; L311-Y356 HydrophobicContact CD2-CE2 3.9Å; L311-Q359 HydrophobicContact CD2-CB 4.48Å; L311-E360 HydrophobicContact CD2-CB 4.45Å; L311-W363 HydrophobicContact CD1-CB 3.95Å; L311-W363 HydrophobicContact CD1-CD2 3.87Å; L311-W363 HydrophobicContact CD1-CE3 4Å; L311-W363 HydrophobicContact CD1-CG 3.84Å; L311-R437 WeakPolarHBondContact O-CD 3.43Å
312	T	92.7	Very high	89.7	Confident	49 Å²	49	63.8 Å²	63.8	30%	0.301	32%	0.315	S	S	.	.	H	α-helix	trans	-68.4	-44.4	177.2	-57.6	0	0	0	0	111.4	Q308 A309 F310 Y315 N316	Q308-T312 VanDerWaalsContact O-CB 3.31Å; Q308-T312 WeakPolarHBondContact O-CB 3.1Å; Q308-T312 PolarHBondContact O-N 2.91Å; Q308-T312 PolarHBondContact O-OG1 2.78Å; A309-T312 PolarHBondContact O-N 3.49Å; F310-T312 VanDerWaalsContact C-N 3.3Å; F310-T312 PolarHBondContact O-N 3.08Å; T312-Y315 PolarHBondContact O-N 2.6Å; T312-N316 WeakPolarHBondContact O-CB 3.41Å; T312-N316 VanDerWaalsContact O-CG 3.25Å; T312-N316 PolarHBondContact O-N 3.23Å; T312-N316 PolarHBondContact O-ND2 3.48Å
313	N	93.2	Very high	90.2	Very high	43 Å²	43	63.6 Å²	63.6	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-44.2	176.5	-71.1	-3	0	0	0	110.6	H300 M301 A309 F310 Y315 N316 E317	H300-N313 PolarHBondContact O-ND2 2.99Å; M301-N313 HydrophobicContact SD-CB 3.58Å; M301-N313 VanDerWaalsContact SD-CB 3.58Å; A309-N313 VanDerWaalsContact O-CB 3.24Å; A309-N313 WeakPolarHBondContact O-CB 3.4Å; A309-N313 PolarHBondContact O-N 2.93Å; A309-N313 PolarHBondContact O-OD1 3.36Å; F310-N313 PolarHBondContact O-N 3.41Å; N313-Y315 VanDerWaalsContact C-N 3.32Å; N313-Y315 PolarHBondContact O-N 2.96Å; N313-N316 PolarHBondContact O-N 3.46Å; N313-E317 WeakPolarHBondContact O-CB 3.27Å; N313-E317 WeakPolarHBondContact O-CG 3.14Å; N313-E317 PolarHBondContact O-N 3.4Å
314	L	94.4	Very high	91.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-53.7	-51.2	176.3	-177.4	52.6	0	0	0	111	M301 F310 Y318 F349 L353 Y356 L441	M301-L314 HydrophobicContact CE-CB 3.44Å; M301-L314 VanDerWaalsContact CE-CB 3.44Å; M301-L314 HydrophobicContact CE-CD1 3.95Å; M301-L314 HydrophobicContact CE-CG 4.14Å; M301-L314 HydrophobicContact SD-CB 4.3Å; M301-L314 PolarHBondContact SD-N 3.35Å; M301-L314 VanDerWaalsContact SD-N 3.45Å; F310-L314 HydrophobicContact CE1-CD2 4.23Å; F310-L314 WeakPolarHBondContact O-CB 3.36Å; F310-L314 PolarHBondContact O-N 3.16Å; L314-Y318 WeakPolarHBondContact O-CB 3.38Å; L314-Y318 PolarHBondContact O-N 2.94Å; L314-F349 HydrophobicContact CD1-CD1 4.07Å; L314-F349 HydrophobicContact CD1-CE1 4.32Å; L314-L353 HydrophobicContact CD2-CD2 4.45Å; L314-Y356 HydrophobicContact CD2-CD2 3.73Å; L314-Y356 HydrophobicContact CD2-CE2 4.47Å; L314-Y356 HydrophobicContact CD2-CG 4.39Å; L314-L441 HydrophobicContact CB-CD1 4.46Å; L314-L441 HydrophobicContact CD2-CD1 3.91Å; L314-L441 HydrophobicContact CG-CD1 3.84Å; L314-L441 HydrophobicContact CG-CD2 4.13Å
315	Y	94.7	Very high	92	Very high	58 Å²	58	46.4 Å²	46.4	23%	0.227	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-47.5	179.2	175.4	-95.7	0	0	0	112.7	L311 T312 N313 R319 R437 L440	L311-Y315 WeakPolarHBondContact O-CB 3.36Å; L311-Y315 PolarHBondContact O-N 2.8Å; L311-Y315 VanDerWaalsContact O-N 3.11Å; T312-Y315 PolarHBondContact O-N 2.6Å; N313-Y315 VanDerWaalsContact C-N 3.32Å; N313-Y315 PolarHBondContact O-N 2.96Å; Y315-R319 WeakPolarHBondContact O-CB 3.17Å; Y315-R319 PolarHBondContact O-N 3.35Å; Y315-R319 VanDerWaalsContact O-N 3.11Å; Y315-R437 HydrophobicContact CD2-CB 4.34Å; Y315-R437 HydrophobicContact CD2-CG 3.76Å; Y315-R437 HydrophobicContact CG-CG 3.96Å; Y315-L440 HydrophobicContact CD2-CB 4.33Å; Y315-L440 HydrophobicContact CD2-CD2 3.59Å; Y315-L440 HydrophobicContact CE2-CB 4.05Å; Y315-L440 HydrophobicContact CE2-CD2 3.37Å; Y315-L440 HydrophobicContact CE2-CG 4.35Å
316	N	94.4	Very high	92.6	Very high	64 Å²	64	47.2 Å²	47.2	34%	0.342	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-46.3	-178	-72.7	-28.9	0	0	0	111.6	T312 N313 R319 N320	T312-N316 WeakPolarHBondContact O-CB 3.41Å; T312-N316 VanDerWaalsContact O-CG 3.25Å; T312-N316 PolarHBondContact O-N 3.23Å; T312-N316 PolarHBondContact O-ND2 3.48Å; N313-N316 PolarHBondContact O-N 3.46Å; N316-R319 PolarHBondContact O-N 3.44Å; N316-N320 WeakPolarHBondContact O-CB 3.26Å; N316-N320 PolarHBondContact O-N 3.29Å; N316-N320 PolarHBondContact O-ND2 2.89Å
317	E	93.6	Very high	92.8	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.065	23%	0.232	C	C	.	.	H	α-helix	trans	-70.3	-38.5	-179.2	-62.1	-49.1	155.7	0	0	112.1	Y296 L297 H300 N313 R319 N320 V321	Y296-E317 WeakPolarHBondContact CE1-OE2 3.28Å; Y296-E317 PolarHBondContact OH-OE1 2.97Å; Y296-E317 PolarHBondContact OH-OE2 3.45Å; Y296-E317 VanDerWaalsContact OH-OE2 3.08Å; L297-E317 HydrophobicContact CD2-CB 3.66Å; L297-E317 HydrophobicContact CD2-CG 4.1Å; H300-E317 HydrophobicContact CB-CG 4.41Å; H300-E317 IonicContact CE1-OE1 2.87Å; H300-E317 IonicContact ND1-OE1 3.25Å; H300-E317 PolarHBondContact ND1-OE1 3.03Å; N313-E317 WeakPolarHBondContact O-CB 3.27Å; N313-E317 WeakPolarHBondContact O-CG 3.14Å; N313-E317 PolarHBondContact O-N 3.4Å; E317-R319 VanDerWaalsContact C-N 3.32Å; E317-R319 PolarHBondContact O-N 2.98Å; E317-N320 PolarHBondContact O-N 3.38Å; E317-N320 PolarHBondContact OE2-ND2 3.03Å; E317-V321 VanDerWaalsContact O-CG2 3.31Å; E317-V321 WeakPolarHBondContact O-CG2 3.44Å; E317-V321 PolarHBondContact O-N 3.33Å
318	Y	95.7	Very high	93.1	Very high	36 Å²	36	43.2 Å²	43.2	14%	0.141	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-49.5	171.9	-172	-83.3	0	0	0	111.1	L314 N320 V321 E322 F345 F349 L353 L440 L441	L314-Y318 WeakPolarHBondContact O-CB 3.38Å; L314-Y318 PolarHBondContact O-N 2.94Å; Y318-N320 PolarHBondContact O-N 2.97Å; Y318-V321 PolarHBondContact O-N 2.99Å; Y318-E322 VanDerWaalsContact O-CB 3.25Å; Y318-E322 WeakPolarHBondContact O-CB 3.24Å; Y318-E322 PolarHBondContact O-N 2.98Å; Y318-F345 HydrophobicContact CD1-CZ 4.03Å; Y318-F345 HydrophobicContact CD2-CE1 4.45Å; Y318-F345 AromaticContact CD2-CZ 3.84Å; Y318-F345 HydrophobicContact CD2-CZ 3.84Å; Y318-F345 HydrophobicContact CE1-CE1 4.13Å; Y318-F345 AromaticContact CE1-CZ 3.7Å; Y318-F345 HydrophobicContact CE1-CZ 3.7Å; Y318-F345 AromaticContact CE2-CE1 3.67Å; Y318-F345 HydrophobicContact CE2-CE1 3.67Å; Y318-F345 AromaticContact CE2-CZ 3.48Å; Y318-F345 HydrophobicContact CE2-CZ 3.48Å; Y318-F345 VanDerWaalsContact CE2-CZ 3.48Å; Y318-F345 HydrophobicContact CG-CZ 4.1Å; Y318-F345 AromaticContact CZ-CE1 3.5Å; Y318-F345 VanDerWaalsContact CZ-CE1 3.5Å; Y318-F345 AromaticContact CZ-CZ 3.43Å; Y318-F345 VanDerWaalsContact CZ-CZ 3.43Å; Y318-F345 WeakPolarHBondContact OH-CE1 3.13Å; Y318-F349 VanDerWaalsContact CA-CZ 3.43Å; Y318-F349 HydrophobicContact CD2-CB 4.24Å; Y318-F349 AromaticContact CD2-CD1 3.82Å; Y318-F349 HydrophobicContact CD2-CD1 3.82Å; Y318-F349 AromaticContact CD2-CD2 3.97Å; Y318-F349 HydrophobicContact CD2-CD2 3.97Å; Y318-F349 HydrophobicContact CD2-CE1 4.16Å; Y318-F349 HydrophobicContact CD2-CE2 4.3Å; Y318-F349 AromaticContact CD2-CG 3.72Å; Y318-F349 HydrophobicContact CD2-CG 3.72Å; Y318-F349 HydrophobicContact CD2-CZ 4.4Å; Y318-F349 HydrophobicContact CE2-CB 4.34Å; Y318-F349 HydrophobicContact CE2-CD2 4.39Å; Y318-F349 HydrophobicContact CE2-CG 4.23Å; Y318-L353 HydrophobicContact CE2-CD1 4.14Å; Y318-L440 HydrophobicContact CD1-CD1 4.02Å; Y318-L440 HydrophobicContact CD1-CD2 3.92Å; Y318-L440 HydrophobicContact CD1-CG 3.74Å; Y318-L440 HydrophobicContact CE1-CD1 3.82Å; Y318-L440 HydrophobicContact CE1-CG 3.87Å; Y318-L441 HydrophobicContact CD1-CD2 4.05Å; Y318-L441 HydrophobicContact CD2-CD2 3.78Å; Y318-L441 HydrophobicContact CE2-CD2 4.41Å; Y318-L441 HydrophobicContact CG-CD2 3.55Å
319	R	94.9	Very high	93.1	Very high	114 Å²	114	41.6 Å²	41.6	43%	0.43	21%	0.208	S	C	.	.	H	α-helix	trans	-64.8	-38.1	178.5	-171.3	-178	-179.2	-144.5	4	112.9	Y315 N316 E317 K323 L440	Y315-R319 WeakPolarHBondContact O-CB 3.17Å; Y315-R319 PolarHBondContact O-N 3.35Å; Y315-R319 VanDerWaalsContact O-N 3.11Å; N316-R319 PolarHBondContact O-N 3.44Å; E317-R319 VanDerWaalsContact C-N 3.32Å; E317-R319 PolarHBondContact O-N 2.98Å; R319-K323 VanDerWaalsContact O-CG 3.28Å; R319-K323 WeakPolarHBondContact O-CG 3.46Å; R319-K323 PolarHBondContact O-N 3.44Å; R319-K323 VanDerWaalsContact O-N 3.08Å; R319-L440 HydrophobicContact CB-CD2 4.25Å
320	N	94.1	Very high	93.1	Very high	56 Å²	56	46.2 Å²	46.2	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-45	178.9	-72.3	-23.5	0	0	0	111.4	F256 N316 E317 Y318 K323 L324	F256-N320 HydrophobicContact CD2-CB 4.18Å; F256-N320 HydrophobicContact CE2-CB 3.56Å; F256-N320 HydrophobicContact CZ-CB 3.89Å; N316-N320 WeakPolarHBondContact O-CB 3.26Å; N316-N320 PolarHBondContact O-N 3.29Å; N316-N320 PolarHBondContact O-ND2 2.89Å; E317-N320 PolarHBondContact O-N 3.38Å; E317-N320 PolarHBondContact OE2-ND2 3.03Å; Y318-N320 PolarHBondContact O-N 2.97Å; N320-K323 PolarHBondContact O-N 2.83Å; N320-L324 PolarHBondContact O-N 2.57Å
321	V	93.9	Very high	92.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72.3	-35.4	179	-176.5	0	0	0	0	111.2	F256 F289 E317 Y318 K323 L324 V325 F345 L348 F349	F256-V321 HydrophobicContact CE1-CG2 4.05Å; F256-V321 HydrophobicContact CZ-CG2 4.13Å; F289-V321 HydrophobicContact CE1-CG1 4.46Å; E317-V321 VanDerWaalsContact O-CG2 3.31Å; E317-V321 WeakPolarHBondContact O-CG2 3.44Å; E317-V321 PolarHBondContact O-N 3.33Å; Y318-V321 PolarHBondContact O-N 2.99Å; V321-K323 VanDerWaalsContact C-N 3.34Å; V321-K323 PolarHBondContact O-N 2.93Å; V321-L324 WeakPolarHBondContact O-CB 3.21Å; V321-L324 PolarHBondContact O-N 3.23Å; V321-V325 HydrophobicContact CG1-CG2 4.47Å; V321-V325 WeakPolarHBondContact O-CG2 3.2Å; V321-V325 PolarHBondContact O-N 2.92Å; V321-F345 HydrophobicContact CB-CD2 4.36Å; V321-F345 HydrophobicContact CB-CE2 4.06Å; V321-F345 HydrophobicContact CG1-CD2 3.75Å; V321-F345 HydrophobicContact CG1-CE2 3.97Å; V321-L348 HydrophobicContact CG1-CD2 4.06Å; V321-F349 HydrophobicContact CB-CE2 3.84Å; V321-F349 HydrophobicContact CB-CZ 4.14Å; V321-F349 HydrophobicContact CG1-CE2 4.07Å; V321-F349 HydrophobicContact CG2-CE2 4.12Å; V321-F349 HydrophobicContact CG2-CZ 4.02Å
322	E	94.3	Very high	92.8	Very high	75 Å²	75	50.6 Å²	50.6	35%	0.35	25%	0.25	S	S	.	.	H	α-helix	trans	-59.2	-45.8	172.5	-178.8	-178.7	-134.4	0	0	111	Y318 L324 V325 V326 F345	Y318-E322 VanDerWaalsContact O-CB 3.25Å; Y318-E322 WeakPolarHBondContact O-CB 3.24Å; Y318-E322 PolarHBondContact O-N 2.98Å; E322-L324 VanDerWaalsContact C-N 3.34Å; E322-L324 PolarHBondContact O-N 3.35Å; E322-V325 PolarHBondContact O-N 3.32Å; E322-V326 WeakPolarHBondContact O-CG2 3.46Å; E322-V326 PolarHBondContact O-N 3.3Å; E322-F345 HydrophobicContact CB-CE2 4.05Å; E322-F345 HydrophobicContact CB-CZ 3.99Å
323	K	93.7	Very high	92.5	Very high	102 Å²	102	53.5 Å²	53.5	44%	0.443	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-42.8	173.5	-75	173.2	-179.4	178.6	0	112.4	R319 N320 V321 V325 V326 E327	R319-K323 VanDerWaalsContact O-CG 3.28Å; R319-K323 WeakPolarHBondContact O-CG 3.46Å; R319-K323 PolarHBondContact O-N 3.44Å; R319-K323 VanDerWaalsContact O-N 3.08Å; N320-K323 PolarHBondContact O-N 2.83Å; V321-K323 VanDerWaalsContact C-N 3.34Å; V321-K323 PolarHBondContact O-N 2.93Å; K323-V325 VanDerWaalsContact C-N 3.33Å; K323-V325 PolarHBondContact O-N 2.87Å; K323-V326 PolarHBondContact O-N 3.05Å; K323-E327 WeakPolarHBondContact O-CB 3.41Å; K323-E327 PolarHBondContact O-N 3.38Å
324	L	92.9	Very high	92	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-47.7	174.6	175.1	74.5	0	0	0	110.5	F256 I259 L293 N320 V321 E322 V326 E327 L328	F256-L324 HydrophobicContact CB-CD1 4.24Å; F256-L324 HydrophobicContact CD1-CB 4.01Å; F256-L324 HydrophobicContact CD1-CD1 4.17Å; F256-L324 HydrophobicContact CD1-CD2 3.82Å; F256-L324 HydrophobicContact CD1-CG 4.19Å; F256-L324 HydrophobicContact CE1-CD2 4.19Å; I259-L324 HydrophobicContact CB-CD1 4.48Å; I259-L324 HydrophobicContact CG2-CD1 4.16Å; L293-L324 HydrophobicContact CD1-CD2 4.17Å; N320-L324 PolarHBondContact O-N 2.57Å; V321-L324 WeakPolarHBondContact O-CB 3.21Å; V321-L324 PolarHBondContact O-N 3.23Å; E322-L324 VanDerWaalsContact C-N 3.34Å; E322-L324 PolarHBondContact O-N 3.35Å; L324-V326 VanDerWaalsContact C-N 3.32Å; L324-V326 PolarHBondContact O-N 2.84Å; L324-E327 PolarHBondContact O-N 3.35Å; L324-L328 HydrophobicContact CD1-CD1 3.97Å; L324-L328 HydrophobicContact CD1-CG 4.05Å; L324-L328 HydrophobicContact CD2-CD1 4.24Å; L324-L328 HydrophobicContact CG-CD1 3.77Å; L324-L328 HydrophobicContact CG-CG 4.19Å; L324-L328 WeakPolarHBondContact O-CB 3.36Å; L324-L328 WeakPolarHBondContact O-CG 3.43Å; L324-L328 PolarHBondContact O-N 3.41Å
325	V	92.5	Very high	91.3	Very high	15 Å²	15	53.1 Å²	53.1	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-43.4	-179.5	166.3	0	0	0	0	111.3	F289 V321 E322 K323 S329 L341 F345	F289-V325 HydrophobicContact CE1-CG2 4.33Å; F289-V325 HydrophobicContact CZ-CG2 4.04Å; V321-V325 HydrophobicContact CG1-CG2 4.47Å; V321-V325 WeakPolarHBondContact O-CG2 3.2Å; V321-V325 PolarHBondContact O-N 2.92Å; E322-V325 PolarHBondContact O-N 3.32Å; K323-V325 VanDerWaalsContact C-N 3.33Å; K323-V325 PolarHBondContact O-N 2.87Å; V325-S329 WeakPolarHBondContact O-CB 3.48Å; V325-S329 PolarHBondContact O-N 3.37Å; V325-L341 HydrophobicContact CG1-CB 3.87Å; V325-F345 HydrophobicContact CG2-CB 4.08Å; V325-F345 HydrophobicContact CG2-CD2 4Å; V325-F345 HydrophobicContact CG2-CG 4.34Å
326	V	92	Very high	90.2	Very high	77 Å²	77	56.2 Å²	56.2	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-44.1	176	174	0	0	0	0	111.4	E322 K323 L324 S329 N330	E322-V326 WeakPolarHBondContact O-CG2 3.46Å; E322-V326 PolarHBondContact O-N 3.3Å; K323-V326 PolarHBondContact O-N 3.05Å; L324-V326 VanDerWaalsContact C-N 3.32Å; L324-V326 PolarHBondContact O-N 2.84Å; V326-S329 PolarHBondContact O-N 3.13Å; V326-N330 VanDerWaalsContact O-CG 3.25Å; V326-N330 PolarHBondContact O-N 2.87Å; V326-N330 VanDerWaalsContact O-N 3.14Å; V326-N330 PolarHBondContact O-ND2 3.34Å
327	E	91.5	Very high	89.5	Confident	71 Å²	71	56.3 Å²	56.3	33%	0.332	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-45.6	177.6	-169.1	177.8	179.1	0	0	111.2	T260 K323 L324 S329 N330 E331	T260-E327 HydrophobicContact CG2-CG 3.91Å; K323-E327 WeakPolarHBondContact O-CB 3.41Å; K323-E327 PolarHBondContact O-N 3.38Å; L324-E327 PolarHBondContact O-N 3.35Å; E327-S329 PolarHBondContact O-N 3Å; E327-N330 PolarHBondContact O-N 3.29Å; E327-N330 VanDerWaalsContact O-N 3.14Å; E327-E331 HydrophobicContact CG-CG 4.36Å; E327-E331 WeakPolarHBondContact O-CB 3.47Å; E327-E331 WeakPolarHBondContact O-CG 3.37Å; E327-E331 PolarHBondContact O-N 2.97Å
328	L	91.6	Very high	88.8	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-38.5	176.6	-68.1	177.5	0	0	0	112.6	T260 L263 M285 L324 N330 L332 L341	T260-L328 HydrophobicContact CG2-CD2 4.07Å; L263-L328 HydrophobicContact CB-CD2 4.24Å; L263-L328 HydrophobicContact CD1-CD1 3.75Å; L263-L328 HydrophobicContact CD1-CD2 3.53Å; L263-L328 HydrophobicContact CD1-CG 4.33Å; M285-L328 HydrophobicContact CE-CD1 3.53Å; L324-L328 HydrophobicContact CD1-CD1 3.97Å; L324-L328 HydrophobicContact CD1-CG 4.05Å; L324-L328 HydrophobicContact CD2-CD1 4.24Å; L324-L328 HydrophobicContact CG-CD1 3.77Å; L324-L328 HydrophobicContact CG-CG 4.19Å; L324-L328 WeakPolarHBondContact O-CB 3.36Å; L324-L328 WeakPolarHBondContact O-CG 3.43Å; L324-L328 PolarHBondContact O-N 3.41Å; L328-N330 PolarHBondContact O-N 2.77Å; L328-L332 HydrophobicContact CB-CD1 4.12Å; L328-L332 HydrophobicContact CD2-CD1 4.08Å; L328-L332 VanDerWaalsContact O-CB 3.27Å; L328-L332 WeakPolarHBondContact O-CB 3.45Å; L328-L332 WeakPolarHBondContact O-CG 3.38Å; L328-L332 PolarHBondContact O-N 3.46Å; L328-L341 HydrophobicContact CB-CD1 4.2Å
329	S	89.7	Confident	88.3	Confident	41 Å²	41	63.3 Å²	63.3	29%	0.287	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-24.2	175.4	-171.2	0	0	0	0	113	V325 V326 E327	V325-S329 WeakPolarHBondContact O-CB 3.48Å; V325-S329 PolarHBondContact O-N 3.37Å; V326-S329 PolarHBondContact O-N 3.13Å; E327-S329 PolarHBondContact O-N 3Å
330	N	89.5	Confident	87.9	Confident	125 Å²	125	61.2 Å²	61.2	67%	0.668	33%	0.328	S	S	*	.	H	α-helix	trans	-91.2	-35.2	179.6	-68.3	-26.6	0	0	0	112.5	V326 E327 L328	V326-N330 VanDerWaalsContact O-CG 3.25Å; V326-N330 PolarHBondContact O-N 2.87Å; V326-N330 VanDerWaalsContact O-N 3.14Å; V326-N330 PolarHBondContact O-ND2 3.34Å; E327-N330 PolarHBondContact O-N 3.29Å; E327-N330 VanDerWaalsContact O-N 3.14Å; L328-N330 PolarHBondContact O-N 2.77Å
331	E	89.6	Confident	87.7	Confident	112 Å²	112	58.6 Å²	58.6	52%	0.523	31%	0.314	S	S	.	.	H	α-helix	trans	-90.9	-28.4	-173.9	-66.3	-69.3	153.6	0	0	113.5	T260 V264 E327	T260-E331 HydrophobicContact CG2-CB 4.47Å; T260-E331 HydrophobicContact CG2-CG 4.3Å; V264-E331 HydrophobicContact CG2-CB 3.92Å; E327-E331 HydrophobicContact CG-CG 4.36Å; E327-E331 WeakPolarHBondContact O-CB 3.47Å; E327-E331 WeakPolarHBondContact O-CG 3.37Å; E327-E331 PolarHBondContact O-N 2.97Å
332	L	89	Confident	87.5	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.037	33%	0.329	C	S	.	.			trans	-87.2	125.4	179.8	-62.4	172.9	0	0	0	110.9	L263 V264 E267 L281 L328 I335	L263-L332 HydrophobicContact CB-CD2 4.3Å; V264-L332 HydrophobicContact CG2-CD2 3.97Å; E267-L332 HydrophobicContact CB-CD2 4.11Å; E267-L332 WeakPolarHBondContact OE2-CD2 3.31Å; L281-L332 HydrophobicContact CD2-CD1 4.46Å; L328-L332 HydrophobicContact CB-CD1 4.12Å; L328-L332 HydrophobicContact CD2-CD1 4.08Å; L328-L332 VanDerWaalsContact O-CB 3.27Å; L328-L332 WeakPolarHBondContact O-CB 3.45Å; L328-L332 WeakPolarHBondContact O-CG 3.38Å; L328-L332 PolarHBondContact O-N 3.46Å; L332-I335 HydrophobicContact CB-CD1 4.05Å; L332-I335 HydrophobicContact CB-CG1 4.1Å; L332-I335 HydrophobicContact CD1-CD1 3.46Å; L332-I335 VanDerWaalsContact CD1-CD1 3.46Å; L332-I335 HydrophobicContact CD1-CG1 4.29Å; L332-I335 HydrophobicContact CG-CD1 4.4Å
333	T	86.3	Confident	87.4	Confident	111 Å²	111	63.3 Å²	63.3	68%	0.681	34%	0.339	S	S	*	.	S	Bend	trans	-80.4	-25.9	-176.8	61.6	0	0	0	0	114	E267	E267-T333 WeakPolarHBondContact OE1-CA 3.33Å; E267-T333 PolarHBondContact OE1-N 3.18Å; E267-T333 PolarHBondContact OE1-OG1 3Å; E267-T333 PolarHBondContact OE2-N 2.92Å
334	L	84.4	Confident	87.4	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.094	32%	0.321	C	S	.	.	S	Bend	trans	-82.6	-20.6	-175.2	-80.3	-177.1	0	0	0	115	E267 M271 P277 D278 L281 T336	E267-L334 HydrophobicContact CG-CD1 3.88Å; E267-L334 HydrophobicContact CG-CG 4.12Å; E267-L334 WeakPolarHBondContact OE1-CB 3.25Å; E267-L334 WeakPolarHBondContact OE1-CG 3.38Å; E267-L334 PolarHBondContact OE1-N 3.49Å; M271-L334 HydrophobicContact CE-CD1 3.61Å; M271-L334 HydrophobicContact CE-CD2 2.9Å; M271-L334 HydrophobicContact CE-CG 3.25Å; M271-L334 HydrophobicContact SD-CD2 4.46Å; P277-L334 HydrophobicContact CB-CD1 3.73Å; P277-L334 HydrophobicContact CG-CD1 4.31Å; P277-L334 HydrophobicContact CG-CD2 4.23Å; D278-L334 WeakPolarHBondContact OD1-CD2 3.1Å; L281-L334 HydrophobicContact CB-CD1 4.27Å; L281-L334 HydrophobicContact CD2-CB 3.66Å; L281-L334 HydrophobicContact CD2-CD1 3.95Å; L281-L334 HydrophobicContact CD2-CG 4.41Å; L334-T336 VanDerWaalsContact C-N 3.34Å; L334-T336 PolarHBondContact O-N 2.98Å
335	I	78.2	Confident	87.5	Confident	17 Å²	17	60 Å²	60	9%	0.087	33%	0.325	C	S	.	.			trans	-80.4	90.5	-179.3	-57.8	-174.8	0	0	0	107.6	L281 L332 L341	L281-I335 HydrophobicContact CD2-CG1 4.1Å; L332-I335 HydrophobicContact CB-CD1 4.05Å; L332-I335 HydrophobicContact CB-CG1 4.1Å; L332-I335 HydrophobicContact CD1-CD1 3.46Å; L332-I335 VanDerWaalsContact CD1-CD1 3.46Å; L332-I335 HydrophobicContact CD1-CG1 4.29Å; L332-I335 HydrophobicContact CG-CD1 4.4Å; I335-L341 HydrophobicContact CD1-CD1 3.78Å; I335-L341 HydrophobicContact CD1-CD2 3.89Å; I335-L341 HydrophobicContact CD1-CG 3.99Å; I335-L341 HydrophobicContact CG2-CD1 4.21Å; I335-L341 HydrophobicContact CG2-CG 4.21Å
336	T	72.7	Confident	87.5	Confident	123 Å²	123	67.4 Å²	67.4	76%	0.755	35%	0.352	S	S	*	.			trans	-79	-29.7	179.4	47.1	0	0	0	0	112.8	L334	L334-T336 VanDerWaalsContact C-N 3.34Å; L334-T336 PolarHBondContact O-N 2.98Å
337	D	79.7	Confident	87.6	Confident	67 Å²	67	68.4 Å²	68.4	36%	0.358	35%	0.351	S	S	.	.			trans	-111.3	107.3	179.9	-179.4	13.4	0	0	0	111.9	M339 Q340	D337-M339 PolarHBondContact O-N 3.47Å; D337-M339 VanDerWaalsContact O-N 3.13Å; D337-M339 WeakPolarHBondContact OD1-CB 3.42Å; D337-M339 WeakPolarHBondContact OD1-CG 3.48Å; D337-M339 PolarHBondContact OD1-N 3.39Å; D337-Q340 HydrophobicContact CB-CG 4.13Å; D337-Q340 WeakPolarHBondContact O-CB 3.26Å; D337-Q340 PolarHBondContact O-N 3.29Å; D337-Q340 VanDerWaalsContact O-N 3.16Å
338	P	78.3	Confident	87.8	Confident	69 Å²	69	65.7 Å²	65.7	45%	0.448	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-15.4	178.2	25.6	-32.9	0	0	0	113.5	Q340 S342	P338-Q340 PolarHBondContact O-N 2.89Å; P338-S342 PolarHBondContact O-N 3.47Å; P338-S342 PolarHBondContact O-OG 2.93Å
339	M	85.4	Confident	88	Confident	127 Å²	127	65.8 Å²	65.8	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-65.7	-26.6	175.5	-64.2	-71.4	163.3	0	0	112.2	D337 S342 K343	D337-M339 PolarHBondContact O-N 3.47Å; D337-M339 VanDerWaalsContact O-N 3.13Å; D337-M339 WeakPolarHBondContact OD1-CB 3.42Å; D337-M339 WeakPolarHBondContact OD1-CG 3.48Å; D337-M339 PolarHBondContact OD1-N 3.39Å; M339-S342 PolarHBondContact O-N 2.87Å; M339-K343 WeakPolarHBondContact O-CB 3.4Å; M339-K343 PolarHBondContact O-N 3.48Å
340	Q	87.3	Confident	88.2	Confident	70 Å²	70	66 Å²	66	33%	0.327	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-47.2	-179	-64.9	-178.9	-3.8	0	0	111.9	M282 D337 P338 K343 L344	M282-Q340 HydrophobicContact CE-CB 3.72Å; M282-Q340 HydrophobicContact CE-CG 4.39Å; M282-Q340 HydrophobicContact SD-CB 4.28Å; M282-Q340 PolarHBondContact SD-OE1 3.45Å; D337-Q340 HydrophobicContact CB-CG 4.13Å; D337-Q340 WeakPolarHBondContact O-CB 3.26Å; D337-Q340 PolarHBondContact O-N 3.29Å; D337-Q340 VanDerWaalsContact O-N 3.16Å; P338-Q340 PolarHBondContact O-N 2.89Å; Q340-K343 PolarHBondContact O-N 3.31Å; Q340-L344 PolarHBondContact O-N 2.88Å
341	L	89.3	Confident	88.3	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-68.4	-39	175.2	-65.1	-178.7	0	0	0	111.7	M285 V325 L328 I335 K343 L344 F345	M285-L341 HydrophobicContact CE-CD2 3.33Å; V325-L341 HydrophobicContact CG1-CB 3.87Å; L328-L341 HydrophobicContact CB-CD1 4.2Å; I335-L341 HydrophobicContact CD1-CD1 3.78Å; I335-L341 HydrophobicContact CD1-CD2 3.89Å; I335-L341 HydrophobicContact CD1-CG 3.99Å; I335-L341 HydrophobicContact CG2-CD1 4.21Å; I335-L341 HydrophobicContact CG2-CG 4.21Å; L341-K343 PolarHBondContact O-N 2.99Å; L341-L344 PolarHBondContact O-N 3.14Å; L341-F345 WeakPolarHBondContact O-CB 3.27Å; L341-F345 PolarHBondContact O-N 2.83Å
342	S	90.2	Very high	88.4	Confident	47 Å²	47	60.8 Å²	60.8	33%	0.329	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-34.8	176.5	-57.9	0	0	0	0	112.1	P338 M339 R346	P338-S342 PolarHBondContact O-N 3.47Å; P338-S342 PolarHBondContact O-OG 2.93Å; M339-S342 PolarHBondContact O-N 2.87Å; S342-R346 WeakPolarHBondContact O-CB 3.35Å; S342-R346 PolarHBondContact O-N 3.2Å
343	K	92.6	Very high	88.6	Confident	128 Å²	128	62.1 Å²	62.1	56%	0.557	33%	0.328	S	S	*	.	H	α-helix	trans	-67.3	-49.7	174.7	-178.8	179.1	172	-178.5	0	111.7	M339 Q340 L341 F345 R346 E347	M339-K343 WeakPolarHBondContact O-CB 3.4Å; M339-K343 PolarHBondContact O-N 3.48Å; Q340-K343 PolarHBondContact O-N 3.31Å; L341-K343 PolarHBondContact O-N 2.99Å; K343-F345 VanDerWaalsContact C-N 3.29Å; K343-F345 PolarHBondContact O-N 3.4Å; K343-R346 PolarHBondContact O-N 3.29Å; K343-E347 WeakPolarHBondContact CE-OE1 3.22Å; K343-E347 IonicContact NZ-OE1 3.88Å; K343-E347 WeakPolarHBondContact O-CG 3.35Å; K343-E347 PolarHBondContact O-N 3.26Å
344	L	93.3	Very high	88.8	Confident	13 Å²	13	62.3 Å²	62.3	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-41.2	177.4	-67.4	176.2	0	0	0	111.7	M282 M285 H286 F289 Q340 L341 E347 L348	M282-L344 HydrophobicContact CE-CD1 4.39Å; M285-L344 HydrophobicContact CB-CD1 4.05Å; H286-L344 HydrophobicContact CB-CD2 4.31Å; H286-L344 WeakPolarHBondContact ND1-CD2 3.33Å; F289-L344 HydrophobicContact CD1-CB 3.7Å; F289-L344 HydrophobicContact CD2-CD1 4.35Å; F289-L344 HydrophobicContact CE1-CB 4.03Å; F289-L344 HydrophobicContact CG-CB 4.03Å; F289-L344 HydrophobicContact CG-CD1 4.39Å; Q340-L344 PolarHBondContact O-N 2.88Å; L341-L344 PolarHBondContact O-N 3.14Å; L344-E347 PolarHBondContact O-N 3.03Å; L344-L348 VanDerWaalsContact O-CB 3.31Å; L344-L348 WeakPolarHBondContact O-CB 3.46Å; L344-L348 PolarHBondContact O-N 2.63Å
345	F	94.1	Very high	89	Confident	21 Å²	21	66.1 Å²	66.1	9%	0.092	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-47.7	174.2	177.4	-102.1	0	0	0	112.2	Y318 V321 E322 V325 L341 K343 L348 F349	Y318-F345 HydrophobicContact CD1-CZ 4.03Å; Y318-F345 HydrophobicContact CD2-CE1 4.45Å; Y318-F345 AromaticContact CD2-CZ 3.84Å; Y318-F345 HydrophobicContact CD2-CZ 3.84Å; Y318-F345 HydrophobicContact CE1-CE1 4.13Å; Y318-F345 AromaticContact CE1-CZ 3.7Å; Y318-F345 HydrophobicContact CE1-CZ 3.7Å; Y318-F345 AromaticContact CE2-CE1 3.67Å; Y318-F345 HydrophobicContact CE2-CE1 3.67Å; Y318-F345 AromaticContact CE2-CZ 3.48Å; Y318-F345 HydrophobicContact CE2-CZ 3.48Å; Y318-F345 VanDerWaalsContact CE2-CZ 3.48Å; Y318-F345 HydrophobicContact CG-CZ 4.1Å; Y318-F345 AromaticContact CZ-CE1 3.5Å; Y318-F345 VanDerWaalsContact CZ-CE1 3.5Å; Y318-F345 AromaticContact CZ-CZ 3.43Å; Y318-F345 VanDerWaalsContact CZ-CZ 3.43Å; Y318-F345 WeakPolarHBondContact OH-CE1 3.13Å; V321-F345 HydrophobicContact CB-CD2 4.36Å; V321-F345 HydrophobicContact CB-CE2 4.06Å; V321-F345 HydrophobicContact CG1-CD2 3.75Å; V321-F345 HydrophobicContact CG1-CE2 3.97Å; E322-F345 HydrophobicContact CB-CE2 4.05Å; E322-F345 HydrophobicContact CB-CZ 3.99Å; V325-F345 HydrophobicContact CG2-CB 4.08Å; V325-F345 HydrophobicContact CG2-CD2 4Å; V325-F345 HydrophobicContact CG2-CG 4.34Å; L341-F345 WeakPolarHBondContact O-CB 3.27Å; L341-F345 PolarHBondContact O-N 2.83Å; K343-F345 VanDerWaalsContact C-N 3.29Å; K343-F345 PolarHBondContact O-N 3.4Å; F345-L348 WeakPolarHBondContact O-CB 3.43Å; F345-L348 PolarHBondContact O-N 3.33Å; F345-F349 HydrophobicContact CD2-CD2 4.08Å; F345-F349 HydrophobicContact CD2-CE2 4.06Å; F345-F349 AromaticContact CE2-CD2 3.74Å; F345-F349 HydrophobicContact CE2-CD2 3.74Å; F345-F349 AromaticContact CE2-CE2 3.58Å; F345-F349 HydrophobicContact CE2-CE2 3.58Å; F345-F349 HydrophobicContact CZ-CD2 4.05Å; F345-F349 HydrophobicContact CZ-CE2 4.2Å; F345-F349 PolarHBondContact O-N 3.27Å
346	R	92.9	Very high	89.7	Confident	171 Å²	171	65.5 Å²	65.5	65%	0.645	35%	0.346	S	S	*	.	H	α-helix	trans	-63.6	-44.1	178.8	-170	-175.9	-54.5	-179	3.8	112.1	S342 K343 L348 F349 A350	S342-R346 WeakPolarHBondContact O-CB 3.35Å; S342-R346 PolarHBondContact O-N 3.2Å; K343-R346 PolarHBondContact O-N 3.29Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3Å; R346-F349 PolarHBondContact O-N 3.22Å; R346-A350 VanDerWaalsContact O-CB 3.31Å; R346-A350 WeakPolarHBondContact O-CB 3.42Å; R346-A350 PolarHBondContact O-N 3.13Å
347	E	94.4	Very high	90.7	Very high	97 Å²	97	61.4 Å²	61.4	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-63	-35.5	177.7	-73.4	174.1	-179.8	0	0	112	K343 L344	K343-E347 WeakPolarHBondContact CE-OE1 3.22Å; K343-E347 IonicContact NZ-OE1 3.88Å; K343-E347 WeakPolarHBondContact O-CG 3.35Å; K343-E347 PolarHBondContact O-N 3.26Å; L344-E347 PolarHBondContact O-N 3.03Å
348	L	95.2	Very high	91.4	Very high	14 Å²	14	64.8 Å²	64.8	7%	0.073	33%	0.33	C	S	.	.	H	α-helix	trans	-65.7	-42	178.2	-178.6	65.4	0	0	0	112.6	F289 L293 K294 L297 V321 L344 F345 R346	F289-L348 HydrophobicContact CD1-CB 4.49Å; F289-L348 HydrophobicContact CD1-CD2 4.03Å; F289-L348 HydrophobicContact CE1-CD2 4.37Å; L293-L348 HydrophobicContact CB-CD1 4.33Å; L293-L348 HydrophobicContact CB-CD2 4.03Å; L293-L348 HydrophobicContact CD1-CD2 4.41Å; K294-L348 HydrophobicContact CB-CD1 4.01Å; L297-L348 HydrophobicContact CD1-CD1 3.7Å; L297-L348 HydrophobicContact CD1-CD2 3.73Å; L297-L348 HydrophobicContact CD1-CG 3.45Å; L297-L348 VanDerWaalsContact CD1-CG 3.45Å; V321-L348 HydrophobicContact CG1-CD2 4.06Å; L344-L348 VanDerWaalsContact O-CB 3.31Å; L344-L348 WeakPolarHBondContact O-CB 3.46Å; L344-L348 PolarHBondContact O-N 2.63Å; F345-L348 WeakPolarHBondContact O-CB 3.43Å; F345-L348 PolarHBondContact O-N 3.33Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3Å
349	F	95.4	Very high	92.1	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.009	33%	0.326	C	S	.	.	H	α-helix	trans	-93.4	-16.4	-178.3	-76.7	-80.3	0	0	0	114.9	L297 L314 Y318 V321 F345 R346 P351 Y352 L353	L297-F349 HydrophobicContact CD1-CD1 4.39Å; L297-F349 HydrophobicContact CD1-CE1 3.86Å; L297-F349 HydrophobicContact CD1-CE2 4.21Å; L297-F349 HydrophobicContact CD1-CZ 3.74Å; L297-F349 HydrophobicContact CD2-CE1 4.29Å; L297-F349 HydrophobicContact CD2-CZ 4.13Å; L314-F349 HydrophobicContact CD1-CD1 4.07Å; L314-F349 HydrophobicContact CD1-CE1 4.32Å; Y318-F349 VanDerWaalsContact CA-CZ 3.43Å; Y318-F349 HydrophobicContact CD2-CB 4.24Å; Y318-F349 AromaticContact CD2-CD1 3.82Å; Y318-F349 HydrophobicContact CD2-CD1 3.82Å; Y318-F349 AromaticContact CD2-CD2 3.97Å; Y318-F349 HydrophobicContact CD2-CD2 3.97Å; Y318-F349 HydrophobicContact CD2-CE1 4.16Å; Y318-F349 HydrophobicContact CD2-CE2 4.3Å; Y318-F349 AromaticContact CD2-CG 3.72Å; Y318-F349 HydrophobicContact CD2-CG 3.72Å; Y318-F349 HydrophobicContact CD2-CZ 4.4Å; Y318-F349 HydrophobicContact CE2-CB 4.34Å; Y318-F349 HydrophobicContact CE2-CD2 4.39Å; Y318-F349 HydrophobicContact CE2-CG 4.23Å; V321-F349 HydrophobicContact CB-CE2 3.84Å; V321-F349 HydrophobicContact CB-CZ 4.14Å; V321-F349 HydrophobicContact CG1-CE2 4.07Å; V321-F349 HydrophobicContact CG2-CE2 4.12Å; V321-F349 HydrophobicContact CG2-CZ 4.02Å; F345-F349 HydrophobicContact CD2-CD2 4.08Å; F345-F349 HydrophobicContact CD2-CE2 4.06Å; F345-F349 AromaticContact CE2-CD2 3.74Å; F345-F349 HydrophobicContact CE2-CD2 3.74Å; F345-F349 AromaticContact CE2-CE2 3.58Å; F345-F349 HydrophobicContact CE2-CE2 3.58Å; F345-F349 HydrophobicContact CZ-CD2 4.05Å; F345-F349 HydrophobicContact CZ-CE2 4.2Å; F345-F349 PolarHBondContact O-N 3.27Å; R346-F349 PolarHBondContact O-N 3.22Å; F349-P351 VanDerWaalsContact C-CD 3.43Å; F349-Y352 HydrophobicContact CD1-CD2 4.44Å; F349-Y352 PolarHBondContact O-N 3.23Å; F349-L353 HydrophobicContact CB-CD1 3.99Å; F349-L353 HydrophobicContact CB-CG 4.25Å; F349-L353 WeakPolarHBondContact O-CG 3.39Å; F349-L353 PolarHBondContact O-N 3.42Å
350	A	94	Very high	92.6	Very high	46 Å²	46	59.2 Å²	59.2	38%	0.38	30%	0.297	S	S	.	.	H	α-helix	trans	-41.8	-51.5	178.7	0	0	0	0	0	114.6	R346 Y352 L353 V354	R346-A350 VanDerWaalsContact O-CB 3.31Å; R346-A350 WeakPolarHBondContact O-CB 3.42Å; R346-A350 PolarHBondContact O-N 3.13Å; A350-Y352 PolarHBondContact O-N 3.16Å; A350-L353 PolarHBondContact O-N 2.76Å; A350-V354 WeakPolarHBondContact O-CG2 3.46Å; A350-V354 PolarHBondContact O-N 3.17Å
351	P	92.5	Very high	93	Very high	86 Å²	86	56.8 Å²	56.8	56%	0.558	29%	0.287	S	S	*	.	H	α-helix	trans	-64.4	-25.3	-178	25.3	-35.3	0	0	0	114.2	F349	F349-P351 VanDerWaalsContact C-CD 3.43Å
352	Y	92	Very high	93.3	Very high	42 Å²	42	61.1 Å²	61.1	17%	0.165	31%	0.31	C	S	.	.	H	α-helix	trans	-89.8	-19.3	-179	-52.6	-76.1	0	0	0	112.8	L297 S298 M301 F349 A350	L297-Y352 HydrophobicContact CB-CE2 4.3Å; L297-Y352 HydrophobicContact CD1-CE2 4.32Å; S298-Y352 PolarHBondContact N-OH 3.44Å; M301-Y352 HydrophobicContact CB-CD1 4.2Å; M301-Y352 HydrophobicContact CB-CE1 3.73Å; M301-Y352 HydrophobicContact CE-CD1 4.43Å; M301-Y352 HydrophobicContact CG-CD1 4.5Å; M301-Y352 HydrophobicContact CG-CE1 4.28Å; F349-Y352 HydrophobicContact CD1-CD2 4.44Å; F349-Y352 PolarHBondContact O-N 3.23Å; A350-Y352 PolarHBondContact O-N 3.16Å
353	L	93.3	Very high	93.5	Very high	35 Å²	35	59.8 Å²	59.8	18%	0.183	30%	0.298	C	S	.	.	H	α-helix	trans	-92.4	-15.2	-176.4	-65.2	179.3	0	0	0	113.9	L314 Y318 F349 A350 D355 L441	L314-L353 HydrophobicContact CD2-CD2 4.45Å; Y318-L353 HydrophobicContact CE2-CD1 4.14Å; F349-L353 HydrophobicContact CB-CD1 3.99Å; F349-L353 HydrophobicContact CB-CG 4.25Å; F349-L353 WeakPolarHBondContact O-CG 3.39Å; F349-L353 PolarHBondContact O-N 3.42Å; A350-L353 PolarHBondContact O-N 2.76Å; L353-D355 PolarHBondContact O-N 2.8Å; L353-L441 HydrophobicContact CD2-CB 4.11Å; L353-L441 HydrophobicContact CD2-CD2 4.28Å
354	V	90.5	Very high	93.7	Very high	114 Å²	114	53.7 Å²	53.7	69%	0.691	27%	0.272	S	S	*	.	S	Bend	trans	-59.1	-49.3	-177.9	-179.8	0	0	0	0	111.6	A350	A350-V354 WeakPolarHBondContact O-CG2 3.46Å; A350-V354 PolarHBondContact O-N 3.17Å
355	D	87.4	Confident	93.9	Very high	98 Å²	98	55.3 Å²	55.3	52%	0.524	28%	0.282	S	S	.	.	S	Bend	trans	-103.6	5.9	-176.5	-66.2	-49	0	0	0	113.5	L353 M357 K358 Q359	L353-D355 PolarHBondContact O-N 2.8Å; D355-M357 PolarHBondContact O-N 3.07Å; D355-K358 WeakPolarHBondContact O-CB 3.01Å; D355-K358 PolarHBondContact O-N 3.42Å; D355-K358 VanDerWaalsContact O-N 3.13Å; D355-Q359 PolarHBondContact O-N 2.74Å
356	Y	93.1	Very high	94	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-51.8	-51.4	-175	158.1	-104.1	0	0	0	112.3	L311 L314 K358 Q359 E360 R437 C438 L441	L311-Y356 HydrophobicContact CD2-CD2 3.95Å; L311-Y356 HydrophobicContact CD2-CE2 3.9Å; L314-Y356 HydrophobicContact CD2-CD2 3.73Å; L314-Y356 HydrophobicContact CD2-CE2 4.47Å; L314-Y356 HydrophobicContact CD2-CG 4.39Å; Y356-K358 VanDerWaalsContact C-N 3.28Å; Y356-K358 PolarHBondContact O-N 3.19Å; Y356-Q359 PolarHBondContact O-N 3.31Å; Y356-E360 HydrophobicContact CE2-CB 4.1Å; Y356-E360 HydrophobicContact CE2-CG 4.41Å; Y356-E360 WeakPolarHBondContact CE2-OE2 3.31Å; Y356-E360 WeakPolarHBondContact O-CB 3.28Å; Y356-E360 PolarHBondContact O-N 3.01Å; Y356-E360 PolarHBondContact OH-OE2 3.46Å; Y356-R437 WeakPolarHBondContact OH-CB 3.35Å; Y356-R437 PolarHBondContact OH-O 2.84Å; Y356-C438 VanDerWaalsContact OH-CA 3.26Å; Y356-C438 WeakPolarHBondContact OH-CA 3.42Å; Y356-C438 PolarHBondContact OH-N 2.95Å; Y356-C438 PolarHBondContact OH-SG 2.93Å; Y356-L441 HydrophobicContact CD1-CB 4.05Å; Y356-L441 HydrophobicContact CD2-CB 4.41Å; Y356-L441 HydrophobicContact CD2-CD1 3.94Å; Y356-L441 HydrophobicContact CE1-CB 3.77Å; Y356-L441 HydrophobicContact CE2-CB 4.12Å; Y356-L441 HydrophobicContact CE2-CD1 3.44Å; Y356-L441 VanDerWaalsContact CE2-CD1 3.44Å; Y356-L441 HydrophobicContact CE2-CG 4.42Å; Y356-L441 HydrophobicContact CG-CB 4.38Å
357	M	94.4	Very high	94.1	Very high	38 Å²	38	57.9 Å²	57.9	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-33.1	-175	-174.9	59	-169.2	0	0	112	D355 S361 N450 F453	D355-M357 PolarHBondContact O-N 3.07Å; M357-S361 VanDerWaalsContact O-CB 3.28Å; M357-S361 WeakPolarHBondContact O-CB 3.47Å; M357-S361 PolarHBondContact O-N 2.95Å; M357-S361 PolarHBondContact O-OG 3.14Å; M357-N450 HydrophobicContact CE-CB 3.72Å; M357-N450 WeakPolarHBondContact CE-OD1 3.38Å; M357-N450 WeakPolarHBondContact CG-OD1 3.31Å; M357-N450 HydrophobicContact SD-CB 3.97Å; M357-F453 HydrophobicContact CE-CB 4.23Å; M357-F453 HydrophobicContact CE-CD1 3.56Å; M357-F453 HydrophobicContact CE-CE1 4.2Å; M357-F453 HydrophobicContact CE-CG 4.04Å
358	K	93.8	Very high	94.3	Very high	137 Å²	137	53.3 Å²	53.3	60%	0.596	28%	0.276	S	S	*	.	H	α-helix	trans	-65	-48.8	174.8	-176.8	-177.4	175.7	-173.1	0	110.4	D355 Y356 E360 S361 D362	D355-K358 WeakPolarHBondContact O-CB 3.01Å; D355-K358 PolarHBondContact O-N 3.42Å; D355-K358 VanDerWaalsContact O-N 3.13Å; Y356-K358 VanDerWaalsContact C-N 3.28Å; Y356-K358 PolarHBondContact O-N 3.19Å; K358-E360 VanDerWaalsContact C-N 3.35Å; K358-E360 PolarHBondContact O-N 3.38Å; K358-S361 PolarHBondContact O-N 3.17Å; K358-D362 WeakPolarHBondContact O-CB 3.48Å; K358-D362 VanDerWaalsContact O-CG 3.27Å; K358-D362 PolarHBondContact O-N 2.78Å
359	Q	93	Very high	94.3	Very high	77 Å²	77	54.6 Å²	54.6	36%	0.36	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-42.3	177.5	-68.1	177.5	-27	0	0	112.4	L311 D355 Y356 W363	L311-Q359 HydrophobicContact CD2-CB 4.48Å; D355-Q359 PolarHBondContact O-N 2.74Å; Y356-Q359 PolarHBondContact O-N 3.31Å; Q359-W363 WeakPolarHBondContact O-CB 3.39Å; Q359-W363 PolarHBondContact O-N 2.93Å
360	E	95.5	Very high	94.3	Very high	2 Å²	2	56 Å²	56	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-42.1	176.3	-173.8	71.2	-130.9	0	0	111.3	L311 Y356 K358 L364 A434 R437	L311-E360 HydrophobicContact CD2-CB 4.45Å; Y356-E360 HydrophobicContact CE2-CB 4.1Å; Y356-E360 HydrophobicContact CE2-CG 4.41Å; Y356-E360 WeakPolarHBondContact CE2-OE2 3.31Å; Y356-E360 WeakPolarHBondContact O-CB 3.28Å; Y356-E360 PolarHBondContact O-N 3.01Å; Y356-E360 PolarHBondContact OH-OE2 3.46Å; K358-E360 VanDerWaalsContact C-N 3.35Å; K358-E360 PolarHBondContact O-N 3.38Å; E360-L364 WeakPolarHBondContact O-CB 3.11Å; E360-L364 PolarHBondContact O-N 2.85Å; E360-A434 WeakPolarHBondContact OE1-CA 3.1Å; E360-A434 VanDerWaalsContact OE1-CB 3.23Å; E360-A434 WeakPolarHBondContact OE1-CB 3.1Å; E360-R437 IonicContact OE1-CZ 3.41Å; E360-R437 IonicContact OE1-NE 3.76Å; E360-R437 PolarHBondContact OE1-NE 2.74Å; E360-R437 IonicContact OE1-NH2 2.95Å; E360-R437 PolarHBondContact OE1-NH2 2.92Å; E360-R437 IonicContact OE2-CZ 2.7Å; E360-R437 IonicContact OE2-NE 3.39Å; E360-R437 PolarHBondContact OE2-NE 3.21Å; E360-R437 IonicContact OE2-NH2 3.83Å
361	S	95.7	Very high	94.4	Very high	19 Å²	19	54.9 Å²	54.9	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-47.6	178.8	-59.2	0	0	0	0	112.4	M357 K358 T365 F453	M357-S361 VanDerWaalsContact O-CB 3.28Å; M357-S361 WeakPolarHBondContact O-CB 3.47Å; M357-S361 PolarHBondContact O-N 2.95Å; M357-S361 PolarHBondContact O-OG 3.14Å; K358-S361 PolarHBondContact O-N 3.17Å; S361-T365 VanDerWaalsContact O-CB 3.31Å; S361-T365 WeakPolarHBondContact O-CB 3.28Å; S361-T365 PolarHBondContact O-N 3.17Å; S361-T365 PolarHBondContact O-OG1 3.21Å; S361-F453 VanDerWaalsContact CB-CZ 3.44Å; S361-F453 WeakPolarHBondContact OG-CE1 3.39Å
362	D	95.7	Very high	94.4	Very high	92 Å²	92	51.1 Å²	51.1	49%	0.492	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-49.1	179.2	-67.9	-18.9	0	0	0	109.9	K358 L364 T365 E366	K358-D362 WeakPolarHBondContact O-CB 3.48Å; K358-D362 VanDerWaalsContact O-CG 3.27Å; K358-D362 PolarHBondContact O-N 2.78Å; D362-L364 PolarHBondContact O-N 2.84Å; D362-T365 PolarHBondContact O-N 2.85Å; D362-E366 WeakPolarHBondContact O-CB 3.34Å; D362-E366 PolarHBondContact O-N 2.98Å
363	W	95.3	Very high	94.4	Very high	19 Å²	19	54.3 Å²	54.3	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-47.3	178	174.8	76.8	0	0	0	112.4	A307 Q308 L311 Q359 E366 R367 D430	A307-W363 HydrophobicContact CB-CB 4.37Å; A307-W363 HydrophobicContact CB-CG 4.29Å; Q308-W363 HydrophobicContact CB-CZ2 4.32Å; Q308-W363 HydrophobicContact CG-CZ2 3.99Å; L311-W363 HydrophobicContact CD1-CB 3.95Å; L311-W363 HydrophobicContact CD1-CD2 3.87Å; L311-W363 HydrophobicContact CD1-CE3 4Å; L311-W363 HydrophobicContact CD1-CG 3.84Å; Q359-W363 WeakPolarHBondContact O-CB 3.39Å; Q359-W363 PolarHBondContact O-N 2.93Å; W363-E366 PolarHBondContact O-N 3.12Å; W363-R367 HydrophobicContact CH2-CG 4.46Å; W363-R367 HydrophobicContact CZ2-CB 4.49Å; W363-R367 HydrophobicContact CZ2-CG 4.17Å; W363-R367 WeakPolarHBondContact O-CB 3.5Å; W363-R367 PolarHBondContact O-N 2.84Å; W363-D430 HydrophobicContact CH2-CB 4.31Å
364	L	97.4	Very high	94.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-46.6	-179.1	-179.3	64.4	0	0	0	110.3	E360 D362 R367 L368 I431 A434 F453 I454 C457	E360-L364 WeakPolarHBondContact O-CB 3.11Å; E360-L364 PolarHBondContact O-N 2.85Å; D362-L364 PolarHBondContact O-N 2.84Å; L364-R367 PolarHBondContact O-N 3.45Å; L364-L368 HydrophobicContact CD1-CD1 3.87Å; L364-L368 HydrophobicContact CD1-CD2 4.3Å; L364-L368 HydrophobicContact CD1-CG 3.93Å; L364-L368 HydrophobicContact CG-CD1 3.9Å; L364-L368 HydrophobicContact CG-CG 4.27Å; L364-L368 WeakPolarHBondContact O-CB 3.22Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.27Å; L364-I431 HydrophobicContact CD1-CD1 4.15Å; L364-I431 HydrophobicContact CD2-CD1 4.03Å; L364-I431 HydrophobicContact CG-CD1 4.49Å; L364-A434 HydrophobicContact CD1-CB 4.16Å; L364-A434 HydrophobicContact CD2-CB 4.05Å; L364-F453 HydrophobicContact CD2-CE1 4.21Å; L364-I454 HydrophobicContact CD2-CG1 4.47Å; L364-C457 HydrophobicContact CD2-CB 4.15Å
365	T	97.3	Very high	94.5	Very high	47 Å²	47	54.2 Å²	54.2	29%	0.288	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-47.2	-179.8	-56.7	0	0	0	0	111.4	S361 D362 R367 T369 Y461	S361-T365 VanDerWaalsContact O-CB 3.31Å; S361-T365 WeakPolarHBondContact O-CB 3.28Å; S361-T365 PolarHBondContact O-N 3.17Å; S361-T365 PolarHBondContact O-OG1 3.21Å; D362-T365 PolarHBondContact O-N 2.85Å; T365-R367 PolarHBondContact O-N 3.42Å; T365-T369 WeakPolarHBondContact O-CB 3.42Å; T365-T369 PolarHBondContact O-N 3.07Å; T365-T369 PolarHBondContact O-OG1 3.23Å; T365-Y461 HydrophobicContact CG2-CE2 4.49Å; T365-Y461 WeakPolarHBondContact CG2-OH 3.36Å
366	E	96	Very high	94.5	Very high	144 Å²	144	50 Å²	50	67%	0.673	25%	0.245	S	C	*	.	H	α-helix	trans	-61.2	-44.9	176.5	-175.3	-177.4	180	0	0	111.3	D362 W363 T369 G370	D362-E366 WeakPolarHBondContact O-CB 3.34Å; D362-E366 PolarHBondContact O-N 2.98Å; W363-E366 PolarHBondContact O-N 3.12Å; E366-T369 PolarHBondContact O-N 3.48Å; E366-G370 PolarHBondContact O-N 3.27Å
367	R	95.3	Very high	94.3	Very high	103 Å²	103	56.1 Å²	56.1	39%	0.389	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-46.2	-178.2	-175.5	62.1	176.8	159.2	1.3	112.4	W363 L364 T365 G370 H371 D430	W363-R367 HydrophobicContact CH2-CG 4.46Å; W363-R367 HydrophobicContact CZ2-CB 4.49Å; W363-R367 HydrophobicContact CZ2-CG 4.17Å; W363-R367 WeakPolarHBondContact O-CB 3.5Å; W363-R367 PolarHBondContact O-N 2.84Å; L364-R367 PolarHBondContact O-N 3.45Å; T365-R367 PolarHBondContact O-N 3.42Å; R367-G370 PolarHBondContact O-N 3.14Å; R367-H371 PolarHBondContact NE-NE2 3.43Å; R367-H371 PolarHBondContact NH2-CE1 3.31Å; R367-H371 PolarHBondContact O-CD2 3.11Å; R367-H371 PolarHBondContact O-N 3.29Å; R367-D430 WeakPolarHBondContact CG-OD2 3.37Å; R367-D430 IonicContact NE-OD2 2.78Å; R367-D430 PolarHBondContact NE-OD2 2.88Å
368	L	97.7	Very high	93.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-39.4	178.6	-65	-177.5	0	0	0	111.6	L364 H371 L372 I427 D430 I431 C457 Y461	L364-L368 HydrophobicContact CD1-CD1 3.87Å; L364-L368 HydrophobicContact CD1-CD2 4.3Å; L364-L368 HydrophobicContact CD1-CG 3.93Å; L364-L368 HydrophobicContact CG-CD1 3.9Å; L364-L368 HydrophobicContact CG-CG 4.27Å; L364-L368 WeakPolarHBondContact O-CB 3.22Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.27Å; L368-H371 PolarHBondContact O-N 2.98Å; L368-L372 PolarHBondContact O-N 3.2Å; L368-I427 HydrophobicContact CD2-CB 4.05Å; L368-I427 HydrophobicContact CD2-CG1 4.01Å; L368-I427 HydrophobicContact CD2-CG2 3.83Å; L368-D430 HydrophobicContact CD2-CB 4.45Å; L368-I431 HydrophobicContact CD1-CD1 3.9Å; L368-I431 HydrophobicContact CD1-CG1 4.32Å; L368-C457 HydrophobicContact CD1-CB 3.98Å; L368-Y461 HydrophobicContact CB-CD1 4.01Å; L368-Y461 HydrophobicContact CB-CD2 3.81Å; L368-Y461 HydrophobicContact CB-CE1 4.38Å; L368-Y461 HydrophobicContact CB-CE2 4.21Å; L368-Y461 HydrophobicContact CB-CG 3.72Å; L368-Y461 HydrophobicContact CD1-CD2 3.55Å; L368-Y461 HydrophobicContact CD1-CE2 4.2Å; L368-Y461 HydrophobicContact CD1-CG 4.07Å; L368-Y461 HydrophobicContact CG-CD2 4.35Å
369	T	95.9	Very high	93.4	Very high	42 Å²	42	54.2 Å²	54.2	26%	0.258	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-47.9	172.6	-57.4	0	0	0	0	110.7	T365 E366 H371 L372 E373 Y461	T365-T369 WeakPolarHBondContact O-CB 3.42Å; T365-T369 PolarHBondContact O-N 3.07Å; T365-T369 PolarHBondContact O-OG1 3.23Å; E366-T369 PolarHBondContact O-N 3.48Å; T369-H371 VanDerWaalsContact C-N 3.34Å; T369-H371 PolarHBondContact O-N 3.03Å; T369-L372 PolarHBondContact O-N 2.85Å; T369-L372 VanDerWaalsContact O-N 3.15Å; T369-E373 HydrophobicContact CG2-CG 4.13Å; T369-E373 WeakPolarHBondContact CG2-OE1 3.36Å; T369-E373 WeakPolarHBondContact O-CG 3.08Å; T369-E373 PolarHBondContact O-N 3.47Å; T369-Y461 WeakPolarHBondContact OG1-CE1 3.36Å; T369-Y461 PolarHBondContact OG1-OH 3.23Å
370	G	95	Very high	92.7	Very high	31 Å²	31	61.1 Å²	61.1	32%	0.32	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-37.2	179.2	0	0	0	0	0	114	E366 R367 H374	E366-G370 PolarHBondContact O-N 3.27Å; R367-G370 PolarHBondContact O-N 3.14Å; G370-H374 VanDerWaalsContact O-CB 3.24Å; G370-H374 WeakPolarHBondContact O-CB 3.48Å; G370-H374 PolarHBondContact O-N 3.49Å
371	H	95.2	Very high	91.8	Very high	23 Å²	23	62.1 Å²	62.1	11%	0.106	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-44.7	174.2	-73.3	-53.5	0	0	0	111.9	R367 L368 T369 Y375 I427 D430	R367-H371 PolarHBondContact NE-NE2 3.43Å; R367-H371 PolarHBondContact NH2-CE1 3.31Å; R367-H371 PolarHBondContact O-CD2 3.11Å; R367-H371 PolarHBondContact O-N 3.29Å; L368-H371 PolarHBondContact O-N 2.98Å; T369-H371 VanDerWaalsContact C-N 3.34Å; T369-H371 PolarHBondContact O-N 3.03Å; H371-Y375 WeakPolarHBondContact O-CB 3.33Å; H371-Y375 PolarHBondContact O-N 3.26Å; H371-Y375 VanDerWaalsContact O-N 3.11Å; H371-I427 HydrophobicContact CB-CG1 4.35Å; H371-D430 IonicContact CD2-OD2 3.21Å; H371-D430 IonicContact CE1-OD2 3.68Å; H371-D430 IonicContact NE2-OD2 2.79Å; H371-D430 PolarHBondContact NE2-OD2 2.96Å
372	L	93.5	Very high	90.7	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-71.8	-43.3	179.2	-65.9	-179.8	0	0	0	112.3	L368 T369 Y375 Y376 V423 I427 Y461 E465 H466	L368-L372 PolarHBondContact O-N 3.2Å; T369-L372 PolarHBondContact O-N 2.85Å; T369-L372 VanDerWaalsContact O-N 3.15Å; L372-Y375 PolarHBondContact O-N 3.46Å; L372-Y376 HydrophobicContact CB-CD2 4.35Å; L372-Y376 HydrophobicContact CB-CE2 4.22Å; L372-Y376 WeakPolarHBondContact O-CD2 3.5Å; L372-Y376 PolarHBondContact O-N 3.09Å; L372-V423 HydrophobicContact CD2-CG1 4.03Å; L372-I427 HydrophobicContact CD2-CD1 3.86Å; L372-I427 HydrophobicContact CG-CD1 4.3Å; L372-Y461 HydrophobicContact CD1-CD1 3.81Å; L372-E465 HydrophobicContact CD1-CB 3.57Å; L372-E465 HydrophobicContact CD1-CG 4.46Å; L372-H466 HydrophobicContact CD2-CB 3.87Å
373	E	92.1	Very high	89.3	Confident	108 Å²	108	67.5 Å²	67.5	51%	0.505	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-46.8	177.6	-74.5	-178.2	170.2	0	0	111.4	T369 Y375 Y376 Q377	T369-E373 HydrophobicContact CG2-CG 4.13Å; T369-E373 WeakPolarHBondContact CG2-OE1 3.36Å; T369-E373 WeakPolarHBondContact O-CG 3.08Å; T369-E373 PolarHBondContact O-N 3.47Å; E373-Y375 VanDerWaalsContact C-N 3.33Å; E373-Y375 PolarHBondContact O-N 2.73Å; E373-Y376 PolarHBondContact O-N 3.35Å; E373-Q377 VanDerWaalsContact O-CB 3.28Å; E373-Q377 WeakPolarHBondContact O-CB 3.42Å; E373-Q377 WeakPolarHBondContact O-CG 3.38Å; E373-Q377 PolarHBondContact O-N 2.9Å
374	H	92.1	Very high	87.8	Confident	136 Å²	136	74.1 Å²	74.1	63%	0.63	35%	0.346	S	S	*	.	H	α-helix	trans	-60.5	-43.8	176.6	178.7	-88.9	0	0	0	111.4	G370 S378	G370-H374 VanDerWaalsContact O-CB 3.24Å; G370-H374 WeakPolarHBondContact O-CB 3.48Å; G370-H374 PolarHBondContact O-N 3.49Å; H374-S378 WeakPolarHBondContact O-CB 3.41Å; H374-S378 PolarHBondContact O-N 3.04Å
375	Y	92.1	Very high	85.8	Confident	11 Å²	11	78 Å²	78	4%	0.043	38%	0.378	C	S	.	.	H	α-helix	trans	-60.5	-54.2	176.5	172.7	-112.2	0	0	0	111.9	H371 L372 E373 Q377 S378 Q379 S417 L418 L419 V423 H466	H371-Y375 WeakPolarHBondContact O-CB 3.33Å; H371-Y375 PolarHBondContact O-N 3.26Å; H371-Y375 VanDerWaalsContact O-N 3.11Å; L372-Y375 PolarHBondContact O-N 3.46Å; E373-Y375 VanDerWaalsContact C-N 3.33Å; E373-Y375 PolarHBondContact O-N 2.73Å; Y375-Q377 VanDerWaalsContact C-N 3.32Å; Y375-Q377 PolarHBondContact O-N 3.11Å; Y375-S378 WeakPolarHBondContact O-CB 3.36Å; Y375-S378 PolarHBondContact O-N 3.29Å; Y375-S378 VanDerWaalsContact O-N 3.08Å; Y375-S378 PolarHBondContact O-OG 2.89Å; Y375-Q379 HydrophobicContact CD2-CG 4.21Å; Y375-Q379 HydrophobicContact CE1-CG 4.38Å; Y375-Q379 HydrophobicContact CE2-CG 3.76Å; Y375-Q379 WeakPolarHBondContact O-CG 3.36Å; Y375-Q379 PolarHBondContact O-N 3.08Å; Y375-S417 PolarHBondContact OH-O 3.08Å; Y375-L418 WeakPolarHBondContact CE1-O 3.4Å; Y375-L418 WeakPolarHBondContact OH-CA 3.35Å; Y375-L418 PolarHBondContact OH-O 3.39Å; Y375-L419 VanDerWaalsContact OH-C 3.32Å; Y375-L419 PolarHBondContact OH-N 2.81Å; Y375-L419 PolarHBondContact OH-O 2.84Å; Y375-V423 HydrophobicContact CD1-CG2 4.43Å; Y375-V423 HydrophobicContact CD2-CG2 3.53Å; Y375-V423 HydrophobicContact CE2-CG2 4.27Å; Y375-V423 HydrophobicContact CG-CG2 3.62Å; Y375-H466 AromaticContact CE1-CE1 3.63Å; Y375-H466 AromaticContact CE1-ND1 3.97Å
376	Y	89	Confident	83.6	Confident	10 Å²	10	79.6 Å²	79.6	4%	0.039	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-37.5	-178.5	-70.8	-51.9	0	0	0	112.6	L372 E373 S378 Q379 R380 H381 K383 E465 H466 Y469	L372-Y376 HydrophobicContact CB-CD2 4.35Å; L372-Y376 HydrophobicContact CB-CE2 4.22Å; L372-Y376 WeakPolarHBondContact O-CD2 3.5Å; L372-Y376 PolarHBondContact O-N 3.09Å; E373-Y376 PolarHBondContact O-N 3.35Å; Y376-S378 PolarHBondContact O-N 2.9Å; Y376-Q379 CarbonylContact O-C 3.58Å; Y376-Q379 PolarHBondContact O-N 3.05Å; Y376-R380 PolarHBondContact O-N 3.34Å; Y376-H381 CarbonylContact C-O 3.59Å; Y376-H381 HydrophobicContact CD1-CB 4.33Å; Y376-H381 AromaticContact CD1-CD2 3.65Å; Y376-H381 PolarHBondContact O-N 3Å; Y376-K383 HydrophobicContact CE2-CD 4.42Å; Y376-E465 PolarHBondContact OH-O 2.94Å; Y376-H466 WeakPolarHBondContact OH-CA 3.37Å; Y376-Y469 HydrophobicContact CE1-CD1 4.13Å; Y376-Y469 HydrophobicContact CE1-CE1 4.13Å; Y376-Y469 AromaticContact CZ-CD1 3.86Å; Y376-Y469 WeakPolarHBondContact OH-CD1 2.94Å
377	Q	87.5	Confident	81.1	Confident	132 Å²	132	78.3 Å²	78.3	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-62.7	-40.9	172.4	-72.1	172.6	21.6	0	0	112.3	E373 Y375 Q379 R380	E373-Q377 VanDerWaalsContact O-CB 3.28Å; E373-Q377 WeakPolarHBondContact O-CB 3.42Å; E373-Q377 WeakPolarHBondContact O-CG 3.38Å; E373-Q377 PolarHBondContact O-N 2.9Å; Y375-Q377 VanDerWaalsContact C-N 3.32Å; Y375-Q377 PolarHBondContact O-N 3.11Å; Q377-Q379 VanDerWaalsContact C-N 3.26Å; Q377-Q379 PolarHBondContact O-N 3.31Å; Q377-R380 PolarHBondContact O-N 3.48Å
378	S	86.8	Confident	78.8	Confident	71 Å²	71	80.4 Å²	80.4	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-33.8	176.6	78.1	0	0	0	0	112.5	H374 Y375 Y376 R380	H374-S378 WeakPolarHBondContact O-CB 3.41Å; H374-S378 PolarHBondContact O-N 3.04Å; Y375-S378 WeakPolarHBondContact O-CB 3.36Å; Y375-S378 PolarHBondContact O-N 3.29Å; Y375-S378 VanDerWaalsContact O-N 3.08Å; Y375-S378 PolarHBondContact O-OG 2.89Å; Y376-S378 PolarHBondContact O-N 2.9Å; S378-R380 PolarHBondContact O-N 3.46Å
379	Q	82.7	Confident	76.2	Confident	64 Å²	64	85 Å²	85	30%	0.299	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	3.5	173.8	-60.9	-58.6	-27.4	0	0	113.2	Y375 Y376 Q377 H381 L418	Y375-Q379 HydrophobicContact CD2-CG 4.21Å; Y375-Q379 HydrophobicContact CE1-CG 4.38Å; Y375-Q379 HydrophobicContact CE2-CG 3.76Å; Y375-Q379 WeakPolarHBondContact O-CG 3.36Å; Y375-Q379 PolarHBondContact O-N 3.08Å; Y376-Q379 CarbonylContact O-C 3.58Å; Y376-Q379 PolarHBondContact O-N 3.05Å; Q377-Q379 VanDerWaalsContact C-N 3.26Å; Q377-Q379 PolarHBondContact O-N 3.31Å; Q379-H381 HydrophobicContact CB-CB 4.38Å; Q379-H381 PolarHBondContact O-N 3.12Å; Q379-H381 VanDerWaalsContact O-N 3.14Å; Q379-L418 HydrophobicContact CB-CD2 4.25Å
380	R	78.3	Confident	73.7	Confident	222 Å²	222	84.4 Å²	84.4	84%	0.838	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	21.7	-173	-59.9	-75.3	-176.1	167.2	-1.7	113.6	Y376 Q377 S378	Y376-R380 PolarHBondContact O-N 3.34Å; Q377-R380 PolarHBondContact O-N 3.48Å; S378-R380 PolarHBondContact O-N 3.46Å
381	H	77.7	Confident	71.1	Confident	24 Å²	24	87.6 Å²	87.6	11%	0.111	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-94.6	132.8	-177.7	-172.7	47.6	0	0	0	111.5	Y376 Q379 L418 Y469	Y376-H381 CarbonylContact C-O 3.59Å; Y376-H381 HydrophobicContact CD1-CB 4.33Å; Y376-H381 AromaticContact CD1-CD2 3.65Å; Y376-H381 PolarHBondContact O-N 3Å; Q379-H381 HydrophobicContact CB-CB 4.38Å; Q379-H381 PolarHBondContact O-N 3.12Å; Q379-H381 VanDerWaalsContact O-N 3.14Å; H381-L418 HydrophobicContact CB-CD2 4.21Å; H381-L418 WeakPolarHBondContact NE2-CD1 3.43Å; H381-Y469 AromaticContact CD2-CE1 3.7Å; H381-Y469 PolarHBondContact CE1-OH 3.21Å; H381-Y469 AromaticContact NE2-CE1 3.22Å; H381-Y469 WeakPolarHBondContact NE2-CE1 3.49Å; H381-Y469 AromaticContact NE2-CZ 3.4Å; H381-Y469 PolarHBondContact NE2-OH 3.34Å
382	Q	72.3	Confident	68.8	Low	147 Å²	147	89.1 Å²	89.1	69%	0.687	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-101.2	117.8	169.4	-72.2	-176.4	-11.9	0	0	109.3	R384	Q382-R384 PolarHBondContact O-N 3.28Å
383	K	65.5	Low	66.6	Low	77 Å²	77	95.1 Å²	95.1	34%	0.335	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-61.5	131.4	176.8	-171.6	164.7	-176.4	164.4	0	110.8	Y376 E465 Y469	Y376-K383 HydrophobicContact CE2-CD 4.42Å; K383-E465 WeakPolarHBondContact CE-OE2 3.32Å; K383-E465 VanDerWaalsContact NZ-CA 3.34Å; K383-E465 PolarHBondContact NZ-O 3.29Å; K383-E465 IonicContact NZ-OE1 3.97Å; K383-E465 PolarHBondContact NZ-OE1 3.19Å; K383-E465 IonicContact NZ-OE2 3.45Å; K383-E465 PolarHBondContact NZ-OE2 3.43Å; K383-Y469 WeakPolarHBondContact CA-OH 3.23Å; K383-Y469 HydrophobicContact CG-CE1 4.2Å; K383-Y469 HydrophobicContact CG-CE2 4.12Å
384	R	65.2	Low	64.4	Low	157 Å²	157	93.7 Å²	93.7	59%	0.592	49%	0.489	S	S	*	.			trans	-122.5	139.9	176	-64.2	-177.7	-175.6	179.9	2.5	110.2	Q382 L386 Y469	Q382-R384 PolarHBondContact O-N 3.28Å; R384-L386 PolarHBondContact O-N 3.16Å; R384-L386 VanDerWaalsContact O-N 3.17Å; R384-Y469 PolarHBondContact N-OH 3.46Å
385	A	53.8	Low	62.1	Low	83 Å²	83	95.9 Å²	95.9	69%	0.686	49%	0.492	S	S	*	.			trans	-63.8	115.4	171.4	0	0	0	0	0	109.5	N387	A385-N387 PolarHBondContact O-N 3.21Å
386	L	52.4	Low	60	Low	80 Å²	80	103.3 Å²	103.3	42%	0.419	52%	0.52	S	S	.	.			trans	-79.5	63.2	175.8	-66.8	165.8	0	0	0	109.4	R384 V388 Y469 T472 I473	R384-L386 PolarHBondContact O-N 3.16Å; R384-L386 VanDerWaalsContact O-N 3.17Å; L386-V388 PolarHBondContact O-N 3.37Å; L386-Y469 HydrophobicContact CD1-CD2 3.81Å; L386-Y469 HydrophobicContact CD1-CE2 3.93Å; L386-Y469 HydrophobicContact CG-CE2 4.29Å; L386-T472 HydrophobicContact CD1-CG2 3.65Å; L386-I473 HydrophobicContact CD2-CD1 4.27Å
387	N	42.4	Very low	57.8	Low	117 Å²	117	107.9 Å²	107.9	63%	0.626	55%	0.545	S	S	*	.			trans	-73.1	122.6	175.2	-64	-8.1	0	0	0	108.2	A385 S389 G390	A385-N387 PolarHBondContact O-N 3.21Å; N387-S389 PolarHBondContact O-N 3.22Å; N387-G390 PolarHBondContact O-N 2.92Å
388	V	47	Very low	55.6	Low	147 Å²	147	105.7 Å²	105.7	89%	0.891	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-25.1	178.4	-179	0	0	0	0	112.7	L386	L386-V388 PolarHBondContact O-N 3.37Å
389	S	43.7	Very low	53.4	Low	97 Å²	97	109.5 Å²	109.5	68%	0.678	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-23	177.5	-167.3	0	0	0	0	114.3	N387 L391	N387-S389 PolarHBondContact O-N 3.22Å; S389-L391 VanDerWaalsContact C-N 3.28Å; S389-L391 PolarHBondContact O-N 2.87Å
390	G	42.6	Very low	51.5	Low	28 Å²	28	110.3 Å²	110.3	29%	0.289	57%	0.565	S	S	.	*	H	α-helix	trans	-74.2	-12.2	-178.5	0	0	0	0	0	114.2	N387 A392 E393 L394	N387-G390 PolarHBondContact O-N 2.92Å; G390-A392 VanDerWaalsContact C-N 3.34Å; G390-A392 PolarHBondContact O-N 3.41Å; G390-E393 PolarHBondContact O-N 3.42Å; G390-L394 WeakPolarHBondContact O-CB 3.37Å; G390-L394 PolarHBondContact O-N 2.89Å
391	L	42	Very low	49.7	Very low	99 Å²	99	106.2 Å²	106.2	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-69.9	-32.3	179.8	-159	75.9	0	0	0	112.2	S389 L394 R395	S389-L391 VanDerWaalsContact C-N 3.28Å; S389-L391 PolarHBondContact O-N 2.87Å; L391-L394 HydrophobicContact CD1-CD2 4.15Å; L391-R395 WeakPolarHBondContact O-CB 3.31Å; L391-R395 PolarHBondContact O-N 3.48Å
392	A	46.8	Very low	47.8	Very low	55 Å²	55	112.2 Å²	112.2	46%	0.455	58%	0.579	S	S	.	*	H	α-helix	trans	-75.3	-35.1	176.2	0	0	0	0	0	112.1	G390 R396	G390-A392 VanDerWaalsContact C-N 3.34Å; G390-A392 PolarHBondContact O-N 3.41Å; A392-R396 VanDerWaalsContact O-CB 3.31Å; A392-R396 WeakPolarHBondContact O-CB 3.46Å; A392-R396 PolarHBondContact O-N 3.04Å
393	E	47.5	Very low	46.3	Very low	133 Å²	133	114.5 Å²	114.5	62%	0.621	59%	0.59	S	S	*	*	H	α-helix	trans	-71.3	-40.1	170.1	-88	175	165.4	0	0	111.5	G390 R395 R396 D397	G390-E393 PolarHBondContact O-N 3.42Å; E393-R395 PolarHBondContact O-N 2.88Å; E393-R396 CarbonylContact O-C 3.5Å; E393-R396 PolarHBondContact O-N 3.41Å; E393-D397 WeakPolarHBondContact O-CB 3.26Å; E393-D397 PolarHBondContact O-N 3.43Å
394	L	45.2	Very low	44.7	Very low	78 Å²	78	116.7 Å²	116.7	41%	0.408	60%	0.603	S	S	.	*	H	α-helix	trans	-60.9	-44	174.9	-175	74.4	0	0	0	111.2	G390 L391 L398	G390-L394 WeakPolarHBondContact O-CB 3.37Å; G390-L394 PolarHBondContact O-N 2.89Å; L391-L394 HydrophobicContact CD1-CD2 4.15Å; L394-L398 HydrophobicContact CG-CD1 4.04Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 VanDerWaalsContact O-CD1 3.28Å; L394-L398 WeakPolarHBondContact O-CD1 3.27Å; L394-L398 WeakPolarHBondContact O-CG 3.26Å; L394-L398 PolarHBondContact O-N 2.92Å
395	R	44.7	Very low	43.1	Very low	182 Å²	182	115.6 Å²	115.6	69%	0.687	61%	0.614	S	S	*	*	H	α-helix	trans	-68.8	-38.2	175.8	-139.2	-175.6	-168.6	139.1	1.9	111.8	L391 E393 Q399	L391-R395 WeakPolarHBondContact O-CB 3.31Å; L391-R395 PolarHBondContact O-N 3.48Å; E393-R395 PolarHBondContact O-N 2.88Å; R395-Q399 WeakPolarHBondContact O-CB 3.49Å; R395-Q399 PolarHBondContact O-N 3.18Å
396	R	46.2	Very low	42.3	Very low	166 Å²	166	115.8 Å²	115.8	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-67.7	-45.8	176.1	-103.9	-174.9	-88.8	163.6	-7.2	112.3	A392 E393 L398 Q399 A400	A392-R396 VanDerWaalsContact O-CB 3.31Å; A392-R396 WeakPolarHBondContact O-CB 3.46Å; A392-R396 PolarHBondContact O-N 3.04Å; E393-R396 CarbonylContact O-C 3.5Å; E393-R396 PolarHBondContact O-N 3.41Å; R396-L398 VanDerWaalsContact C-N 3.33Å; R396-Q399 PolarHBondContact O-N 2.96Å; R396-A400 WeakPolarHBondContact O-CA 3.33Å; R396-A400 WeakPolarHBondContact O-CB 3.29Å; R396-A400 PolarHBondContact O-N 3.04Å
397	D	44.5	Very low	41	Very low	107 Å²	107	115.3 Å²	115.3	57%	0.572	64%	0.639	S	S	*	*	H	α-helix	trans	-68.3	-35.3	178.5	-112.6	5.1	0	0	0	111.3	E393 K401	E393-D397 WeakPolarHBondContact O-CB 3.26Å; E393-D397 PolarHBondContact O-N 3.43Å; D397-K401 PolarHBondContact O-N 3.47Å
398	L	41.4	Very low	40.5	Very low	86 Å²	86	117.6 Å²	117.6	45%	0.45	65%	0.651	S	S	.	*	H	α-helix	trans	-63.2	-38.7	172.8	-85.8	168.8	0	0	0	113.4	L394 R396	L394-L398 HydrophobicContact CG-CD1 4.04Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 VanDerWaalsContact O-CD1 3.28Å; L394-L398 WeakPolarHBondContact O-CD1 3.27Å; L394-L398 WeakPolarHBondContact O-CG 3.26Å; L394-L398 PolarHBondContact O-N 2.92Å; R396-L398 VanDerWaalsContact C-N 3.33Å
399	Q	40.6	Very low	40.1	Very low	151 Å²	151	118.5 Å²	118.5	71%	0.706	64%	0.638	S	S	*	*	H	α-helix	trans	-83.4	-36.5	177.7	-87.5	179.1	-23.9	0	0	112.9	R395 R396	R395-Q399 WeakPolarHBondContact O-CB 3.49Å; R395-Q399 PolarHBondContact O-N 3.18Å; R396-Q399 PolarHBondContact O-N 2.96Å
400	A	41.8	Very low	39.9	Very low	81 Å²	81	115.4 Å²	115.4	67%	0.669	62%	0.617	S	S	*	*	H	α-helix	trans	-79.2	-29	-168.6	0	0	0	0	0	113	R396	R396-A400 WeakPolarHBondContact O-CA 3.33Å; R396-A400 WeakPolarHBondContact O-CB 3.29Å; R396-A400 PolarHBondContact O-N 3.04Å
401	K	40.6	Very low	39.9	Very low	136 Å²	136	121.7 Å²	121.7	59%	0.591	64%	0.639	S	S	*	*	S	Bend	trans	-101.5	-32.5	-164.4	-113.7	173	-173.4	173	0	117.6	D397	D397-K401 PolarHBondContact O-N 3.47Å
402	F	37.5	Very low	39.9	Very low	149 Å²	149	121.5 Å²	121.5	65%	0.654	64%	0.638	S	S	*	*			trans	-152.4	96.6	-176.9	-65.8	-72.5	0	0	0	115.2	I404	F402-I404 HydrophobicContact CB-CB 4.27Å; F402-I404 HydrophobicContact CB-CG1 4.32Å; F402-I404 HydrophobicContact CD1-CD1 3.7Å; F402-I404 HydrophobicContact CD1-CG1 4.15Å; F402-I404 HydrophobicContact CE1-CD1 4.41Å; F402-I404 PolarHBondContact O-N 3.32Å
403	H	41.5	Very low	40	Very low	196 Å²	196	121.9 Å²	121.9	91%	0.907	63%	0.633	S	S	*	*			trans	-62.8	61.8	147.2	-85.9	64.9	0	0	0	110
404	I	31.1	Very low	40.4	Very low	122 Å²	122	120 Å²	120	63%	0.626	62%	0.621	S	S	*	*			trans	-136.3	114.3	176	-56.9	-174.6	0	0	0	109.2	F402	F402-I404 HydrophobicContact CB-CB 4.27Å; F402-I404 HydrophobicContact CB-CG1 4.32Å; F402-I404 HydrophobicContact CD1-CD1 3.7Å; F402-I404 HydrophobicContact CD1-CG1 4.15Å; F402-I404 HydrophobicContact CE1-CD1 4.41Å; F402-I404 PolarHBondContact O-N 3.32Å
405	T	32.5	Very low	41	Very low	134 Å²	134	120 Å²	120	82%	0.822	62%	0.621	S	S	*	*			trans	-39.9	135.4	162.3	41	0	0	0	0	114.2
406	G	35.7	Very low	42.3	Very low	87 Å²	87	115.2 Å²	115.2	90%	0.897	61%	0.608	S	S	*	*			trans	74.2	87.8	155	0	0	0	0	0	116.1
407	G	26.1	Very low	43.9	Very low	70 Å²	70	108.1 Å²	108.1	72%	0.722	58%	0.584	S	S	*	*			trans	-158	72.5	171.4	0	0	0	0	0	111.1	R409	G407-R409 VanDerWaalsContact C-N 3.32Å; G407-R409 PolarHBondContact O-N 3.36Å
408	D	32.7	Very low	45.9	Very low	165 Å²	165	103.5 Å²	103.5	88%	0.882	56%	0.559	S	S	*	*			trans	37	46.2	147.8	-140	16.7	0	0	0	118.1	S410	D408-S410 PolarHBondContact O-N 3.47Å
409	R	38.5	Very low	48.3	Very low	166 Å²	166	99.8 Å²	99.8	63%	0.626	54%	0.54	S	S	*	.			trans	-74	106.1	146.8	-73.5	-173.9	179.1	-170.1	-2.6	104.6	G407 Q411	G407-R409 VanDerWaalsContact C-N 3.32Å; G407-R409 PolarHBondContact O-N 3.36Å; R409-Q411 PolarHBondContact O-N 3.36Å
410	S	39.5	Very low	50.7	Low	33 Å²	33	93.7 Å²	93.7	23%	0.231	51%	0.514	C	S	.	.			trans	-54.5	122.3	172.5	96.2	0	0	0	0	106	D408 N412 D413	D408-S410 PolarHBondContact O-N 3.47Å; S410-N412 PolarHBondContact O-N 3.45Å; S410-N412 WeakPolarHBondContact OG-CA 3.45Å; S410-N412 VanDerWaalsContact OG-CB 3.26Å; S410-N412 WeakPolarHBondContact OG-CB 3.37Å; S410-N412 PolarHBondContact OG-N 3.04Å; S410-D413 PolarHBondContact O-N 2.85Å; S410-D413 PolarHBondContact OG-N 3.41Å; S410-D413 VanDerWaalsContact OG-N 3.08Å; S410-D413 PolarHBondContact OG-OD1 3.07Å
411	Q	41.8	Very low	53.1	Low	160 Å²	160	93.4 Å²	93.4	75%	0.748	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-53.9	-20	165.2	-143.2	155.8	-22.9	0	0	109.7	R409 D413	R409-Q411 PolarHBondContact O-N 3.36Å; Q411-D413 PolarHBondContact O-N 3.11Å
412	N	41.8	Very low	55.7	Low	94 Å²	94	93.8 Å²	93.8	50%	0.503	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-66.4	-27.3	-179.6	-45.6	-19.9	0	0	0	115.5	S410 Y414 D415 I416	S410-N412 PolarHBondContact O-N 3.45Å; S410-N412 WeakPolarHBondContact OG-CA 3.45Å; S410-N412 VanDerWaalsContact OG-CB 3.26Å; S410-N412 WeakPolarHBondContact OG-CB 3.37Å; S410-N412 PolarHBondContact OG-N 3.04Å; N412-Y414 PolarHBondContact O-N 2.96Å; N412-Y414 VanDerWaalsContact O-N 3.12Å; N412-D415 PolarHBondContact O-N 2.6Å; N412-I416 HydrophobicContact CB-CD1 4.27Å; N412-I416 PolarHBondContact O-N 3.39Å
413	D	48.1	Very low	58.4	Low	63 Å²	63	87.3 Å²	87.3	34%	0.337	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-61.6	-26	-175.8	-78.2	13.6	0	0	0	112.6	S410 Q411	S410-D413 PolarHBondContact O-N 2.85Å; S410-D413 PolarHBondContact OG-N 3.41Å; S410-D413 VanDerWaalsContact OG-N 3.08Å; S410-D413 PolarHBondContact OG-OD1 3.07Å; Q411-D413 PolarHBondContact O-N 3.11Å
414	Y	56.3	Low	61	Low	94 Å²	94	78 Å²	78	37%	0.369	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-102.3	-8.2	177.2	-55.1	-77.1	0	0	0	112.9	N412 I480	N412-Y414 PolarHBondContact O-N 2.96Å; N412-Y414 VanDerWaalsContact O-N 3.12Å; Y414-I480 HydrophobicContact CE1-CD1 4Å; Y414-I480 HydrophobicContact CE2-CD1 3.99Å
415	D	58.3	Low	64.1	Low	77 Å²	77	75.8 Å²	75.8	41%	0.412	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-9.8	179.4	-65.9	-20.7	0	0	0	113	N412 N489 V491	N412-D415 PolarHBondContact O-N 2.6Å; D415-N489 VanDerWaalsContact CA-ND2 3.33Å; D415-N489 WeakPolarHBondContact CA-ND2 3.36Å; D415-N489 PolarHBondContact OD1-ND2 2.73Å; D415-V491 VanDerWaalsContact O-CG2 3.27Å; D415-V491 WeakPolarHBondContact O-CG2 3.34Å
416	I	71.7	Confident	67.2	Low	82 Å²	82	72.5 Å²	72.5	42%	0.421	40%	0.402	S	S	.	.	S	Bend	trans	-116.1	135.2	-178	-56.3	171.6	0	0	0	109.3	N412 L418	N412-I416 HydrophobicContact CB-CD1 4.27Å; N412-I416 PolarHBondContact O-N 3.39Å; I416-L418 PolarHBondContact O-N 2.95Å
417	S	80.8	Confident	70.1	Confident	17 Å²	17	68.4 Å²	68.4	12%	0.119	36%	0.359	C	S	.	.			trans	-65.1	123.8	169.4	-176.7	0	0	0	0	109.8	Y375 L419 E498	Y375-S417 PolarHBondContact OH-O 3.08Å; S417-L419 PolarHBondContact O-N 3.33Å; S417-L419 PolarHBondContact OG-N 3.3Å; S417-E498 WeakPolarHBondContact CB-OE2 3.36Å; S417-E498 PolarHBondContact OG-OE2 3.45Å
418	L	86.7	Confident	73.5	Confident	11 Å²	11	65.3 Å²	65.3	6%	0.058	33%	0.326	C	S	.	.	S	Bend	trans	-83.8	22	170.5	-65.8	177.5	0	0	0	112.3	Y375 Q379 H381 I416 I473	Y375-L418 WeakPolarHBondContact CE1-O 3.4Å; Y375-L418 WeakPolarHBondContact OH-CA 3.35Å; Y375-L418 PolarHBondContact OH-O 3.39Å; Q379-L418 HydrophobicContact CB-CD2 4.25Å; H381-L418 HydrophobicContact CB-CD2 4.21Å; H381-L418 WeakPolarHBondContact NE2-CD1 3.43Å; I416-L418 PolarHBondContact O-N 2.95Å; L418-I473 HydrophobicContact CD1-CB 4.15Å; L418-I473 HydrophobicContact CD1-CG1 4.28Å; L418-I473 HydrophobicContact CD1-CG2 3.83Å
419	L	90.5	Very high	76.6	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.037	30%	0.298	C	S	.	.			trans	-108.8	149.6	171.3	-55.6	180	0	0	0	109.8	Y375 S417 H466 V471 I495 E498 A499 I502	Y375-L419 VanDerWaalsContact OH-C 3.32Å; Y375-L419 PolarHBondContact OH-N 2.81Å; Y375-L419 PolarHBondContact OH-O 2.84Å; S417-L419 PolarHBondContact O-N 3.33Å; S417-L419 PolarHBondContact OG-N 3.3Å; L419-H466 WeakPolarHBondContact CD2-O 3.29Å; L419-V471 HydrophobicContact CD1-CG2 4.34Å; L419-I495 HydrophobicContact CD1-CG2 3.88Å; L419-I495 WeakPolarHBondContact CD1-O 3.45Å; L419-E498 HydrophobicContact CB-CB 4.08Å; L419-E498 WeakPolarHBondContact CB-OE2 3.5Å; L419-E498 HydrophobicContact CD1-CB 4.2Å; L419-A499 HydrophobicContact CD1-CB 3.66Å; L419-I502 HydrophobicContact CB-CD1 4.28Å
420	S	92	Very high	79.4	Confident	24 Å²	24	52.9 Å²	52.9	17%	0.168	27%	0.27	C	S	.	.			trans	-152.4	123.1	178.6	174.5	0	0	0	0	109.5	E422 A424 H466	S420-E422 VanDerWaalsContact C-N 3.28Å; S420-E422 PolarHBondContact OG-N 2.93Å; S420-A424 PolarHBondContact O-N 2.74Å; S420-H466 PolarHBondContact N-CE1 2.98Å; S420-H466 PolarHBondContact N-NE2 3.01Å; S420-H466 PolarHBondContact O-NE2 3.24Å; S420-H466 VanDerWaalsContact O-NE2 3.14Å
421	E	92.6	Very high	82.2	Confident	74 Å²	74	51.3 Å²	51.3	35%	0.346	26%	0.259	S	S	.	.	H	α-helix	trans	-66.9	-30.6	174.2	-65.8	-173.9	178.3	0	0	111.7	A424 V425 S501 I502	E421-A424 WeakPolarHBondContact O-CB 3.41Å; E421-A424 PolarHBondContact O-N 2.91Å; E421-V425 VanDerWaalsContact O-CG2 3.29Å; E421-V425 WeakPolarHBondContact O-CG2 3.39Å; E421-V425 PolarHBondContact O-N 2.98Å; E421-S501 WeakPolarHBondContact OE1-CB 3.42Å; E421-S501 PolarHBondContact OE1-OG 3.48Å; E421-I502 HydrophobicContact CG-CG1 4.19Å
422	E	93.3	Very high	84.9	Confident	145 Å²	145	46.5 Å²	46.5	68%	0.678	23%	0.234	S	C	*	.	H	α-helix	trans	-63.9	-47	178.5	-175.1	-178.1	172.8	0	0	111.5	S420 A424 V425 N426	S420-E422 VanDerWaalsContact C-N 3.28Å; S420-E422 PolarHBondContact OG-N 2.93Å; E422-A424 VanDerWaalsContact C-N 3.3Å; E422-A424 PolarHBondContact O-N 3.23Å; E422-V425 PolarHBondContact O-N 3.29Å; E422-N426 PolarHBondContact O-N 3.18Å; E422-N426 PolarHBondContact O-ND2 3.41Å
423	V	94.6	Very high	87.4	Confident	13 Å²	13	46.9 Å²	46.9	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-41	176.2	179.9	0	0	0	0	110.5	L372 Y375 V425 N426 I427	L372-V423 HydrophobicContact CD2-CG1 4.03Å; Y375-V423 HydrophobicContact CD1-CG2 4.43Å; Y375-V423 HydrophobicContact CD2-CG2 3.53Å; Y375-V423 HydrophobicContact CE2-CG2 4.27Å; Y375-V423 HydrophobicContact CG-CG2 3.62Å; V423-V425 PolarHBondContact O-N 3.47Å; V423-N426 PolarHBondContact O-N 3.45Å; V423-I427 HydrophobicContact CG1-CD1 4.02Å; V423-I427 WeakPolarHBondContact O-CG1 3.5Å; V423-I427 PolarHBondContact O-N 3.02Å
424	A	96.2	Very high	89.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-44.7	175.5	0	0	0	0	0	112.2	S420 E421 E422 I427 I428 L462 I502	S420-A424 PolarHBondContact O-N 2.74Å; E421-A424 WeakPolarHBondContact O-CB 3.41Å; E421-A424 PolarHBondContact O-N 2.91Å; E422-A424 VanDerWaalsContact C-N 3.3Å; E422-A424 PolarHBondContact O-N 3.23Å; A424-I427 PolarHBondContact O-N 3.13Å; A424-I428 WeakPolarHBondContact O-CB 3.32Å; A424-I428 VanDerWaalsContact O-CG1 3.23Å; A424-I428 WeakPolarHBondContact O-CG1 3.47Å; A424-I428 PolarHBondContact O-N 2.99Å; A424-L462 HydrophobicContact CB-CD1 3.6Å; A424-I502 HydrophobicContact CB-CB 4.42Å; A424-I502 HydrophobicContact CB-CD1 4.23Å; A424-I502 HydrophobicContact CB-CG1 3.87Å; A424-I502 HydrophobicContact CB-CG2 3.8Å
425	V	96.5	Very high	91.7	Very high	75 Å²	75	39.6 Å²	39.6	46%	0.455	20%	0.196	S	C	.	.	H	α-helix	trans	-63.4	-41.5	177.2	169.6	0	0	0	0	111.3	E421 E422 V423 I428 E429	E421-V425 VanDerWaalsContact O-CG2 3.29Å; E421-V425 WeakPolarHBondContact O-CG2 3.39Å; E421-V425 PolarHBondContact O-N 2.98Å; E422-V425 PolarHBondContact O-N 3.29Å; V423-V425 PolarHBondContact O-N 3.47Å; V425-I428 PolarHBondContact O-N 3.39Å; V425-E429 WeakPolarHBondContact O-CB 3.25Å; V425-E429 PolarHBondContact O-N 3.35Å
426	N	96.8	Very high	93.6	Very high	66 Å²	66	41.9 Å²	41.9	35%	0.353	20%	0.202	S	C	.	.	H	α-helix	trans	-62.5	-45.3	176.6	-73.5	-31.7	0	0	0	112.2	E422 V423 E429 D430	E422-N426 PolarHBondContact O-N 3.18Å; E422-N426 PolarHBondContact O-ND2 3.41Å; V423-N426 PolarHBondContact O-N 3.45Å; N426-E429 PolarHBondContact O-N 3Å; N426-D430 PolarHBondContact O-N 2.95Å; N426-D430 VanDerWaalsContact O-N 3.16Å
427	I	97.9	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-48.3	174.3	-71.1	170.7	0	0	0	110.5	L368 H371 L372 V423 A424 E429 D430 I431 L462	L368-I427 HydrophobicContact CD2-CB 4.05Å; L368-I427 HydrophobicContact CD2-CG1 4.01Å; L368-I427 HydrophobicContact CD2-CG2 3.83Å; H371-I427 HydrophobicContact CB-CG1 4.35Å; L372-I427 HydrophobicContact CD2-CD1 3.86Å; L372-I427 HydrophobicContact CG-CD1 4.3Å; V423-I427 HydrophobicContact CG1-CD1 4.02Å; V423-I427 WeakPolarHBondContact O-CG1 3.5Å; V423-I427 PolarHBondContact O-N 3.02Å; A424-I427 PolarHBondContact O-N 3.13Å; I427-E429 PolarHBondContact O-N 3.37Å; I427-D430 PolarHBondContact O-N 3.38Å; I427-I431 HydrophobicContact CG2-CG1 4.42Å; I427-I431 WeakPolarHBondContact O-CB 3.48Å; I427-I431 VanDerWaalsContact O-CG1 3.26Å; I427-I431 WeakPolarHBondContact O-CG1 3.21Å; I427-I431 PolarHBondContact O-N 3.44Å; I427-L462 HydrophobicContact CD1-CD1 4.33Å; I427-L462 HydrophobicContact CG2-CB 4.19Å; I427-L462 HydrophobicContact CG2-CD1 4.45Å
428	I	97.9	Very high	95.5	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-42.2	-178	-74.7	172.1	0	0	0	111.7	A424 V425 I431 R432 L458 L462 F505 T509	A424-I428 WeakPolarHBondContact O-CB 3.32Å; A424-I428 VanDerWaalsContact O-CG1 3.23Å; A424-I428 WeakPolarHBondContact O-CG1 3.47Å; A424-I428 PolarHBondContact O-N 2.99Å; V425-I428 PolarHBondContact O-N 3.39Å; I428-I431 PolarHBondContact O-N 3.46Å; I428-R432 HydrophobicContact CG2-CG 4.25Å; I428-R432 VanDerWaalsContact CG2-CZ 3.48Å; I428-R432 WeakPolarHBondContact O-CB 3.39Å; I428-R432 WeakPolarHBondContact O-CG 3.42Å; I428-R432 PolarHBondContact O-N 3.35Å; I428-L458 HydrophobicContact CG1-CD1 4.25Å; I428-L462 HydrophobicContact CD1-CD2 3.92Å; I428-L462 HydrophobicContact CG1-CD2 3.93Å; I428-F505 HydrophobicContact CD1-CB 3.36Å; I428-F505 HydrophobicContact CD1-CG 4.37Å; I428-T509 HydrophobicContact CG2-CG2 4.15Å; I428-T509 VanDerWaalsContact CG2-OG1 3.26Å; I428-T509 WeakPolarHBondContact CG2-OG1 3.25Å
429	E	97.1	Very high	95.9	Very high	65 Å²	65	41.3 Å²	41.3	30%	0.304	20%	0.198	S	C	.	.	H	α-helix	trans	-65.7	-40.3	-179.8	-179.2	58.5	-162.3	0	0	111.7	V425 N426 I427 R432 R433	V425-E429 WeakPolarHBondContact O-CB 3.25Å; V425-E429 PolarHBondContact O-N 3.35Å; N426-E429 PolarHBondContact O-N 3Å; I427-E429 PolarHBondContact O-N 3.37Å; E429-R432 PolarHBondContact O-N 2.89Å; E429-R433 VanDerWaalsContact CG-CZ 3.48Å; E429-R433 VanDerWaalsContact CG-NH2 3.31Å; E429-R433 VanDerWaalsContact O-CG 3.26Å; E429-R433 WeakPolarHBondContact O-CG 3.45Å; E429-R433 PolarHBondContact O-N 3.43Å; E429-R433 IonicContact OE1-CZ 2.67Å; E429-R433 VanDerWaalsContact OE1-CZ 3.24Å; E429-R433 IonicContact OE1-NE 3.64Å; E429-R433 PolarHBondContact OE1-NE 3.5Å; E429-R433 IonicContact OE1-NH2 3.5Å; E429-R433 PolarHBondContact OE1-NH2 2.93Å
430	D	97.2	Very high	96.1	Very high	5 Å²	5	43 Å²	43	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-38.9	175	-76.4	-25.7	0	0	0	111.7	W363 R367 L368 H371 N426 I427 R433 A434	W363-D430 HydrophobicContact CH2-CB 4.31Å; R367-D430 WeakPolarHBondContact CG-OD2 3.37Å; R367-D430 IonicContact NE-OD2 2.78Å; R367-D430 PolarHBondContact NE-OD2 2.88Å; L368-D430 HydrophobicContact CD2-CB 4.45Å; H371-D430 IonicContact CD2-OD2 3.21Å; H371-D430 IonicContact CE1-OD2 3.68Å; H371-D430 IonicContact NE2-OD2 2.79Å; H371-D430 PolarHBondContact NE2-OD2 2.96Å; N426-D430 PolarHBondContact O-N 2.95Å; N426-D430 VanDerWaalsContact O-N 3.16Å; I427-D430 PolarHBondContact O-N 3.38Å; D430-R433 PolarHBondContact O-N 2.96Å; D430-R433 IonicContact OD1-NH1 2.94Å; D430-A434 WeakPolarHBondContact O-CB 3.25Å; D430-A434 PolarHBondContact O-N 3.29Å
431	I	98.1	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-45.8	171.3	-73.2	-73.2	0	0	0	111.7	L364 L368 I427 I428 R433 A434 A435 I454 C457 L458 T509	L364-I431 HydrophobicContact CD1-CD1 4.15Å; L364-I431 HydrophobicContact CD2-CD1 4.03Å; L364-I431 HydrophobicContact CG-CD1 4.49Å; L368-I431 HydrophobicContact CD1-CD1 3.9Å; L368-I431 HydrophobicContact CD1-CG1 4.32Å; I427-I431 HydrophobicContact CG2-CG1 4.42Å; I427-I431 WeakPolarHBondContact O-CB 3.48Å; I427-I431 VanDerWaalsContact O-CG1 3.26Å; I427-I431 WeakPolarHBondContact O-CG1 3.21Å; I427-I431 PolarHBondContact O-N 3.44Å; I428-I431 PolarHBondContact O-N 3.46Å; I431-R433 VanDerWaalsContact C-N 3.34Å; I431-R433 PolarHBondContact O-N 3.16Å; I431-A434 PolarHBondContact O-N 3.23Å; I431-A435 WeakPolarHBondContact O-CB 3.2Å; I431-A435 PolarHBondContact O-N 3.44Å; I431-I454 HydrophobicContact CD1-CG2 4.08Å; I431-I454 HydrophobicContact CG2-CG2 3.82Å; I431-C457 HydrophobicContact CD1-CB 3.93Å; I431-L458 HydrophobicContact CD1-CB 4.01Å; I431-L458 HydrophobicContact CG1-CB 4.22Å; I431-L458 HydrophobicContact CG1-CD1 4.13Å; I431-L458 HydrophobicContact CG2-CB 4.29Å; I431-L458 HydrophobicContact CG2-CD1 4.32Å; I431-T509 HydrophobicContact CG2-CG2 4Å
432	R	97.6	Very high	96.3	Very high	59 Å²	59	39.5 Å²	39.5	22%	0.223	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-40	179.4	-76.4	176	172.1	160.4	0.1	111.9	I428 E429 K436 T509 E512 S513	I428-R432 HydrophobicContact CG2-CG 4.25Å; I428-R432 VanDerWaalsContact CG2-CZ 3.48Å; I428-R432 WeakPolarHBondContact O-CB 3.39Å; I428-R432 WeakPolarHBondContact O-CG 3.42Å; I428-R432 PolarHBondContact O-N 3.35Å; E429-R432 PolarHBondContact O-N 2.89Å; R432-K436 WeakPolarHBondContact O-CG 3.46Å; R432-K436 PolarHBondContact O-N 2.53Å; R432-T509 HydrophobicContact CG-CG2 4.22Å; R432-E512 IonicContact NH2-OE2 3.26Å; R432-S513 WeakPolarHBondContact CG-OG 3.31Å
433	R	96.3	Very high	96.2	Very high	103 Å²	103	38 Å²	38	39%	0.389	18%	0.182	S	C	.	.	H	α-helix	trans	-66	-45.6	175.7	-72	169.5	-172.6	171	1.2	111.2	E429 D430 I431 A435 K436 R437	E429-R433 VanDerWaalsContact CG-CZ 3.48Å; E429-R433 VanDerWaalsContact CG-NH2 3.31Å; E429-R433 VanDerWaalsContact O-CG 3.26Å; E429-R433 WeakPolarHBondContact O-CG 3.45Å; E429-R433 PolarHBondContact O-N 3.43Å; E429-R433 IonicContact OE1-CZ 2.67Å; E429-R433 VanDerWaalsContact OE1-CZ 3.24Å; E429-R433 IonicContact OE1-NE 3.64Å; E429-R433 PolarHBondContact OE1-NE 3.5Å; E429-R433 IonicContact OE1-NH2 3.5Å; E429-R433 PolarHBondContact OE1-NH2 2.93Å; D430-R433 PolarHBondContact O-N 2.96Å; D430-R433 IonicContact OD1-NH1 2.94Å; I431-R433 VanDerWaalsContact C-N 3.34Å; I431-R433 PolarHBondContact O-N 3.16Å; R433-A435 PolarHBondContact O-N 3.32Å; R433-K436 PolarHBondContact O-N 3.36Å; R433-R437 WeakPolarHBondContact O-CG 3.42Å; R433-R437 PolarHBondContact O-N 3.3Å
434	A	97	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-45.5	175.4	0	0	0	0	0	111.5	E360 L364 D430 I431 K436 R437 C438 I454	E360-A434 WeakPolarHBondContact OE1-CA 3.1Å; E360-A434 VanDerWaalsContact OE1-CB 3.23Å; E360-A434 WeakPolarHBondContact OE1-CB 3.1Å; L364-A434 HydrophobicContact CD1-CB 4.16Å; L364-A434 HydrophobicContact CD2-CB 4.05Å; D430-A434 WeakPolarHBondContact O-CB 3.25Å; D430-A434 PolarHBondContact O-N 3.29Å; I431-A434 PolarHBondContact O-N 3.23Å; A434-K436 PolarHBondContact O-N 3.12Å; A434-R437 PolarHBondContact O-N 3.01Å; A434-C438 WeakPolarHBondContact O-CB 3.46Å; A434-C438 PolarHBondContact O-N 3.33Å; A434-C438 PolarHBondContact O-SG 3.5Å; A434-I454 HydrophobicContact CB-CD1 4.32Å
435	A	97.3	Very high	95.9	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-45.6	177.3	0	0	0	0	0	112.2	I431 R433 C438 L439 I454 M517	I431-A435 WeakPolarHBondContact O-CB 3.2Å; I431-A435 PolarHBondContact O-N 3.44Å; R433-A435 PolarHBondContact O-N 3.32Å; A435-C438 PolarHBondContact O-N 2.83Å; A435-L439 WeakPolarHBondContact O-CB 3.32Å; A435-L439 PolarHBondContact O-N 3.33Å; A435-I454 HydrophobicContact CB-CD1 4.21Å; A435-M517 HydrophobicContact CB-SD 3.82Å
436	K	96.6	Very high	95.7	Very high	125 Å²	125	45.7 Å²	45.7	54%	0.543	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-43	176.2	-75.2	175.4	-177.1	175.1	0	112.4	R432 R433 A434 L440	R432-K436 WeakPolarHBondContact O-CG 3.46Å; R432-K436 PolarHBondContact O-N 2.53Å; R433-K436 PolarHBondContact O-N 3.36Å; A434-K436 PolarHBondContact O-N 3.12Å; K436-L440 PolarHBondContact O-N 2.94Å
437	R	96.2	Very high	95.7	Very high	14 Å²	14	43.7 Å²	43.7	5%	0.053	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-47.2	176	-73.3	-165.5	-65.6	-96.5	-1.9	111.1	L311 Y315 Y356 E360 R433 A434 L439 L440 L441	L311-R437 WeakPolarHBondContact O-CD 3.43Å; Y315-R437 HydrophobicContact CD2-CB 4.34Å; Y315-R437 HydrophobicContact CD2-CG 3.76Å; Y315-R437 HydrophobicContact CG-CG 3.96Å; Y356-R437 WeakPolarHBondContact OH-CB 3.35Å; Y356-R437 PolarHBondContact OH-O 2.84Å; E360-R437 IonicContact OE1-CZ 3.41Å; E360-R437 IonicContact OE1-NE 3.76Å; E360-R437 PolarHBondContact OE1-NE 2.74Å; E360-R437 IonicContact OE1-NH2 2.95Å; E360-R437 PolarHBondContact OE1-NH2 2.92Å; E360-R437 IonicContact OE2-CZ 2.7Å; E360-R437 IonicContact OE2-NE 3.39Å; E360-R437 PolarHBondContact OE2-NE 3.21Å; E360-R437 IonicContact OE2-NH2 3.83Å; R433-R437 WeakPolarHBondContact O-CG 3.42Å; R433-R437 PolarHBondContact O-N 3.3Å; A434-R437 PolarHBondContact O-N 3.01Å; R437-L439 VanDerWaalsContact C-N 3.33Å; R437-L439 PolarHBondContact O-N 3.37Å; R437-L440 PolarHBondContact O-N 3.35Å; R437-L440 VanDerWaalsContact O-N 3.12Å; R437-L441 HydrophobicContact CB-CD1 4.21Å; R437-L441 WeakPolarHBondContact O-CB 3.23Å; R437-L441 WeakPolarHBondContact O-CG 3.46Å; R437-L441 PolarHBondContact O-N 3.3Å
438	C	96.3	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-40.2	179.5	-77.6	0	0	0	0	112.4	Y356 A434 A435 L440 S442 I454 M517	Y356-C438 VanDerWaalsContact OH-CA 3.26Å; Y356-C438 WeakPolarHBondContact OH-CA 3.42Å; Y356-C438 PolarHBondContact OH-N 2.95Å; Y356-C438 PolarHBondContact OH-SG 2.93Å; A434-C438 WeakPolarHBondContact O-CB 3.46Å; A434-C438 PolarHBondContact O-N 3.33Å; A434-C438 PolarHBondContact O-SG 3.5Å; A435-C438 PolarHBondContact O-N 2.83Å; C438-L440 VanDerWaalsContact C-N 3.26Å; C438-L440 PolarHBondContact O-N 2.82Å; C438-S442 WeakPolarHBondContact O-CB 3.49Å; C438-S442 PolarHBondContact O-N 3.16Å; C438-S442 VanDerWaalsContact O-N 3.07Å; C438-S442 PolarHBondContact O-OG 2.94Å; C438-I454 HydrophobicContact CB-CD1 4.06Å; C438-M517 HydrophobicContact CB-CE 3.54Å
439	L	95	Very high	95.5	Very high	85 Å²	85	47.9 Å²	47.9	45%	0.445	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-32.5	177.5	-173.5	64.9	0	0	0	112.5	A435 R437 I447 M517	A435-L439 WeakPolarHBondContact O-CB 3.32Å; A435-L439 PolarHBondContact O-N 3.33Å; R437-L439 VanDerWaalsContact C-N 3.33Å; R437-L439 PolarHBondContact O-N 3.37Å; L439-I447 HydrophobicContact CD1-CD1 4.33Å; L439-I447 HydrophobicContact CD1-CG2 4.04Å; L439-M517 HydrophobicContact CD1-CG 4.34Å
440	L	94.9	Very high	95.4	Very high	43 Å²	43	45.6 Å²	45.6	23%	0.225	24%	0.237	C	C	.	.	H	α-helix	trans	-88.6	-43	-179.6	-176.4	63.3	0	0	0	113.5	Y315 Y318 R319 K436 R437 C438	Y315-L440 HydrophobicContact CD2-CB 4.33Å; Y315-L440 HydrophobicContact CD2-CD2 3.59Å; Y315-L440 HydrophobicContact CE2-CB 4.05Å; Y315-L440 HydrophobicContact CE2-CD2 3.37Å; Y315-L440 HydrophobicContact CE2-CG 4.35Å; Y318-L440 HydrophobicContact CD1-CD1 4.02Å; Y318-L440 HydrophobicContact CD1-CD2 3.92Å; Y318-L440 HydrophobicContact CD1-CG 3.74Å; Y318-L440 HydrophobicContact CE1-CD1 3.82Å; Y318-L440 HydrophobicContact CE1-CG 3.87Å; R319-L440 HydrophobicContact CB-CD2 4.25Å; K436-L440 PolarHBondContact O-N 2.94Å; R437-L440 PolarHBondContact O-N 3.35Å; R437-L440 VanDerWaalsContact O-N 3.12Å; C438-L440 VanDerWaalsContact C-N 3.26Å; C438-L440 PolarHBondContact O-N 2.82Å
441	L	95.7	Very high	95.4	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-94.4	-19.8	-167.7	-60.9	175.2	0	0	0	113.3	L314 Y318 L353 Y356 R437	L314-L441 HydrophobicContact CB-CD1 4.46Å; L314-L441 HydrophobicContact CD2-CD1 3.91Å; L314-L441 HydrophobicContact CG-CD1 3.84Å; L314-L441 HydrophobicContact CG-CD2 4.13Å; Y318-L441 HydrophobicContact CD1-CD2 4.05Å; Y318-L441 HydrophobicContact CD2-CD2 3.78Å; Y318-L441 HydrophobicContact CE2-CD2 4.41Å; Y318-L441 HydrophobicContact CG-CD2 3.55Å; L353-L441 HydrophobicContact CD2-CB 4.11Å; L353-L441 HydrophobicContact CD2-CD2 4.28Å; Y356-L441 HydrophobicContact CD1-CB 4.05Å; Y356-L441 HydrophobicContact CD2-CB 4.41Å; Y356-L441 HydrophobicContact CD2-CD1 3.94Å; Y356-L441 HydrophobicContact CE1-CB 3.77Å; Y356-L441 HydrophobicContact CE2-CB 4.12Å; Y356-L441 HydrophobicContact CE2-CD1 3.44Å; Y356-L441 VanDerWaalsContact CE2-CD1 3.44Å; Y356-L441 HydrophobicContact CE2-CG 4.42Å; Y356-L441 HydrophobicContact CG-CB 4.38Å; R437-L441 HydrophobicContact CB-CD1 4.21Å; R437-L441 WeakPolarHBondContact O-CB 3.23Å; R437-L441 WeakPolarHBondContact O-CG 3.46Å; R437-L441 PolarHBondContact O-N 3.3Å
442	S	94.4	Very high	95.3	Very high	17 Å²	17	47.1 Å²	47.1	12%	0.119	24%	0.243	C	C	.	.	S	Bend	trans	-80.4	153.8	-179.7	-49.7	0	0	0	0	111.9	C438 N450	C438-S442 WeakPolarHBondContact O-CB 3.49Å; C438-S442 PolarHBondContact O-N 3.16Å; C438-S442 VanDerWaalsContact O-N 3.07Å; C438-S442 PolarHBondContact O-OG 2.94Å; S442-N450 WeakPolarHBondContact CB-ND2 3.46Å; S442-N450 PolarHBondContact OG-ND2 3.1Å
443	Q	91.7	Very high	95.3	Very high	114 Å²	114	47.1 Å²	47.1	53%	0.533	25%	0.245	S	C	.	.			trans	-62.8	139.6	167.5	-64	-62.2	-19.9	0	0	110.3	T445 A446 I447	Q443-T445 PolarHBondContact O-N 3.38Å; Q443-A446 PolarHBondContact O-N 3.24Å; Q443-I447 WeakPolarHBondContact O-CG1 3.44Å; Q443-I447 PolarHBondContact O-N 3.41Å
444	P	90.9	Very high	95.4	Very high	97 Å²	97	42.2 Å²	42.2	63%	0.63	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.7	-177.6	-29.8	35.7	0	0	0	114.9	A446	P444-A446 VanDerWaalsContact C-N 3.34Å
445	T	92.4	Very high	95.4	Very high	123 Å²	123	42.3 Å²	42.3	76%	0.755	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-26	178.3	50.7	0	0	0	0	113.7	Q443	Q443-T445 PolarHBondContact O-N 3.38Å
446	A	93.4	Very high	95.4	Very high	30 Å²	30	45.6 Å²	45.6	25%	0.248	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-11.8	-178.5	0	0	0	0	0	113.2	Q443 P444 D449 N450	Q443-A446 PolarHBondContact O-N 3.24Å; P444-A446 VanDerWaalsContact C-N 3.34Å; A446-D449 PolarHBondContact O-N 2.98Å; A446-N450 WeakPolarHBondContact O-CB 3.44Å; A446-N450 PolarHBondContact O-N 2.69Å; A446-N450 PolarHBondContact O-ND2 2.9Å; A446-N450 PolarHBondContact O-OD1 3.22Å
447	I	95.6	Very high	95.5	Very high	24 Å²	24	40 Å²	40	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-55	-44.2	-178.4	-63.8	174.2	0	0	0	112.3	L439 Q443 D449 N450 G451 M517	L439-I447 HydrophobicContact CD1-CD1 4.33Å; L439-I447 HydrophobicContact CD1-CG2 4.04Å; Q443-I447 WeakPolarHBondContact O-CG1 3.44Å; Q443-I447 PolarHBondContact O-N 3.41Å; I447-D449 PolarHBondContact O-N 3.5Å; I447-N450 PolarHBondContact O-N 3.12Å; I447-G451 PolarHBondContact O-N 3.08Å; I447-M517 HydrophobicContact CG2-CB 3.83Å; I447-M517 HydrophobicContact CG2-CE 4.28Å; I447-M517 HydrophobicContact CG2-CG 4.32Å; I447-M517 WeakPolarHBondContact CG2-O 3.44Å
448	P	95.9	Very high	95.6	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.084	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-41.5	179.5	-24.5	36.3	0	0	0	113.3	G451 K452 N521 Y524	P448-G451 PolarHBondContact O-N 3.35Å; P448-K452 PolarHBondContact O-N 2.99Å; P448-N521 HydrophobicContact CB-CB 3.82Å; P448-N521 HydrophobicContact CG-CB 4.24Å; P448-Y524 HydrophobicContact CB-CD2 3.93Å; P448-Y524 HydrophobicContact CB-CE2 4.12Å; P448-Y524 WeakPolarHBondContact O-CD2 2.85Å
449	D	95.8	Very high	95.6	Very high	80 Å²	80	41.6 Å²	41.6	43%	0.428	23%	0.227	S	C	.	.	H	α-helix	trans	-65.7	-42.9	177.9	-63.5	-46.3	0	0	0	111	A446 I447 G451 K452 F453 Y524	A446-D449 PolarHBondContact O-N 2.98Å; I447-D449 PolarHBondContact O-N 3.5Å; D449-G451 VanDerWaalsContact C-N 3.33Å; D449-G451 PolarHBondContact O-N 3.35Å; D449-K452 WeakPolarHBondContact O-CB 3.21Å; D449-K452 PolarHBondContact O-N 2.93Å; D449-F453 PolarHBondContact O-N 3.45Å; D449-Y524 WeakPolarHBondContact OD1-CE2 3.31Å; D449-Y524 VanDerWaalsContact OD1-CZ 3.31Å; D449-Y524 PolarHBondContact OD1-OH 2.9Å
450	N	96	Very high	95.7	Very high	17 Å²	17	41 Å²	41	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-39.1	175.7	-64.2	-9.3	0	0	0	111.3	M357 S442 A446 I447 K452 F453 I454 M517	M357-N450 HydrophobicContact CE-CB 3.72Å; M357-N450 WeakPolarHBondContact CE-OD1 3.38Å; M357-N450 WeakPolarHBondContact CG-OD1 3.31Å; M357-N450 HydrophobicContact SD-CB 3.97Å; S442-N450 WeakPolarHBondContact CB-ND2 3.46Å; S442-N450 PolarHBondContact OG-ND2 3.1Å; A446-N450 WeakPolarHBondContact O-CB 3.44Å; A446-N450 PolarHBondContact O-N 2.69Å; A446-N450 PolarHBondContact O-ND2 2.9Å; A446-N450 PolarHBondContact O-OD1 3.22Å; I447-N450 PolarHBondContact O-N 3.12Å; N450-K452 VanDerWaalsContact C-N 3.35Å; N450-F453 WeakPolarHBondContact O-CB 3.17Å; N450-F453 PolarHBondContact O-N 3.39Å; N450-I454 WeakPolarHBondContact O-CG1 3.32Å; N450-I454 PolarHBondContact O-N 3.04Å; N450-M517 HydrophobicContact CB-CE 4.32Å
451	G	96.6	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-40.1	174.5	0	0	0	0	0	112.4	I447 P448 D449 I454 F455	I447-G451 PolarHBondContact O-N 3.08Å; P448-G451 PolarHBondContact O-N 3.35Å; D449-G451 VanDerWaalsContact C-N 3.33Å; D449-G451 PolarHBondContact O-N 3.35Å; G451-I454 PolarHBondContact O-N 3.33Å; G451-F455 PolarHBondContact O-N 3.3Å
452	K	96.2	Very high	95.9	Very high	37 Å²	37	40 Å²	40	16%	0.161	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-41.2	173.7	-177.9	66.8	177.8	-153.3	0	112.1	P448 D449 N450 F455 N456 Y524 E527 I528	P448-K452 PolarHBondContact O-N 2.99Å; D449-K452 WeakPolarHBondContact O-CB 3.21Å; D449-K452 PolarHBondContact O-N 2.93Å; N450-K452 VanDerWaalsContact C-N 3.35Å; K452-F455 WeakPolarHBondContact O-CB 3.44Å; K452-F455 PolarHBondContact O-N 2.7Å; K452-N456 VanDerWaalsContact O-CG 3.26Å; K452-N456 PolarHBondContact O-N 3.48Å; K452-N456 PolarHBondContact O-ND2 3.45Å; K452-Y524 HydrophobicContact CB-CD2 4.15Å; K452-Y524 HydrophobicContact CB-CE2 4.3Å; K452-E527 IonicContact NZ-OE2 3.41Å; K452-E527 PolarHBondContact NZ-OE2 2.81Å; K452-I528 HydrophobicContact CD-CD1 4.03Å; K452-I528 HydrophobicContact CD-CG1 4.21Å
453	F	97.2	Very high	96	Very high	58 Å²	58	39.6 Å²	39.6	25%	0.254	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-49.9	173.9	169.5	-95.4	0	0	0	111.7	M357 S361 L364 D449 N450 F455 N456 C457	M357-F453 HydrophobicContact CE-CB 4.23Å; M357-F453 HydrophobicContact CE-CD1 3.56Å; M357-F453 HydrophobicContact CE-CE1 4.2Å; M357-F453 HydrophobicContact CE-CG 4.04Å; S361-F453 VanDerWaalsContact CB-CZ 3.44Å; S361-F453 WeakPolarHBondContact OG-CE1 3.39Å; L364-F453 HydrophobicContact CD2-CE1 4.21Å; D449-F453 PolarHBondContact O-N 3.45Å; N450-F453 WeakPolarHBondContact O-CB 3.17Å; N450-F453 PolarHBondContact O-N 3.39Å; F453-F455 VanDerWaalsContact C-N 3.29Å; F453-F455 PolarHBondContact O-N 3.36Å; F453-N456 WeakPolarHBondContact O-CB 3.44Å; F453-N456 PolarHBondContact O-N 3.35Å; F453-C457 WeakPolarHBondContact CZ-SG 3.09Å; F453-C457 PolarHBondContact O-N 3.09Å
454	I	97.8	Very high	96.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-39.4	179.1	-67.7	175.8	0	0	0	111.2	L364 I431 A434 A435 C438 N450 G451 C457 L458 I514 M517	L364-I454 HydrophobicContact CD2-CG1 4.47Å; I431-I454 HydrophobicContact CD1-CG2 4.08Å; I431-I454 HydrophobicContact CG2-CG2 3.82Å; A434-I454 HydrophobicContact CB-CD1 4.32Å; A435-I454 HydrophobicContact CB-CD1 4.21Å; C438-I454 HydrophobicContact CB-CD1 4.06Å; N450-I454 WeakPolarHBondContact O-CG1 3.32Å; N450-I454 PolarHBondContact O-N 3.04Å; G451-I454 PolarHBondContact O-N 3.33Å; I454-C457 PolarHBondContact O-N 3.43Å; I454-L458 PolarHBondContact O-N 3.05Å; I454-I514 HydrophobicContact CG2-CG1 4.34Å; I454-M517 HydrophobicContact CD1-CE 4.03Å; I454-M517 HydrophobicContact CD1-SD 4.16Å
455	F	98	Very high	96.3	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-46.4	171.7	171.1	-99.4	0	0	0	112.3	G451 K452 F453 C457 L458 Y459 F506 I510 I514 I528 K531	G451-F455 PolarHBondContact O-N 3.3Å; K452-F455 WeakPolarHBondContact O-CB 3.44Å; K452-F455 PolarHBondContact O-N 2.7Å; F453-F455 VanDerWaalsContact C-N 3.29Å; F453-F455 PolarHBondContact O-N 3.36Å; F455-C457 VanDerWaalsContact C-N 3.3Å; F455-C457 PolarHBondContact O-N 3Å; F455-L458 PolarHBondContact O-N 3.24Å; F455-Y459 WeakPolarHBondContact O-CB 3.33Å; F455-Y459 PolarHBondContact O-N 3.14Å; F455-F506 HydrophobicContact CE2-CZ 4.21Å; F455-I510 HydrophobicContact CD2-CD1 4.29Å; F455-I510 HydrophobicContact CD2-CG1 4.22Å; F455-I510 HydrophobicContact CE2-CD1 3.81Å; F455-I510 HydrophobicContact CE2-CG1 4.25Å; F455-I514 HydrophobicContact CB-CD1 4.06Å; F455-I514 HydrophobicContact CB-CG2 3.94Å; F455-I514 HydrophobicContact CD2-CD1 4.18Å; F455-I528 HydrophobicContact CB-CD1 3.77Å; F455-I528 HydrophobicContact CB-CG1 4.37Å; F455-I528 HydrophobicContact CD1-CD1 3.94Å; F455-I528 HydrophobicContact CD1-CG1 3.61Å; F455-I528 HydrophobicContact CD2-CD1 4.16Å; F455-I528 HydrophobicContact CD2-CG1 4.06Å; F455-I528 HydrophobicContact CD2-CG2 3.78Å; F455-I528 HydrophobicContact CE1-CG1 3.82Å; F455-I528 HydrophobicContact CE2-CB 4.4Å; F455-I528 HydrophobicContact CE2-CG1 4.26Å; F455-I528 HydrophobicContact CE2-CG2 3.64Å; F455-I528 HydrophobicContact CG-CD1 3.66Å; F455-I528 HydrophobicContact CG-CG1 3.72Å; F455-I528 HydrophobicContact CG-CG2 4.33Å; F455-I528 HydrophobicContact CZ-CB 4.4Å; F455-I528 HydrophobicContact CZ-CG1 4.14Å; F455-I528 HydrophobicContact CZ-CG2 4.06Å; F455-K531 HydrophobicContact CE1-CB 4.27Å; F455-K531 HydrophobicContact CE1-CG 4.09Å; F455-K531 HydrophobicContact CZ-CB 4.08Å; F455-K531 HydrophobicContact CZ-CG 4Å
456	N	97.7	Very high	96.4	Very high	72 Å²	72	27.8 Å²	27.8	39%	0.385	14%	0.141	S	C	.	.	H	α-helix	trans	-61.6	-39.7	178.9	-68.3	-20.6	0	0	0	111.4	K452 F453 H460	K452-N456 VanDerWaalsContact O-CG 3.26Å; K452-N456 PolarHBondContact O-N 3.48Å; K452-N456 PolarHBondContact O-ND2 3.45Å; F453-N456 WeakPolarHBondContact O-CB 3.44Å; F453-N456 PolarHBondContact O-N 3.35Å; N456-H460 WeakPolarHBondContact O-CB 3.44Å; N456-H460 PolarHBondContact O-N 3.12Å
457	C	98	Very high	96.5	Very high	8 Å²	8	26.4 Å²	26.4	5%	0.054	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-51	172.7	-66.2	0	0	0	0	111.5	L364 L368 I431 F453 I454 F455 Y459 H460 Y461	L364-C457 HydrophobicContact CD2-CB 4.15Å; L368-C457 HydrophobicContact CD1-CB 3.98Å; I431-C457 HydrophobicContact CD1-CB 3.93Å; F453-C457 WeakPolarHBondContact CZ-SG 3.09Å; F453-C457 PolarHBondContact O-N 3.09Å; I454-C457 PolarHBondContact O-N 3.43Å; F455-C457 VanDerWaalsContact C-N 3.3Å; F455-C457 PolarHBondContact O-N 3Å; C457-Y459 PolarHBondContact O-N 3.49Å; C457-H460 PolarHBondContact O-N 3.37Å; C457-Y461 HydrophobicContact CB-CD2 4.3Å; C457-Y461 WeakPolarHBondContact O-CB 3.27Å; C457-Y461 VanDerWaalsContact O-CD2 3.25Å; C457-Y461 WeakPolarHBondContact O-CD2 3.2Å; C457-Y461 PolarHBondContact O-N 3.35Å
458	L	98.2	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57	-51.9	179.7	176.4	65.5	0	0	0	110.9	I428 I431 I454 F455 L462 F506 T509 I510 I514	I428-L458 HydrophobicContact CG1-CD1 4.25Å; I431-L458 HydrophobicContact CD1-CB 4.01Å; I431-L458 HydrophobicContact CG1-CB 4.22Å; I431-L458 HydrophobicContact CG1-CD1 4.13Å; I431-L458 HydrophobicContact CG2-CB 4.29Å; I431-L458 HydrophobicContact CG2-CD1 4.32Å; I454-L458 PolarHBondContact O-N 3.05Å; F455-L458 PolarHBondContact O-N 3.24Å; L458-L462 HydrophobicContact CD1-CB 4.24Å; L458-L462 HydrophobicContact CD1-CD2 3.79Å; L458-L462 WeakPolarHBondContact O-CB 3.44Å; L458-L462 PolarHBondContact O-N 3.19Å; L458-F506 HydrophobicContact CD1-CD2 4.27Å; L458-F506 HydrophobicContact CD2-CD2 3.73Å; L458-F506 HydrophobicContact CD2-CE2 3.92Å; L458-F506 HydrophobicContact CG-CD2 3.67Å; L458-F506 HydrophobicContact CG-CE2 3.82Å; L458-T509 HydrophobicContact CD1-CG2 4.42Å; L458-T509 HydrophobicContact CD2-CG2 3.84Å; L458-I510 HydrophobicContact CD2-CG1 4.06Å; L458-I514 HydrophobicContact CB-CD1 4.34Å; L458-I514 HydrophobicContact CD2-CD1 3.53Å
459	Y	95.9	Very high	96.3	Very high	48 Å²	48	27 Å²	27	19%	0.188	13%	0.132	C	C	.	.	I	π-helix	trans	-58.4	-52.1	177.9	155.3	-123.9	0	0	0	111.7	F455 C457 I463 V464 K531 L535	F455-Y459 WeakPolarHBondContact O-CB 3.33Å; F455-Y459 PolarHBondContact O-N 3.14Å; C457-Y459 PolarHBondContact O-N 3.49Å; Y459-I463 HydrophobicContact CD2-CB 4Å; Y459-I463 HydrophobicContact CD2-CG2 4.42Å; Y459-I463 HydrophobicContact CE2-CB 4.43Å; Y459-I463 HydrophobicContact CE2-CG2 4.47Å; Y459-I463 WeakPolarHBondContact O-CA 3.49Å; Y459-I463 VanDerWaalsContact O-CB 3.28Å; Y459-I463 WeakPolarHBondContact O-CB 3.37Å; Y459-I463 PolarHBondContact O-N 3.23Å; Y459-V464 HydrophobicContact CD2-CG2 4Å; Y459-V464 HydrophobicContact CE1-CG2 4.21Å; Y459-V464 HydrophobicContact CE2-CG2 3.18Å; Y459-V464 PolarHBondContact O-N 2.89Å; Y459-V464 VanDerWaalsContact O-N 3.14Å; Y459-V464 WeakPolarHBondContact OH-CG2 3.48Å; Y459-K531 VanDerWaalsContact CZ-CE 3.47Å; Y459-K531 WeakPolarHBondContact OH-CE 3.25Å; Y459-L535 HydrophobicContact CD2-CD1 3.15Å; Y459-L535 HydrophobicContact CD2-CD2 3.89Å; Y459-L535 HydrophobicContact CD2-CG 4.11Å; Y459-L535 HydrophobicContact CE2-CD1 3.41Å; Y459-L535 VanDerWaalsContact CE2-CD1 3.41Å; Y459-L535 HydrophobicContact CE2-CD2 3.16Å; Y459-L535 HydrophobicContact CE2-CG 3.85Å; Y459-L535 HydrophobicContact CG-CD1 3.98Å
460	H	97	Very high	96.1	Very high	73 Å²	73	23.3 Å²	23.3	34%	0.338	11%	0.112	S	C	.	.	I	π-helix	trans	-63	-54.3	-175.3	-178.6	66	0	0	0	111.4	N456 C457 V464 E465	N456-H460 WeakPolarHBondContact O-CB 3.44Å; N456-H460 PolarHBondContact O-N 3.12Å; C457-H460 PolarHBondContact O-N 3.37Å; H460-V464 VanDerWaalsContact O-CB 3.31Å; H460-V464 WeakPolarHBondContact O-CB 3.27Å; H460-V464 PolarHBondContact O-N 2.9Å; H460-E465 WeakPolarHBondContact O-CB 3.49Å; H460-E465 VanDerWaalsContact O-CG 3.31Å; H460-E465 WeakPolarHBondContact O-CG 3.11Å; H460-E465 PolarHBondContact O-N 3.03Å
461	Y	97.6	Very high	95.9	Very high	27 Å²	27	22.5 Å²	22.5	11%	0.106	11%	0.108	C	C	.	.	I	π-helix	trans	-75.2	-37.3	-173.6	-70	-74.7	0	0	0	113.3	T365 L368 T369 L372 C457	T365-Y461 HydrophobicContact CG2-CE2 4.49Å; T365-Y461 WeakPolarHBondContact CG2-OH 3.36Å; L368-Y461 HydrophobicContact CB-CD1 4.01Å; L368-Y461 HydrophobicContact CB-CD2 3.81Å; L368-Y461 HydrophobicContact CB-CE1 4.38Å; L368-Y461 HydrophobicContact CB-CE2 4.21Å; L368-Y461 HydrophobicContact CB-CG 3.72Å; L368-Y461 HydrophobicContact CD1-CD2 3.55Å; L368-Y461 HydrophobicContact CD1-CE2 4.2Å; L368-Y461 HydrophobicContact CD1-CG 4.07Å; L368-Y461 HydrophobicContact CG-CD2 4.35Å; T369-Y461 WeakPolarHBondContact OG1-CE1 3.36Å; T369-Y461 PolarHBondContact OG1-OH 3.23Å; L372-Y461 HydrophobicContact CD1-CD1 3.81Å; C457-Y461 HydrophobicContact CB-CD2 4.3Å; C457-Y461 WeakPolarHBondContact O-CB 3.27Å; C457-Y461 VanDerWaalsContact O-CD2 3.25Å; C457-Y461 WeakPolarHBondContact O-CD2 3.2Å; C457-Y461 PolarHBondContact O-N 3.35Å
462	L	97.7	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-84.8	-46.8	-178.5	-171	60.1	0	0	0	112.5	A424 I427 I428 L458 H466 V467 I502 F506	A424-L462 HydrophobicContact CB-CD1 3.6Å; I427-L462 HydrophobicContact CD1-CD1 4.33Å; I427-L462 HydrophobicContact CG2-CB 4.19Å; I427-L462 HydrophobicContact CG2-CD1 4.45Å; I428-L462 HydrophobicContact CD1-CD2 3.92Å; I428-L462 HydrophobicContact CG1-CD2 3.93Å; L458-L462 HydrophobicContact CD1-CB 4.24Å; L458-L462 HydrophobicContact CD1-CD2 3.79Å; L458-L462 WeakPolarHBondContact O-CB 3.44Å; L458-L462 PolarHBondContact O-N 3.19Å; L462-H466 WeakPolarHBondContact O-CB 3.45Å; L462-V467 WeakPolarHBondContact O-CG2 3.46Å; L462-V467 PolarHBondContact O-N 2.8Å; L462-V467 VanDerWaalsContact O-N 3.11Å; L462-I502 HydrophobicContact CD1-CG2 3.69Å; L462-I502 HydrophobicContact CD2-CG2 4.32Å; L462-I502 HydrophobicContact CG-CG2 3.98Å; L462-F506 HydrophobicContact CD2-CB 3.94Å; L462-F506 HydrophobicContact CD2-CD2 4.32Å
463	I	97.4	Very high	95.2	Very high	8 Å²	8	23 Å²	23	4%	0.041	11%	0.113	C	C	.	.	I	π-helix	trans	-90.2	-51.1	-173.3	-55.9	-57	0	0	0	111.4	Y459 V467 D468 F503 F506 L535	Y459-I463 HydrophobicContact CD2-CB 4Å; Y459-I463 HydrophobicContact CD2-CG2 4.42Å; Y459-I463 HydrophobicContact CE2-CB 4.43Å; Y459-I463 HydrophobicContact CE2-CG2 4.47Å; Y459-I463 WeakPolarHBondContact O-CA 3.49Å; Y459-I463 VanDerWaalsContact O-CB 3.28Å; Y459-I463 WeakPolarHBondContact O-CB 3.37Å; Y459-I463 PolarHBondContact O-N 3.23Å; I463-V467 HydrophobicContact CD1-CG2 4.36Å; I463-V467 PolarHBondContact O-N 2.98Å; I463-D468 WeakPolarHBondContact O-CB 3.32Å; I463-D468 PolarHBondContact O-N 3.41Å; I463-F503 HydrophobicContact CD1-CD2 3.84Å; I463-F503 HydrophobicContact CD1-CE2 4.22Å; I463-F506 HydrophobicContact CD1-CB 3.9Å; I463-F506 HydrophobicContact CD1-CD1 3.98Å; I463-F506 HydrophobicContact CD1-CD2 4Å; I463-F506 HydrophobicContact CD1-CE1 4.47Å; I463-F506 HydrophobicContact CD1-CG 3.7Å; I463-F506 HydrophobicContact CG1-CD1 4.05Å; I463-F506 HydrophobicContact CG1-CD2 3.7Å; I463-F506 HydrophobicContact CG1-CE1 4.07Å; I463-F506 HydrophobicContact CG1-CE2 3.74Å; I463-F506 HydrophobicContact CG1-CG 3.86Å; I463-F506 HydrophobicContact CG1-CZ 3.9Å; I463-L535 HydrophobicContact CG2-CB 4.44Å; I463-L535 HydrophobicContact CG2-CD1 4.41Å; I463-L535 HydrophobicContact CG2-CD2 4.22Å
464	V	94.9	Very high	94.7	Very high	37 Å²	37	20.9 Å²	20.9	22%	0.224	11%	0.107	C	C	.	.	I	π-helix	trans	-74	-55.2	-176.7	-176.2	0	0	0	0	110.8	Y459 H460 H466 Y469	Y459-V464 HydrophobicContact CD2-CG2 4Å; Y459-V464 HydrophobicContact CE1-CG2 4.21Å; Y459-V464 HydrophobicContact CE2-CG2 3.18Å; Y459-V464 PolarHBondContact O-N 2.89Å; Y459-V464 VanDerWaalsContact O-N 3.14Å; Y459-V464 WeakPolarHBondContact OH-CG2 3.48Å; H460-V464 VanDerWaalsContact O-CB 3.31Å; H460-V464 WeakPolarHBondContact O-CB 3.27Å; H460-V464 PolarHBondContact O-N 2.9Å; V464-H466 VanDerWaalsContact C-N 3.34Å; V464-H466 PolarHBondContact O-N 3.44Å; V464-Y469 PolarHBondContact O-N 2.72Å
465	E	92.7	Very high	94.2	Very high	50 Å²	50	21.7 Å²	21.7	23%	0.234	11%	0.111	C	C	.	.	I	π-helix	trans	-77.7	-23	-166.4	-66.6	-72.7	92	0	0	113.2	L372 Y376 K383 H460 Y469	L372-E465 HydrophobicContact CD1-CB 3.57Å; L372-E465 HydrophobicContact CD1-CG 4.46Å; Y376-E465 PolarHBondContact OH-O 2.94Å; K383-E465 WeakPolarHBondContact CE-OE2 3.32Å; K383-E465 VanDerWaalsContact NZ-CA 3.34Å; K383-E465 PolarHBondContact NZ-O 3.29Å; K383-E465 IonicContact NZ-OE1 3.97Å; K383-E465 PolarHBondContact NZ-OE1 3.19Å; K383-E465 IonicContact NZ-OE2 3.45Å; K383-E465 PolarHBondContact NZ-OE2 3.43Å; H460-E465 WeakPolarHBondContact O-CB 3.49Å; H460-E465 VanDerWaalsContact O-CG 3.31Å; H460-E465 WeakPolarHBondContact O-CG 3.11Å; H460-E465 PolarHBondContact O-N 3.03Å; E465-Y469 WeakPolarHBondContact O-CB 3.44Å
466	H	94.6	Very high	93.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-112.5	-67.8	-177.8	-172.2	56.1	0	0	0	112.9	L372 Y375 Y376 L419 S420 L462 V464 G470	L372-H466 HydrophobicContact CD2-CB 3.87Å; Y375-H466 AromaticContact CE1-CE1 3.63Å; Y375-H466 AromaticContact CE1-ND1 3.97Å; Y376-H466 WeakPolarHBondContact OH-CA 3.37Å; L419-H466 WeakPolarHBondContact CD2-O 3.29Å; S420-H466 PolarHBondContact N-CE1 2.98Å; S420-H466 PolarHBondContact N-NE2 3.01Å; S420-H466 PolarHBondContact O-NE2 3.24Å; S420-H466 VanDerWaalsContact O-NE2 3.14Å; L462-H466 WeakPolarHBondContact O-CB 3.45Å; V464-H466 VanDerWaalsContact C-N 3.34Å; V464-H466 PolarHBondContact O-N 3.44Å; H466-G470 PolarHBondContact O-N 2.98Å
467	V	96	Very high	92.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-64	-57.6	-174.9	175	0	0	0	0	112.2	L462 I463 Y469 G470 V471 A499 I502 L539	L462-V467 WeakPolarHBondContact O-CG2 3.46Å; L462-V467 PolarHBondContact O-N 2.8Å; L462-V467 VanDerWaalsContact O-N 3.11Å; I463-V467 HydrophobicContact CD1-CG2 4.36Å; I463-V467 PolarHBondContact O-N 2.98Å; V467-Y469 PolarHBondContact O-N 2.93Å; V467-G470 PolarHBondContact O-N 3.13Å; V467-V471 HydrophobicContact CG1-CG2 4.38Å; V467-V471 WeakPolarHBondContact O-CB 3.47Å; V467-V471 VanDerWaalsContact O-CG2 3.25Å; V467-V471 WeakPolarHBondContact O-CG2 3.48Å; V467-V471 PolarHBondContact O-N 3.17Å; V467-A499 HydrophobicContact CG1-CB 3.96Å; V467-I502 HydrophobicContact CG2-CB 4.05Å; V467-I502 HydrophobicContact CG2-CD1 4.46Å; V467-I502 HydrophobicContact CG2-CG2 3.47Å; V467-I502 VanDerWaalsContact CG2-CG2 3.47Å; V467-L539 HydrophobicContact CG1-CD1 3.94Å; V467-L539 HydrophobicContact CG1-CD2 4.09Å
468	D	94.5	Very high	91.9	Very high	39 Å²	39	22.4 Å²	22.4	21%	0.209	12%	0.116	C	C	.	.	I	π-helix	trans	-63.3	-43.7	-176.3	-178.5	36.8	0	0	0	111.7	I463 V471 T472 K542	I463-D468 WeakPolarHBondContact O-CB 3.32Å; I463-D468 PolarHBondContact O-N 3.41Å; D468-V471 PolarHBondContact O-N 3.03Å; D468-T472 WeakPolarHBondContact O-CB 3.29Å; D468-T472 PolarHBondContact O-N 2.93Å; D468-T472 PolarHBondContact O-OG1 3.13Å; D468-T472 PolarHBondContact OD1-OG1 3.27Å; D468-K542 WeakPolarHBondContact OD1-CE 3.32Å; D468-K542 IonicContact OD1-NZ 2.69Å; D468-K542 PolarHBondContact OD1-NZ 3.46Å; D468-K542 IonicContact OD2-NZ 3.59Å
469	Y	92.3	Very high	91	Very high	12 Å²	12	27 Å²	27	5%	0.047	14%	0.14	C	C	.	.	H	α-helix	trans	-58.9	-49.5	174.9	-176.9	-108.3	0	0	0	111.9	Y376 H381 K383 R384 L386 V464 E465 V467 T472 I473	Y376-Y469 HydrophobicContact CE1-CD1 4.13Å; Y376-Y469 HydrophobicContact CE1-CE1 4.13Å; Y376-Y469 AromaticContact CZ-CD1 3.86Å; Y376-Y469 WeakPolarHBondContact OH-CD1 2.94Å; H381-Y469 AromaticContact CD2-CE1 3.7Å; H381-Y469 PolarHBondContact CE1-OH 3.21Å; H381-Y469 AromaticContact NE2-CE1 3.22Å; H381-Y469 WeakPolarHBondContact NE2-CE1 3.49Å; H381-Y469 AromaticContact NE2-CZ 3.4Å; H381-Y469 PolarHBondContact NE2-OH 3.34Å; K383-Y469 WeakPolarHBondContact CA-OH 3.23Å; K383-Y469 HydrophobicContact CG-CE1 4.2Å; K383-Y469 HydrophobicContact CG-CE2 4.12Å; R384-Y469 PolarHBondContact N-OH 3.46Å; L386-Y469 HydrophobicContact CD1-CD2 3.81Å; L386-Y469 HydrophobicContact CD1-CE2 3.93Å; L386-Y469 HydrophobicContact CG-CE2 4.29Å; V464-Y469 PolarHBondContact O-N 2.72Å; E465-Y469 WeakPolarHBondContact O-CB 3.44Å; V467-Y469 PolarHBondContact O-N 2.93Å; Y469-T472 PolarHBondContact O-N 3.48Å; Y469-I473 HydrophobicContact CE1-CG1 4.25Å; Y469-I473 HydrophobicContact CE2-CD1 4.27Å; Y469-I473 HydrophobicContact CE2-CG1 4.18Å; Y469-I473 WeakPolarHBondContact O-CG1 3.39Å; Y469-I473 PolarHBondContact O-N 3.26Å
470	G	91	Very high	89.9	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-44.9	179	0	0	0	0	0	112.9	H466 V467 T472 I473 G474	H466-G470 PolarHBondContact O-N 2.98Å; V467-G470 PolarHBondContact O-N 3.13Å; G470-T472 VanDerWaalsContact C-N 3.35Å; G470-T472 PolarHBondContact O-N 3.1Å; G470-I473 PolarHBondContact O-N 2.94Å; G470-G474 PolarHBondContact O-N 2.96Å
471	V	93	Very high	88.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-42.3	176.2	172.6	0	0	0	0	111.1	L419 V467 D468 G474 L475 F492 I495 A499 L539 K542 F543	L419-V471 HydrophobicContact CD1-CG2 4.34Å; V467-V471 HydrophobicContact CG1-CG2 4.38Å; V467-V471 WeakPolarHBondContact O-CB 3.47Å; V467-V471 VanDerWaalsContact O-CG2 3.25Å; V467-V471 WeakPolarHBondContact O-CG2 3.48Å; V467-V471 PolarHBondContact O-N 3.17Å; D468-V471 PolarHBondContact O-N 3.03Å; V471-G474 PolarHBondContact O-N 3.42Å; V471-L475 HydrophobicContact CG1-CD1 4.41Å; V471-L475 WeakPolarHBondContact O-CG 3.44Å; V471-L475 PolarHBondContact O-N 3.44Å; V471-F492 HydrophobicContact CG1-CE2 4.4Å; V471-F492 HydrophobicContact CG1-CZ 4.33Å; V471-I495 HydrophobicContact CB-CG2 4.45Å; V471-I495 HydrophobicContact CG2-CG2 3.83Å; V471-A499 HydrophobicContact CG2-CB 3.96Å; V471-L539 HydrophobicContact CB-CD1 4.5Å; V471-L539 HydrophobicContact CG1-CD1 4.43Å; V471-L539 HydrophobicContact CG2-CD1 3.96Å; V471-K542 HydrophobicContact CG1-CB 3.87Å; V471-K542 HydrophobicContact CG1-CD 4.42Å; V471-F543 HydrophobicContact CG1-CD1 4.41Å; V471-F543 HydrophobicContact CG1-CE1 4.31Å; V471-F543 HydrophobicContact CG2-CE1 4Å
472	T	90.8	Very high	87.1	Confident	23 Å²	23	29.6 Å²	29.6	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-42.3	179.5	-62.3	0	0	0	0	111.3	L386 D468 Y469 G470 L475 H476	L386-T472 HydrophobicContact CD1-CG2 3.65Å; D468-T472 WeakPolarHBondContact O-CB 3.29Å; D468-T472 PolarHBondContact O-N 2.93Å; D468-T472 PolarHBondContact O-OG1 3.13Å; D468-T472 PolarHBondContact OD1-OG1 3.27Å; Y469-T472 PolarHBondContact O-N 3.48Å; G470-T472 VanDerWaalsContact C-N 3.35Å; G470-T472 PolarHBondContact O-N 3.1Å; T472-L475 PolarHBondContact O-N 3.06Å; T472-H476 PolarHBondContact O-N 3.34Å; T472-H476 VanDerWaalsContact O-N 3.08Å; T472-H476 PolarHBondContact O-ND1 2.88Å
473	I	87.1	Confident	85.5	Confident	25 Å²	25	31.2 Å²	31.2	13%	0.128	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-43.2	174	-65.3	-63	0	0	0	111.1	L386 L418 Y469 G470 L475 H476 G477	L386-I473 HydrophobicContact CD2-CD1 4.27Å; L418-I473 HydrophobicContact CD1-CB 4.15Å; L418-I473 HydrophobicContact CD1-CG1 4.28Å; L418-I473 HydrophobicContact CD1-CG2 3.83Å; Y469-I473 HydrophobicContact CE1-CG1 4.25Å; Y469-I473 HydrophobicContact CE2-CD1 4.27Å; Y469-I473 HydrophobicContact CE2-CG1 4.18Å; Y469-I473 WeakPolarHBondContact O-CG1 3.39Å; Y469-I473 PolarHBondContact O-N 3.26Å; G470-I473 PolarHBondContact O-N 2.94Å; I473-L475 VanDerWaalsContact C-N 3.33Å; I473-L475 PolarHBondContact O-N 2.9Å; I473-H476 WeakPolarHBondContact O-CB 3.49Å; I473-H476 PolarHBondContact O-N 2.9Å; I473-G477 PolarHBondContact O-N 3.18Å
474	G	86	Confident	84	Confident	13 Å²	13	38.4 Å²	38.4	13%	0.134	20%	0.203	C	C	.	.	H	α-helix	trans	-56.1	-45	174	0	0	0	0	0	112.7	G470 V471 H476 G477 L478	G470-G474 PolarHBondContact O-N 2.96Å; V471-G474 PolarHBondContact O-N 3.42Å; G474-H476 VanDerWaalsContact C-N 3.29Å; G474-H476 PolarHBondContact O-N 3.43Å; G474-G477 PolarHBondContact O-N 2.75Å; G474-L478 PolarHBondContact O-N 2.94Å
475	L	87.6	Confident	82.5	Confident	18 Å²	18	41 Å²	41	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-33.6	175.1	-77.9	176.4	0	0	0	113.4	V471 T472 I473 L478 N479 F492 K542	V471-L475 HydrophobicContact CG1-CD1 4.41Å; V471-L475 WeakPolarHBondContact O-CG 3.44Å; V471-L475 PolarHBondContact O-N 3.44Å; T472-L475 PolarHBondContact O-N 3.06Å; I473-L475 VanDerWaalsContact C-N 3.33Å; I473-L475 PolarHBondContact O-N 2.9Å; L475-L478 HydrophobicContact CD2-CD1 4.45Å; L475-N479 PolarHBondContact O-ND2 2.86Å; L475-F492 HydrophobicContact CB-CE2 4.48Å; L475-F492 HydrophobicContact CD2-CE1 4.27Å; L475-F492 HydrophobicContact CD2-CE2 3.66Å; L475-F492 HydrophobicContact CD2-CZ 3.49Å; L475-F492 VanDerWaalsContact CD2-CZ 3.49Å; L475-F492 HydrophobicContact CG-CE2 3.66Å; L475-F492 HydrophobicContact CG-CZ 3.82Å; L475-K542 HydrophobicContact CD1-CB 3.91Å; L475-K542 HydrophobicContact CD1-CG 3.99Å
476	H	84.6	Confident	81.2	Confident	69 Å²	69	41.7 Å²	41.7	32%	0.319	23%	0.233	S	C	.	.	H	α-helix	trans	-72	-38	175	-75.2	86.4	0	0	0	111.7	T472 I473 G474 L478 N479	T472-H476 PolarHBondContact O-N 3.34Å; T472-H476 VanDerWaalsContact O-N 3.08Å; T472-H476 PolarHBondContact O-ND1 2.88Å; I473-H476 WeakPolarHBondContact O-CB 3.49Å; I473-H476 PolarHBondContact O-N 2.9Å; G474-H476 VanDerWaalsContact C-N 3.29Å; G474-H476 PolarHBondContact O-N 3.43Å; H476-L478 VanDerWaalsContact C-N 3.26Å; H476-L478 PolarHBondContact O-N 2.95Å; H476-N479 WeakPolarHBondContact O-CB 3.39Å; H476-N479 PolarHBondContact O-N 3.41Å
477	G	79.8	Confident	80.1	Confident	14 Å²	14	45.5 Å²	45.5	14%	0.144	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-40.3	174.3	0	0	0	0	0	112.6	I473 G474 N479 I480	I473-G477 PolarHBondContact O-N 3.18Å; G474-G477 PolarHBondContact O-N 2.75Å; G477-N479 PolarHBondContact O-N 3.19Å; G477-I480 PolarHBondContact O-N 3.42Å; G477-I480 VanDerWaalsContact O-N 3.14Å
478	L	82.4	Confident	78.8	Confident	14 Å²	14	46 Å²	46	7%	0.073	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-27	175.6	-65.1	178.9	0	0	0	113.9	G474 L475 H476 I480 F492 K549 L553	G474-L478 PolarHBondContact O-N 2.94Å; L475-L478 HydrophobicContact CD2-CD1 4.45Å; H476-L478 VanDerWaalsContact C-N 3.26Å; H476-L478 PolarHBondContact O-N 2.95Å; L478-I480 VanDerWaalsContact C-N 3.33Å; L478-F492 HydrophobicContact CD1-CB 3.99Å; L478-F492 HydrophobicContact CD1-CD1 4.19Å; L478-F492 HydrophobicContact CD1-CD2 3.98Å; L478-F492 HydrophobicContact CD1-CG 3.76Å; L478-F492 HydrophobicContact CD2-CB 4.2Å; L478-F492 HydrophobicContact CG-CB 4.36Å; L478-K549 HydrophobicContact CB-CB 4.49Å; L478-K549 HydrophobicContact CB-CD 4.45Å; L478-K549 HydrophobicContact CD1-CB 4.08Å; L478-L553 HydrophobicContact CB-CD1 4.36Å; L478-L553 HydrophobicContact CD2-CD1 4.1Å
479	N	77.5	Confident	77.6	Confident	96 Å²	96	46.9 Å²	46.9	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-78	-19.2	179.1	-62.8	-37.9	0	0	0	113.3	L475 H476 G477 K549	L475-N479 PolarHBondContact O-ND2 2.86Å; H476-N479 WeakPolarHBondContact O-CB 3.39Å; H476-N479 PolarHBondContact O-N 3.41Å; G477-N479 PolarHBondContact O-N 3.19Å; N479-K549 WeakPolarHBondContact OD1-CE 3.47Å; N479-K549 PolarHBondContact OD1-NZ 3.17Å
480	I	72.6	Confident	76.9	Confident	109 Å²	109	46.8 Å²	46.8	56%	0.559	26%	0.262	S	S	*	.	H	α-helix	trans	-90.5	-22.4	-175.5	-59.3	169.1	0	0	0	110.7	Y414 G477 L478 D482	Y414-I480 HydrophobicContact CE1-CD1 4Å; Y414-I480 HydrophobicContact CE2-CD1 3.99Å; G477-I480 PolarHBondContact O-N 3.42Å; G477-I480 VanDerWaalsContact O-N 3.14Å; L478-I480 VanDerWaalsContact C-N 3.33Å; I480-D482 PolarHBondContact O-N 2.92Å
481	A	67.8	Low	76.5	Confident	38 Å²	38	48 Å²	48	31%	0.314	27%	0.269	S	S	.	.			trans	-59.1	120	-178.2	0	0	0	0	0	112.3	P483 L553	A481-P483 WeakPolarHBondContact O-CD 3.44Å; A481-L553 HydrophobicContact CB-CD1 4.27Å; A481-L553 HydrophobicContact CB-CD2 4.29Å
482	D	69.5	Low	76.3	Confident	56 Å²	56	48.2 Å²	48.2	30%	0.299	27%	0.27	S	S	.	.			trans	-93.2	112.4	170.3	-169.9	-21.1	0	0	0	109.8	I480 R484 S485	I480-D482 PolarHBondContact O-N 2.92Å; D482-R484 PolarHBondContact O-N 3.21Å; D482-R484 VanDerWaalsContact OD1-CB 3.28Å; D482-R484 WeakPolarHBondContact OD1-CB 3.37Å; D482-R484 WeakPolarHBondContact OD1-CG 3.08Å; D482-R484 IonicContact OD1-CZ 3.12Å; D482-R484 PolarHBondContact OD1-N 3.18Å; D482-R484 IonicContact OD1-NE 2.92Å; D482-R484 PolarHBondContact OD1-NE 3.05Å; D482-R484 IonicContact OD1-NH2 3.25Å; D482-R484 IonicContact OD2-CZ 3.21Å; D482-R484 IonicContact OD2-NE 3.33Å; D482-R484 PolarHBondContact OD2-NE 3.38Å; D482-R484 IonicContact OD2-NH2 3.3Å; D482-R484 PolarHBondContact OD2-NH2 2.85Å; D482-S485 PolarHBondContact O-N 2.95Å; D482-S485 VanDerWaalsContact O-N 3.12Å; D482-S485 PolarHBondContact O-OG 3.41Å
483	P	63.8	Low	76.3	Confident	34 Å²	34	47.1 Å²	47.1	22%	0.221	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.4	-178.9	24.8	-33.8	0	0	0	114	A481 R557	A481-P483 WeakPolarHBondContact O-CD 3.44Å; P483-R557 VanDerWaalsContact O-CD 3.24Å; P483-R557 WeakPolarHBondContact O-CD 3.35Å; P483-R557 PolarHBondContact O-NH1 3Å
484	R	65.1	Low	76.3	Confident	158 Å²	158	47 Å²	47	60%	0.596	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-27	178.7	-61.7	173.3	-71.9	-173.8	2	113.1	D482 Y560	D482-R484 PolarHBondContact O-N 3.21Å; D482-R484 VanDerWaalsContact OD1-CB 3.28Å; D482-R484 WeakPolarHBondContact OD1-CB 3.37Å; D482-R484 WeakPolarHBondContact OD1-CG 3.08Å; D482-R484 IonicContact OD1-CZ 3.12Å; D482-R484 PolarHBondContact OD1-N 3.18Å; D482-R484 IonicContact OD1-NE 2.92Å; D482-R484 PolarHBondContact OD1-NE 3.05Å; D482-R484 IonicContact OD1-NH2 3.25Å; D482-R484 IonicContact OD2-CZ 3.21Å; D482-R484 IonicContact OD2-NE 3.33Å; D482-R484 PolarHBondContact OD2-NE 3.38Å; D482-R484 IonicContact OD2-NH2 3.3Å; D482-R484 PolarHBondContact OD2-NH2 2.85Å; R484-Y560 HydrophobicContact CB-CD2 4.29Å; R484-Y560 HydrophobicContact CB-CE2 3.98Å; R484-Y560 HydrophobicContact CG-CD2 3.79Å; R484-Y560 HydrophobicContact CG-CE2 3.82Å
485	S	64.3	Low	76.6	Confident	93 Å²	93	46.6 Å²	46.6	65%	0.65	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-38	-168.8	74.9	0	0	0	0	114	D482	D482-S485 PolarHBondContact O-N 2.95Å; D482-S485 VanDerWaalsContact O-N 3.12Å; D482-S485 PolarHBondContact O-OG 3.41Å
486	S	66	Low	76.9	Confident	63 Å²	63	45.9 Å²	45.9	44%	0.441	26%	0.256	S	S	.	.	S	Bend	trans	-150.8	166.9	-175.7	64.9	0	0	0	0	111.4
487	N	70.2	Confident	77.2	Confident	81 Å²	81	46.7 Å²	46.7	43%	0.433	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-60.3	142.1	168	-68.9	-17.8	0	0	0	109.2	N489 R557 F597	N487-N489 PolarHBondContact O-N 3.45Å; N487-R557 PolarHBondContact OD1-NE 3.49Å; N487-F597 HydrophobicContact CB-CE2 4.29Å
488	P	69.6	Low	77.8	Confident	11 Å²	11	48.4 Å²	48.4	7%	0.071	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-58.2	133.9	175.2	24.8	-33.9	0	0	0	109.4	L490 L553 F597	P488-L490 PolarHBondContact O-N 2.88Å; P488-L553 HydrophobicContact CB-CB 4.15Å; P488-F597 HydrophobicContact CG-CE2 3.97Å; P488-F597 HydrophobicContact CG-CZ 3.66Å
489	N	69.8	Low	78.5	Confident	56 Å²	56	47.7 Å²	47.7	30%	0.299	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-72.2	117.6	172.3	-171	-11.9	0	0	0	109.3	D415 N487 V491	D415-N489 VanDerWaalsContact CA-ND2 3.33Å; D415-N489 WeakPolarHBondContact CA-ND2 3.36Å; D415-N489 PolarHBondContact OD1-ND2 2.73Å; N487-N489 PolarHBondContact O-N 3.45Å; N489-V491 VanDerWaalsContact C-N 3.32Å; N489-V491 VanDerWaalsContact OD1-CB 3.29Å; N489-V491 WeakPolarHBondContact OD1-CB 3.47Å; N489-V491 WeakPolarHBondContact OD1-CG2 3.34Å; N489-V491 PolarHBondContact OD1-N 3.36Å
490	L	76.8	Confident	79.2	Confident	11 Å²	11	46.1 Å²	46.1	6%	0.058	25%	0.254	C	S	.	.			trans	-91.8	13.9	-179	-60.4	177.4	0	0	0	113.2	P488 F492 F493 I601 E604	P488-L490 PolarHBondContact O-N 2.88Å; L490-F492 PolarHBondContact O-N 2.94Å; L490-F493 HydrophobicContact CB-CD2 3.89Å; L490-F493 HydrophobicContact CB-CE2 4.07Å; L490-F493 HydrophobicContact CD1-CD2 4.47Å; L490-F493 HydrophobicContact CD1-CE2 4Å; L490-F493 HydrophobicContact CD2-CD2 4.41Å; L490-F493 HydrophobicContact CD2-CE2 3.76Å; L490-F493 HydrophobicContact CD2-CZ 4.04Å; L490-F493 HydrophobicContact CG-CD2 4.47Å; L490-F493 HydrophobicContact CG-CE2 4.15Å; L490-F493 WeakPolarHBondContact O-CB 3.42Å; L490-F493 PolarHBondContact O-N 3Å; L490-I601 HydrophobicContact CD1-CG1 4.05Å; L490-E604 HydrophobicContact CB-CB 4.39Å; L490-E604 HydrophobicContact CB-CG 4.49Å; L490-E604 HydrophobicContact CD1-CB 3.79Å; L490-E604 HydrophobicContact CD1-CG 3.81Å
491	V	81.8	Confident	80.3	Confident	27 Å²	27	42.4 Å²	42.4	16%	0.164	24%	0.237	C	C	.	.	H	α-helix	trans	-51.8	-24.2	172.1	163.8	0	0	0	0	112.6	D415 N489 F493 S494 I495	D415-V491 VanDerWaalsContact O-CG2 3.27Å; D415-V491 WeakPolarHBondContact O-CG2 3.34Å; N489-V491 VanDerWaalsContact C-N 3.32Å; N489-V491 VanDerWaalsContact OD1-CB 3.29Å; N489-V491 WeakPolarHBondContact OD1-CB 3.47Å; N489-V491 WeakPolarHBondContact OD1-CG2 3.34Å; N489-V491 PolarHBondContact OD1-N 3.36Å; V491-F493 PolarHBondContact O-N 3.18Å; V491-S494 PolarHBondContact O-N 2.79Å; V491-S494 PolarHBondContact O-OG 3.21Å; V491-I495 HydrophobicContact CG1-CD1 3.93Å; V491-I495 HydrophobicContact CG1-CG1 4.18Å; V491-I495 WeakPolarHBondContact O-CG1 3.48Å; V491-I495 PolarHBondContact O-N 2.98Å
492	F	89.1	Confident	81.7	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-28	174.1	-161.1	-100	0	0	0	113.5	V471 L475 L478 L490 I495 I496 G546	V471-F492 HydrophobicContact CG1-CE2 4.4Å; V471-F492 HydrophobicContact CG1-CZ 4.33Å; L475-F492 HydrophobicContact CB-CE2 4.48Å; L475-F492 HydrophobicContact CD2-CE1 4.27Å; L475-F492 HydrophobicContact CD2-CE2 3.66Å; L475-F492 HydrophobicContact CD2-CZ 3.49Å; L475-F492 VanDerWaalsContact CD2-CZ 3.49Å; L475-F492 HydrophobicContact CG-CE2 3.66Å; L475-F492 HydrophobicContact CG-CZ 3.82Å; L478-F492 HydrophobicContact CD1-CB 3.99Å; L478-F492 HydrophobicContact CD1-CD1 4.19Å; L478-F492 HydrophobicContact CD1-CD2 3.98Å; L478-F492 HydrophobicContact CD1-CG 3.76Å; L478-F492 HydrophobicContact CD2-CB 4.2Å; L478-F492 HydrophobicContact CG-CB 4.36Å; L490-F492 PolarHBondContact O-N 2.94Å; F492-I495 HydrophobicContact CD2-CD1 4.35Å; F492-I495 HydrophobicContact CD2-CG2 4.48Å; F492-I495 HydrophobicContact CE2-CG2 4.38Å; F492-I495 PolarHBondContact O-N 2.9Å; F492-I496 HydrophobicContact CD1-CD1 3.73Å; F492-I496 HydrophobicContact CD1-CG1 4.04Å; F492-I496 HydrophobicContact CE1-CD1 3.65Å; F492-I496 HydrophobicContact CE1-CG1 3.76Å; F492-I496 HydrophobicContact CZ-CG1 4.46Å; F492-I496 WeakPolarHBondContact O-CG1 3.36Å; F492-I496 PolarHBondContact O-N 3.3Å; F492-G546 VanDerWaalsContact CE1-CA 3.41Å
493	F	90.3	Very high	83	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.5	-41.3	174.3	-59.1	-29.5	0	0	0	111.9	L490 V491 I495 I496 H497 L547 C550 E604 H608 L609 F617	L490-F493 HydrophobicContact CB-CD2 3.89Å; L490-F493 HydrophobicContact CB-CE2 4.07Å; L490-F493 HydrophobicContact CD1-CD2 4.47Å; L490-F493 HydrophobicContact CD1-CE2 4Å; L490-F493 HydrophobicContact CD2-CD2 4.41Å; L490-F493 HydrophobicContact CD2-CE2 3.76Å; L490-F493 HydrophobicContact CD2-CZ 4.04Å; L490-F493 HydrophobicContact CG-CD2 4.47Å; L490-F493 HydrophobicContact CG-CE2 4.15Å; L490-F493 WeakPolarHBondContact O-CB 3.42Å; L490-F493 PolarHBondContact O-N 3Å; V491-F493 PolarHBondContact O-N 3.18Å; F493-I495 VanDerWaalsContact C-N 3.33Å; F493-I496 PolarHBondContact O-N 3.45Å; F493-H497 PolarHBondContact O-N 3.25Å; F493-H497 VanDerWaalsContact O-N 3.13Å; F493-L547 HydrophobicContact CD1-CD2 3.88Å; F493-L547 HydrophobicContact CE1-CD2 3.71Å; F493-C550 HydrophobicContact CE1-CB 3.86Å; F493-C550 HydrophobicContact CZ-CB 4.12Å; F493-E604 HydrophobicContact CD2-CB 4.26Å; F493-H608 HydrophobicContact CB-CB 3.68Å; F493-L609 HydrophobicContact CB-CG 4.43Å; F493-L609 HydrophobicContact CD1-CD1 3.89Å; F493-L609 HydrophobicContact CD1-CD2 4.37Å; F493-L609 HydrophobicContact CD1-CG 4.27Å; F493-L609 HydrophobicContact CE1-CD1 4.02Å; F493-L609 HydrophobicContact CG-CD1 4.34Å; F493-L609 HydrophobicContact CG-CG 4.37Å; F493-F617 AromaticContact CE1-CE2 3.98Å; F493-F617 HydrophobicContact CE1-CE2 3.98Å; F493-F617 HydrophobicContact CE1-CZ 4.05Å; F493-F617 AromaticContact CZ-CE1 3.87Å; F493-F617 HydrophobicContact CZ-CE1 3.87Å; F493-F617 AromaticContact CZ-CE2 3.91Å; F493-F617 HydrophobicContact CZ-CE2 3.91Å; F493-F617 AromaticContact CZ-CZ 3.49Å; F493-F617 HydrophobicContact CZ-CZ 3.49Å; F493-F617 VanDerWaalsContact CZ-CZ 3.49Å
494	S	88.7	Confident	84.5	Confident	22 Å²	22	42.2 Å²	42.2	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-37.4	174.7	61.8	0	0	0	0	111.6	V491 I496 H497 E498	V491-S494 PolarHBondContact O-N 2.79Å; V491-S494 PolarHBondContact O-OG 3.21Å; S494-I496 VanDerWaalsContact C-N 3.33Å; S494-I496 PolarHBondContact O-N 2.88Å; S494-H497 WeakPolarHBondContact O-CB 3.28Å; S494-H497 PolarHBondContact O-N 3.29Å; S494-E498 WeakPolarHBondContact O-CG 3.49Å; S494-E498 PolarHBondContact O-N 3.12Å
495	I	92.1	Very high	86.1	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-43.8	172.3	-70	172.1	0	0	0	111.2	L419 V471 V491 F492 F493 A499	L419-I495 HydrophobicContact CD1-CG2 3.88Å; L419-I495 WeakPolarHBondContact CD1-O 3.45Å; V471-I495 HydrophobicContact CB-CG2 4.45Å; V471-I495 HydrophobicContact CG2-CG2 3.83Å; V491-I495 HydrophobicContact CG1-CD1 3.93Å; V491-I495 HydrophobicContact CG1-CG1 4.18Å; V491-I495 WeakPolarHBondContact O-CG1 3.48Å; V491-I495 PolarHBondContact O-N 2.98Å; F492-I495 HydrophobicContact CD2-CD1 4.35Å; F492-I495 HydrophobicContact CD2-CG2 4.48Å; F492-I495 HydrophobicContact CE2-CG2 4.38Å; F492-I495 PolarHBondContact O-N 2.9Å; F493-I495 VanDerWaalsContact C-N 3.33Å; I495-A499 WeakPolarHBondContact O-CB 3.47Å; I495-A499 PolarHBondContact O-N 3.37Å
496	I	92.6	Very high	87.7	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-46.4	176.8	-70.1	166.8	0	0	0	110.9	F492 F493 S494 T500 F543 L547 L609	F492-I496 HydrophobicContact CD1-CD1 3.73Å; F492-I496 HydrophobicContact CD1-CG1 4.04Å; F492-I496 HydrophobicContact CE1-CD1 3.65Å; F492-I496 HydrophobicContact CE1-CG1 3.76Å; F492-I496 HydrophobicContact CZ-CG1 4.46Å; F492-I496 WeakPolarHBondContact O-CG1 3.36Å; F492-I496 PolarHBondContact O-N 3.3Å; F493-I496 PolarHBondContact O-N 3.45Å; S494-I496 VanDerWaalsContact C-N 3.33Å; S494-I496 PolarHBondContact O-N 2.88Å; I496-T500 VanDerWaalsContact O-CB 3.32Å; I496-T500 WeakPolarHBondContact O-CB 3.39Å; I496-T500 PolarHBondContact O-N 3.24Å; I496-T500 PolarHBondContact O-OG1 3.36Å; I496-F543 HydrophobicContact CG1-CB 4.46Å; I496-F543 HydrophobicContact CG1-CD1 3.83Å; I496-F543 HydrophobicContact CG1-CE1 4.22Å; I496-F543 HydrophobicContact CG1-CG 4.12Å; I496-F543 HydrophobicContact CG2-CD2 4.21Å; I496-F543 HydrophobicContact CG2-CE2 4.3Å; I496-F543 HydrophobicContact CG2-CG 4.39Å; I496-L547 HydrophobicContact CD1-CD1 4.22Å; I496-L547 HydrophobicContact CD1-CD2 3.42Å; I496-L547 VanDerWaalsContact CD1-CD2 3.42Å; I496-L547 HydrophobicContact CD1-CG 3.63Å; I496-L609 HydrophobicContact CB-CD2 4.31Å; I496-L609 HydrophobicContact CD1-CD2 4.1Å; I496-L609 HydrophobicContact CG2-CD2 4.02Å
497	H	91.6	Very high	89.2	Confident	85 Å²	85	32.4 Å²	32.4	39%	0.394	17%	0.168	S	C	.	.	H	α-helix	trans	-58.6	-54.9	178.9	177.1	-89.2	0	0	0	111.4	F493 S494 A499 T500 S501 H608	F493-H497 PolarHBondContact O-N 3.25Å; F493-H497 VanDerWaalsContact O-N 3.13Å; S494-H497 WeakPolarHBondContact O-CB 3.28Å; S494-H497 PolarHBondContact O-N 3.29Å; H497-A499 PolarHBondContact O-N 2.87Å; H497-T500 PolarHBondContact O-N 2.96Å; H497-S501 PolarHBondContact O-N 3.45Å; H497-S501 PolarHBondContact O-OG 3.44Å; H497-H608 WeakPolarHBondContact CB-O 3.38Å
498	E	93	Very high	90.5	Very high	50 Å²	50	33 Å²	33	23%	0.234	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-43.2	-179.1	-70	174.2	171.1	0	0	111.9	S417 L419 S494 T500 S501 I502	S417-E498 WeakPolarHBondContact CB-OE2 3.36Å; S417-E498 PolarHBondContact OG-OE2 3.45Å; L419-E498 HydrophobicContact CB-CB 4.08Å; L419-E498 WeakPolarHBondContact CB-OE2 3.5Å; L419-E498 HydrophobicContact CD1-CB 4.2Å; S494-E498 WeakPolarHBondContact O-CG 3.49Å; S494-E498 PolarHBondContact O-N 3.12Å; E498-T500 VanDerWaalsContact C-N 3.32Å; E498-T500 PolarHBondContact O-N 3.41Å; E498-S501 PolarHBondContact O-N 2.87Å; E498-I502 WeakPolarHBondContact O-CB 3.39Å; E498-I502 VanDerWaalsContact O-CG1 3.23Å; E498-I502 WeakPolarHBondContact O-CG1 3.49Å; E498-I502 PolarHBondContact O-N 3.02Å
499	A	95.6	Very high	91.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-39.7	176.6	0	0	0	0	0	111.9	L419 V467 V471 I495 H497 I502 F503 F543	L419-A499 HydrophobicContact CD1-CB 3.66Å; V467-A499 HydrophobicContact CG1-CB 3.96Å; V471-A499 HydrophobicContact CG2-CB 3.96Å; I495-A499 WeakPolarHBondContact O-CB 3.47Å; I495-A499 PolarHBondContact O-N 3.37Å; H497-A499 PolarHBondContact O-N 2.87Å; A499-I502 PolarHBondContact O-N 3.29Å; A499-F503 VanDerWaalsContact O-CB 3.27Å; A499-F503 WeakPolarHBondContact O-CB 3.49Å; A499-F503 PolarHBondContact O-N 2.98Å; A499-F543 HydrophobicContact CB-CE1 3.86Å; A499-F543 HydrophobicContact CB-CZ 3.53Å
500	T	93.8	Very high	93.2	Very high	62 Å²	62	30 Å²	30	38%	0.38	15%	0.15	S	C	.	.	H	α-helix	trans	-66	-45	177.5	-57.6	0	0	0	0	111.3	I496 H497 E498 F503 H504	I496-T500 VanDerWaalsContact O-CB 3.32Å; I496-T500 WeakPolarHBondContact O-CB 3.39Å; I496-T500 PolarHBondContact O-N 3.24Å; I496-T500 PolarHBondContact O-OG1 3.36Å; H497-T500 PolarHBondContact O-N 2.96Å; E498-T500 VanDerWaalsContact C-N 3.32Å; E498-T500 PolarHBondContact O-N 3.41Å; T500-F503 PolarHBondContact O-N 3.39Å; T500-H504 PolarHBondContact O-N 2.95Å
501	S	94.6	Very high	94.1	Very high	31 Å²	31	33.2 Å²	33.2	22%	0.217	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-48.7	174.3	-67.2	0	0	0	0	112.1	E421 H497 E498 F503 H504 F505	E421-S501 WeakPolarHBondContact OE1-CB 3.42Å; E421-S501 PolarHBondContact OE1-OG 3.48Å; H497-S501 PolarHBondContact O-N 3.45Å; H497-S501 PolarHBondContact O-OG 3.44Å; E498-S501 PolarHBondContact O-N 2.87Å; S501-F503 VanDerWaalsContact C-N 3.34Å; S501-F503 PolarHBondContact O-N 3.01Å; S501-H504 WeakPolarHBondContact O-CB 3.38Å; S501-H504 PolarHBondContact O-N 3.46Å; S501-F505 PolarHBondContact O-N 3.05Å; S501-F505 VanDerWaalsContact O-N 3.12Å
502	I	97.4	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-40.8	179.4	-66	167.7	0	0	0	110.9	L419 E421 A424 L462 V467 E498 A499 H504 F505 F506	L419-I502 HydrophobicContact CB-CD1 4.28Å; E421-I502 HydrophobicContact CG-CG1 4.19Å; A424-I502 HydrophobicContact CB-CB 4.42Å; A424-I502 HydrophobicContact CB-CD1 4.23Å; A424-I502 HydrophobicContact CB-CG1 3.87Å; A424-I502 HydrophobicContact CB-CG2 3.8Å; L462-I502 HydrophobicContact CD1-CG2 3.69Å; L462-I502 HydrophobicContact CD2-CG2 4.32Å; L462-I502 HydrophobicContact CG-CG2 3.98Å; V467-I502 HydrophobicContact CG2-CB 4.05Å; V467-I502 HydrophobicContact CG2-CD1 4.46Å; V467-I502 HydrophobicContact CG2-CG2 3.47Å; V467-I502 VanDerWaalsContact CG2-CG2 3.47Å; E498-I502 WeakPolarHBondContact O-CB 3.39Å; E498-I502 VanDerWaalsContact O-CG1 3.23Å; E498-I502 WeakPolarHBondContact O-CG1 3.49Å; E498-I502 PolarHBondContact O-N 3.02Å; A499-I502 PolarHBondContact O-N 3.29Å; I502-H504 VanDerWaalsContact C-N 3.3Å; I502-H504 PolarHBondContact O-N 3.41Å; I502-F505 WeakPolarHBondContact O-CB 3.3Å; I502-F505 PolarHBondContact O-N 2.94Å; I502-F505 VanDerWaalsContact O-N 3.16Å; I502-F506 PolarHBondContact O-N 3.35Å
503	F	97.1	Very high	95.1	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.057	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-36.2	177.1	-161	-86.6	0	0	0	111.9	I463 A499 T500 S501 F506 E507 L535 K536 L539	I463-F503 HydrophobicContact CD1-CD2 3.84Å; I463-F503 HydrophobicContact CD1-CE2 4.22Å; A499-F503 VanDerWaalsContact O-CB 3.27Å; A499-F503 WeakPolarHBondContact O-CB 3.49Å; A499-F503 PolarHBondContact O-N 2.98Å; T500-F503 PolarHBondContact O-N 3.39Å; S501-F503 VanDerWaalsContact C-N 3.34Å; S501-F503 PolarHBondContact O-N 3.01Å; F503-F506 HydrophobicContact CD2-CD1 4.47Å; F503-F506 HydrophobicContact CE2-CD1 4.21Å; F503-F506 HydrophobicContact CE2-CE1 4.42Å; F503-F506 HydrophobicContact CZ-CD1 4.22Å; F503-F506 HydrophobicContact CZ-CE1 4.34Å; F503-F506 WeakPolarHBondContact O-CB 3.48Å; F503-F506 PolarHBondContact O-N 3.44Å; F503-E507 HydrophobicContact CD1-CG 3.97Å; F503-E507 HydrophobicContact CE1-CG 3.77Å; F503-E507 PolarHBondContact O-N 3.2Å; F503-L535 HydrophobicContact CE2-CB 4.23Å; F503-L535 HydrophobicContact CZ-CB 4.43Å; F503-K536 HydrophobicContact CE1-CB 3.91Å; F503-K536 HydrophobicContact CE1-CD 4.27Å; F503-K536 HydrophobicContact CE1-CG 4.07Å; F503-K536 HydrophobicContact CZ-CB 3.65Å; F503-K536 HydrophobicContact CZ-CG 4.26Å; F503-L539 HydrophobicContact CB-CD2 4.21Å; F503-L539 HydrophobicContact CD2-CD2 3.57Å; F503-L539 HydrophobicContact CE2-CD2 4.23Å; F503-L539 HydrophobicContact CG-CD2 4.07Å
504	H	96.1	Very high	95.5	Very high	112 Å²	112	37.5 Å²	37.5	52%	0.519	19%	0.187	S	C	.	.	H	α-helix	trans	-63.2	-41.4	172.7	-175.3	63.8	0	0	0	112.1	T500 S501 I502 F506 E507 K508	T500-H504 PolarHBondContact O-N 2.95Å; S501-H504 WeakPolarHBondContact O-CB 3.38Å; S501-H504 PolarHBondContact O-N 3.46Å; I502-H504 VanDerWaalsContact C-N 3.3Å; I502-H504 PolarHBondContact O-N 3.41Å; H504-F506 VanDerWaalsContact C-N 3.3Å; H504-F506 PolarHBondContact O-N 2.87Å; H504-E507 PolarHBondContact O-N 3.39Å; H504-K508 WeakPolarHBondContact O-CB 3.34Å; H504-K508 PolarHBondContact O-N 3.22Å
505	F	97.3	Very high	95.8	Very high	66 Å²	66	39.5 Å²	39.5	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-63.6	-35.9	174.1	-59.6	-37.5	0	0	0	112.7	I428 S501 I502 T509	I428-F505 HydrophobicContact CD1-CB 3.36Å; I428-F505 HydrophobicContact CD1-CG 4.37Å; S501-F505 PolarHBondContact O-N 3.05Å; S501-F505 VanDerWaalsContact O-N 3.12Å; I502-F505 WeakPolarHBondContact O-CB 3.3Å; I502-F505 PolarHBondContact O-N 2.94Å; I502-F505 VanDerWaalsContact O-N 3.16Å; F505-T509 WeakPolarHBondContact O-CB 3.44Å; F505-T509 PolarHBondContact O-N 2.89Å; F505-T509 PolarHBondContact O-OG1 3.37Å
506	F	98.2	Very high	95.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-52.5	172.7	168.9	-105.6	0	0	0	111.8	F455 L458 L462 I463 I502 F503 H504 K508 T509 I510 R532 L535	F455-F506 HydrophobicContact CE2-CZ 4.21Å; L458-F506 HydrophobicContact CD1-CD2 4.27Å; L458-F506 HydrophobicContact CD2-CD2 3.73Å; L458-F506 HydrophobicContact CD2-CE2 3.92Å; L458-F506 HydrophobicContact CG-CD2 3.67Å; L458-F506 HydrophobicContact CG-CE2 3.82Å; L462-F506 HydrophobicContact CD2-CB 3.94Å; L462-F506 HydrophobicContact CD2-CD2 4.32Å; I463-F506 HydrophobicContact CD1-CB 3.9Å; I463-F506 HydrophobicContact CD1-CD1 3.98Å; I463-F506 HydrophobicContact CD1-CD2 4Å; I463-F506 HydrophobicContact CD1-CE1 4.47Å; I463-F506 HydrophobicContact CD1-CG 3.7Å; I463-F506 HydrophobicContact CG1-CD1 4.05Å; I463-F506 HydrophobicContact CG1-CD2 3.7Å; I463-F506 HydrophobicContact CG1-CE1 4.07Å; I463-F506 HydrophobicContact CG1-CE2 3.74Å; I463-F506 HydrophobicContact CG1-CG 3.86Å; I463-F506 HydrophobicContact CG1-CZ 3.9Å; I502-F506 PolarHBondContact O-N 3.35Å; F503-F506 HydrophobicContact CD2-CD1 4.47Å; F503-F506 HydrophobicContact CE2-CD1 4.21Å; F503-F506 HydrophobicContact CE2-CE1 4.42Å; F503-F506 HydrophobicContact CZ-CD1 4.22Å; F503-F506 HydrophobicContact CZ-CE1 4.34Å; F503-F506 WeakPolarHBondContact O-CB 3.48Å; F503-F506 PolarHBondContact O-N 3.44Å; H504-F506 VanDerWaalsContact C-N 3.3Å; H504-F506 PolarHBondContact O-N 2.87Å; F506-K508 VanDerWaalsContact C-N 3.34Å; F506-K508 PolarHBondContact O-N 3.46Å; F506-T509 PolarHBondContact O-N 3.1Å; F506-I510 HydrophobicContact CD1-CD1 4Å; F506-I510 HydrophobicContact CD2-CD1 4.29Å; F506-I510 HydrophobicContact CE1-CD1 3.53Å; F506-I510 HydrophobicContact CE2-CD1 3.85Å; F506-I510 HydrophobicContact CE2-CG1 4.41Å; F506-I510 HydrophobicContact CG-CD1 4.37Å; F506-I510 HydrophobicContact CZ-CD1 3.47Å; F506-I510 VanDerWaalsContact CZ-CD1 3.47Å; F506-I510 HydrophobicContact CZ-CG1 4.48Å; F506-I510 WeakPolarHBondContact O-CG1 3.33Å; F506-I510 PolarHBondContact O-N 3.3Å; F506-I510 VanDerWaalsContact O-N 3.07Å; F506-R532 HydrophobicContact CE1-CG 4.46Å; F506-L535 HydrophobicContact CE1-CD1 4.41Å; F506-L535 HydrophobicContact CZ-CD1 4.13Å
507	E	97.5	Very high	96	Very high	42 Å²	42	42.2 Å²	42.2	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-47.4	178.4	-70.9	-174.5	138.6	0	0	111.5	F503 H504 T509 I510 D511 K536	F503-E507 HydrophobicContact CD1-CG 3.97Å; F503-E507 HydrophobicContact CE1-CG 3.77Å; F503-E507 PolarHBondContact O-N 3.2Å; H504-E507 PolarHBondContact O-N 3.39Å; E507-T509 VanDerWaalsContact C-N 3.31Å; E507-T509 PolarHBondContact O-N 2.9Å; E507-I510 WeakPolarHBondContact O-CB 3.34Å; E507-I510 PolarHBondContact O-N 3.32Å; E507-D511 PolarHBondContact O-N 3.44Å; E507-D511 VanDerWaalsContact O-N 3.13Å; E507-K536 IonicContact OE1-NZ 3.56Å
508	K	97.6	Very high	96.2	Very high	94 Å²	94	38.1 Å²	38.1	41%	0.409	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-39.2	178.2	-175.2	173.8	-179.1	176	0	112.7	H504 F506 I510 D511 E512	H504-K508 WeakPolarHBondContact O-CB 3.34Å; H504-K508 PolarHBondContact O-N 3.22Å; F506-K508 VanDerWaalsContact C-N 3.34Å; F506-K508 PolarHBondContact O-N 3.46Å; K508-I510 VanDerWaalsContact C-N 3.34Å; K508-D511 PolarHBondContact O-N 2.9Å; K508-E512 VanDerWaalsContact CE-CD 3.46Å; K508-E512 WeakPolarHBondContact CE-OE1 3.36Å; K508-E512 HydrophobicContact CG-CG 4.29Å; K508-E512 IonicContact NZ-OE1 3.81Å; K508-E512 WeakPolarHBondContact O-CB 3.21Å; K508-E512 WeakPolarHBondContact O-CG 3.46Å; K508-E512 PolarHBondContact O-N 3.4Å
509	T	97.8	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.1	-35.7	179.2	-58.7	0	0	0	0	111.8	I428 I431 R432 L458 F505 F506 E507 S513	I428-T509 HydrophobicContact CG2-CG2 4.15Å; I428-T509 VanDerWaalsContact CG2-OG1 3.26Å; I428-T509 WeakPolarHBondContact CG2-OG1 3.25Å; I431-T509 HydrophobicContact CG2-CG2 4Å; R432-T509 HydrophobicContact CG-CG2 4.22Å; L458-T509 HydrophobicContact CD1-CG2 4.42Å; L458-T509 HydrophobicContact CD2-CG2 3.84Å; F505-T509 WeakPolarHBondContact O-CB 3.44Å; F505-T509 PolarHBondContact O-N 2.89Å; F505-T509 PolarHBondContact O-OG1 3.37Å; F506-T509 PolarHBondContact O-N 3.1Å; E507-T509 VanDerWaalsContact C-N 3.31Å; E507-T509 PolarHBondContact O-N 2.9Å; T509-S513 WeakPolarHBondContact O-CB 3.24Å; T509-S513 PolarHBondContact O-N 3.4Å
510	I	97.3	Very high	95.7	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	24%	0.244	C	C	.	.	I	π-helix	trans	-60.4	-52.7	172.6	-67.2	166.4	0	0	0	110.1	F455 L458 F506 E507 K508 E512 I514 L515 I528 R532	F455-I510 HydrophobicContact CD2-CD1 4.29Å; F455-I510 HydrophobicContact CD2-CG1 4.22Å; F455-I510 HydrophobicContact CE2-CD1 3.81Å; F455-I510 HydrophobicContact CE2-CG1 4.25Å; L458-I510 HydrophobicContact CD2-CG1 4.06Å; F506-I510 HydrophobicContact CD1-CD1 4Å; F506-I510 HydrophobicContact CD2-CD1 4.29Å; F506-I510 HydrophobicContact CE1-CD1 3.53Å; F506-I510 HydrophobicContact CE2-CD1 3.85Å; F506-I510 HydrophobicContact CE2-CG1 4.41Å; F506-I510 HydrophobicContact CG-CD1 4.37Å; F506-I510 HydrophobicContact CZ-CD1 3.47Å; F506-I510 VanDerWaalsContact CZ-CD1 3.47Å; F506-I510 HydrophobicContact CZ-CG1 4.48Å; F506-I510 WeakPolarHBondContact O-CG1 3.33Å; F506-I510 PolarHBondContact O-N 3.3Å; F506-I510 VanDerWaalsContact O-N 3.07Å; E507-I510 WeakPolarHBondContact O-CB 3.34Å; E507-I510 PolarHBondContact O-N 3.32Å; K508-I510 VanDerWaalsContact C-N 3.34Å; I510-E512 PolarHBondContact O-N 2.73Å; I510-I514 HydrophobicContact CG1-CD1 4.13Å; I510-I514 PolarHBondContact O-N 2.94Å; I510-I514 VanDerWaalsContact O-N 3.12Å; I510-L515 WeakPolarHBondContact O-CB 3.46Å; I510-L515 PolarHBondContact O-N 3.28Å; I510-I528 HydrophobicContact CG2-CG2 4.01Å; I510-R532 HydrophobicContact CD1-CG 4.38Å
511	D	96.5	Very high	95.7	Very high	78 Å²	78	45.6 Å²	45.6	42%	0.417	24%	0.237	S	C	.	.	I	π-helix	trans	-65.7	-41.1	-174.4	-66.3	-22.4	0	0	0	112.2	E507 K508 R532	E507-D511 PolarHBondContact O-N 3.44Å; E507-D511 VanDerWaalsContact O-N 3.13Å; K508-D511 PolarHBondContact O-N 2.9Å; D511-R532 IonicContact OD1-NH1 3.46Å; D511-R532 PolarHBondContact OD1-NH1 2.91Å; D511-R532 VanDerWaalsContact OD1-NH1 3.11Å
512	E	96.7	Very high	95.6	Very high	104 Å²	104	48.9 Å²	48.9	49%	0.486	26%	0.257	S	S	.	.	I	π-helix	trans	-82.9	-32.5	-175.1	-69.8	178.8	164.8	0	0	114.2	R432 K508 I510	R432-E512 IonicContact NH2-OE2 3.26Å; K508-E512 VanDerWaalsContact CE-CD 3.46Å; K508-E512 WeakPolarHBondContact CE-OE1 3.36Å; K508-E512 HydrophobicContact CG-CG 4.29Å; K508-E512 IonicContact NZ-OE1 3.81Å; K508-E512 WeakPolarHBondContact O-CB 3.21Å; K508-E512 WeakPolarHBondContact O-CG 3.46Å; K508-E512 PolarHBondContact O-N 3.4Å; I510-E512 PolarHBondContact O-N 2.73Å
513	S	96.4	Very high	95.5	Very high	18 Å²	18	52 Å²	52	13%	0.126	28%	0.28	C	S	.	.	I	π-helix	trans	-120.1	-35.3	-167.5	-57.4	0	0	0	0	114.4	R432 T509	R432-S513 WeakPolarHBondContact CG-OG 3.31Å; T509-S513 WeakPolarHBondContact O-CB 3.24Å; T509-S513 PolarHBondContact O-N 3.4Å
514	I	96.9	Very high	95.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-91.7	-45	-176.7	-65	168.4	0	0	0	110.5	I454 F455 L458 I510 P516 M517 I518 I528	I454-I514 HydrophobicContact CG2-CG1 4.34Å; F455-I514 HydrophobicContact CB-CD1 4.06Å; F455-I514 HydrophobicContact CB-CG2 3.94Å; F455-I514 HydrophobicContact CD2-CD1 4.18Å; L458-I514 HydrophobicContact CB-CD1 4.34Å; L458-I514 HydrophobicContact CD2-CD1 3.53Å; I510-I514 HydrophobicContact CG1-CD1 4.13Å; I510-I514 PolarHBondContact O-N 2.94Å; I510-I514 VanDerWaalsContact O-N 3.12Å; I514-P516 VanDerWaalsContact C-CD 3.47Å; I514-M517 WeakPolarHBondContact O-CB 3.48Å; I514-M517 PolarHBondContact O-N 3.05Å; I514-I518 HydrophobicContact CG2-CD1 4.19Å; I514-I518 PolarHBondContact O-N 3.32Å; I514-I528 HydrophobicContact CG2-CD1 4.19Å
515	L	95.4	Very high	95.2	Very high	63 Å²	63	49.8 Å²	49.8	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-55.8	-41.7	-177.5	-169.5	63.7	0	0	0	113	I510 M517 I518 I519	I510-L515 WeakPolarHBondContact O-CB 3.46Å; I510-L515 PolarHBondContact O-N 3.28Å; L515-M517 PolarHBondContact O-N 3.19Å; L515-M517 VanDerWaalsContact O-N 3.17Å; L515-I518 HydrophobicContact CD1-CD1 4.22Å; L515-I518 HydrophobicContact CD1-CG1 4.19Å; L515-I518 PolarHBondContact O-N 2.67Å; L515-I519 WeakPolarHBondContact O-CB 3.34Å; L515-I519 PolarHBondContact O-N 3.26Å
516	P	94.8	Very high	95.1	Very high	63 Å²	63	50 Å²	50	41%	0.409	28%	0.282	S	S	.	.	H	α-helix	trans	-59.4	-25.8	175.6	-25.9	36.4	0	0	0	114.8	I514	I514-P516 VanDerWaalsContact C-CD 3.47Å
517	M	95.5	Very high	95	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-80.1	-34.3	179	-59.6	179.6	68.1	0	0	112.3	A435 C438 L439 I447 N450 I454 I514 L515	A435-M517 HydrophobicContact CB-SD 3.82Å; C438-M517 HydrophobicContact CB-CE 3.54Å; L439-M517 HydrophobicContact CD1-CG 4.34Å; I447-M517 HydrophobicContact CG2-CB 3.83Å; I447-M517 HydrophobicContact CG2-CE 4.28Å; I447-M517 HydrophobicContact CG2-CG 4.32Å; I447-M517 WeakPolarHBondContact CG2-O 3.44Å; N450-M517 HydrophobicContact CB-CE 4.32Å; I454-M517 HydrophobicContact CD1-CE 4.03Å; I454-M517 HydrophobicContact CD1-SD 4.16Å; I514-M517 WeakPolarHBondContact O-CB 3.48Å; I514-M517 PolarHBondContact O-N 3.05Å; L515-M517 PolarHBondContact O-N 3.19Å; L515-M517 VanDerWaalsContact O-N 3.17Å
518	I	93.8	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-103.2	-8.1	-171.6	65	177.5	0	0	0	113.3	I514 L515 T520 N521 A525 I528	I514-I518 HydrophobicContact CG2-CD1 4.19Å; I514-I518 PolarHBondContact O-N 3.32Å; L515-I518 HydrophobicContact CD1-CD1 4.22Å; L515-I518 HydrophobicContact CD1-CG1 4.19Å; L515-I518 PolarHBondContact O-N 2.67Å; I518-T520 PolarHBondContact O-N 3.37Å; I518-T520 VanDerWaalsContact O-N 3.07Å; I518-N521 CarbonylContact O-C 3.27Å; I518-N521 WeakPolarHBondContact O-CA 3.46Å; I518-N521 PolarHBondContact O-N 2.85Å; I518-A525 HydrophobicContact CD1-CB 4.43Å; I518-I528 HydrophobicContact CD1-CB 4.29Å; I518-I528 HydrophobicContact CD1-CD1 3.35Å; I518-I528 HydrophobicContact CD1-CG1 4.33Å; I518-I528 HydrophobicContact CD1-CG2 4.46Å; I518-I528 HydrophobicContact CG2-CD1 4.44Å
519	I	89.6	Confident	94.9	Very high	114 Å²	114	49.6 Å²	49.6	59%	0.585	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26	-174.7	-165.4	165.7	0	0	0	113.1	L515 N521	L515-I519 WeakPolarHBondContact O-CB 3.34Å; L515-I519 PolarHBondContact O-N 3.26Å; I519-N521 PolarHBondContact O-N 3.3Å
520	T	89.6	Confident	94.8	Very high	109 Å²	109	53.1 Å²	53.1	67%	0.669	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.7	174.5	54.6	0	0	0	0	113.3	I518	I518-T520 PolarHBondContact O-N 3.37Å; I518-T520 VanDerWaalsContact O-N 3.07Å
521	N	93.2	Very high	94.8	Very high	45 Å²	45	55.9 Å²	55.9	24%	0.241	32%	0.319	C	S	.	.			trans	-118.2	94.4	176.3	-172	-25.1	0	0	0	110.9	P448 I518 I519 S523 Y524 A525	P448-N521 HydrophobicContact CB-CB 3.82Å; P448-N521 HydrophobicContact CG-CB 4.24Å; I518-N521 CarbonylContact O-C 3.27Å; I518-N521 WeakPolarHBondContact O-CA 3.46Å; I518-N521 PolarHBondContact O-N 2.85Å; I519-N521 PolarHBondContact O-N 3.3Å; N521-S523 PolarHBondContact O-N 3.02Å; N521-S523 VanDerWaalsContact O-N 3.16Å; N521-S523 WeakPolarHBondContact OD1-CB 3.39Å; N521-S523 PolarHBondContact OD1-N 2.88Å; N521-S523 VanDerWaalsContact OD1-N 3.13Å; N521-Y524 HydrophobicContact CB-CD2 4.28Å; N521-Y524 HydrophobicContact CB-CG 4.49Å; N521-Y524 PolarHBondContact O-N 3.37Å; N521-Y524 PolarHBondContact OD1-N 3.33Å; N521-A525 PolarHBondContact O-N 3.38Å
522	P	92.1	Very high	94.8	Very high	100 Å²	100	54.6 Å²	54.6	65%	0.649	31%	0.309	S	S	*	.	H	α-helix	trans	-58.6	-28	-179.4	-26.2	35	0	0	0	114.8	S526	P522-S526 WeakPolarHBondContact O-CB 3.38Å; P522-S526 PolarHBondContact O-N 3.36Å
523	S	95.1	Very high	94.9	Very high	67 Å²	67	53.2 Å²	53.2	47%	0.469	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-51.9	177.7	-168.5	0	0	0	0	110.4	N521 A525 S526 E527	N521-S523 PolarHBondContact O-N 3.02Å; N521-S523 VanDerWaalsContact O-N 3.16Å; N521-S523 WeakPolarHBondContact OD1-CB 3.39Å; N521-S523 PolarHBondContact OD1-N 2.88Å; N521-S523 VanDerWaalsContact OD1-N 3.13Å; S523-A525 VanDerWaalsContact C-N 3.34Å; S523-A525 PolarHBondContact O-N 2.9Å; S523-S526 PolarHBondContact O-N 3.26Å; S523-E527 WeakPolarHBondContact O-CG 3.32Å; S523-E527 PolarHBondContact O-N 3.45Å; S523-E527 PolarHBondContact OG-OE1 3.45Å
524	Y	94.5	Very high	94.9	Very high	52 Å²	52	56.8 Å²	56.8	20%	0.204	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-38	179.4	-68.6	-9.9	0	0	0	112.2	P448 D449 K452 N521 S526 E527 I528	P448-Y524 HydrophobicContact CB-CD2 3.93Å; P448-Y524 HydrophobicContact CB-CE2 4.12Å; P448-Y524 WeakPolarHBondContact O-CD2 2.85Å; D449-Y524 WeakPolarHBondContact OD1-CE2 3.31Å; D449-Y524 VanDerWaalsContact OD1-CZ 3.31Å; D449-Y524 PolarHBondContact OD1-OH 2.9Å; K452-Y524 HydrophobicContact CB-CD2 4.15Å; K452-Y524 HydrophobicContact CB-CE2 4.3Å; N521-Y524 HydrophobicContact CB-CD2 4.28Å; N521-Y524 HydrophobicContact CB-CG 4.49Å; N521-Y524 PolarHBondContact O-N 3.37Å; N521-Y524 PolarHBondContact OD1-N 3.33Å; Y524-S526 VanDerWaalsContact C-N 3.33Å; Y524-S526 PolarHBondContact O-N 3.4Å; Y524-E527 PolarHBondContact O-N 2.97Å; Y524-I528 WeakPolarHBondContact O-CB 3.47Å; Y524-I528 WeakPolarHBondContact O-CG1 3.4Å; Y524-I528 PolarHBondContact O-N 3.15Å
525	A	93.8	Very high	94.9	Very high	26 Å²	26	57.4 Å²	57.4	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-42.9	173.7	0	0	0	0	0	111.9	I518 N521 S523 S529	I518-A525 HydrophobicContact CD1-CB 4.43Å; N521-A525 PolarHBondContact O-N 3.38Å; S523-A525 VanDerWaalsContact C-N 3.34Å; S523-A525 PolarHBondContact O-N 2.9Å; A525-S529 WeakPolarHBondContact O-CB 3.48Å; A525-S529 PolarHBondContact O-N 2.98Å
526	S	95.5	Very high	95	Very high	71 Å²	71	58.1 Å²	58.1	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-66	-47.2	176.2	-178.1	0	0	0	0	112	P522 S523 Y524 I528 S529 V530	P522-S526 WeakPolarHBondContact O-CB 3.38Å; P522-S526 PolarHBondContact O-N 3.36Å; S523-S526 PolarHBondContact O-N 3.26Å; Y524-S526 VanDerWaalsContact C-N 3.33Å; Y524-S526 PolarHBondContact O-N 3.4Å; S526-I528 VanDerWaalsContact C-N 3.34Å; S526-I528 PolarHBondContact O-N 3.48Å; S526-S529 WeakPolarHBondContact O-CB 3.48Å; S526-S529 PolarHBondContact O-N 3.5Å; S526-V530 WeakPolarHBondContact O-CG2 3.39Å; S526-V530 PolarHBondContact O-N 3.46Å
527	E	95.7	Very high	95.1	Very high	78 Å²	78	61.6 Å²	61.6	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-59.6	-42.7	177.8	-72.8	169.7	-142.6	0	0	112.5	K452 S523 Y524 V530 K531	K452-E527 IonicContact NZ-OE2 3.41Å; K452-E527 PolarHBondContact NZ-OE2 2.81Å; S523-E527 WeakPolarHBondContact O-CG 3.32Å; S523-E527 PolarHBondContact O-N 3.45Å; S523-E527 PolarHBondContact OG-OE1 3.45Å; Y524-E527 PolarHBondContact O-N 2.97Å; E527-V530 PolarHBondContact O-N 3.19Å; E527-K531 WeakPolarHBondContact O-CB 3.41Å; E527-K531 PolarHBondContact O-N 3.32Å
528	I	96.3	Very high	95.2	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-40.3	178	-76.5	172.7	0	0	0	110.7	K452 F455 I510 I514 I518 Y524 S526 K531 R532	K452-I528 HydrophobicContact CD-CD1 4.03Å; K452-I528 HydrophobicContact CD-CG1 4.21Å; F455-I528 HydrophobicContact CB-CD1 3.77Å; F455-I528 HydrophobicContact CB-CG1 4.37Å; F455-I528 HydrophobicContact CD1-CD1 3.94Å; F455-I528 HydrophobicContact CD1-CG1 3.61Å; F455-I528 HydrophobicContact CD2-CD1 4.16Å; F455-I528 HydrophobicContact CD2-CG1 4.06Å; F455-I528 HydrophobicContact CD2-CG2 3.78Å; F455-I528 HydrophobicContact CE1-CG1 3.82Å; F455-I528 HydrophobicContact CE2-CB 4.4Å; F455-I528 HydrophobicContact CE2-CG1 4.26Å; F455-I528 HydrophobicContact CE2-CG2 3.64Å; F455-I528 HydrophobicContact CG-CD1 3.66Å; F455-I528 HydrophobicContact CG-CG1 3.72Å; F455-I528 HydrophobicContact CG-CG2 4.33Å; F455-I528 HydrophobicContact CZ-CB 4.4Å; F455-I528 HydrophobicContact CZ-CG1 4.14Å; F455-I528 HydrophobicContact CZ-CG2 4.06Å; I510-I528 HydrophobicContact CG2-CG2 4.01Å; I514-I528 HydrophobicContact CG2-CD1 4.19Å; I518-I528 HydrophobicContact CD1-CB 4.29Å; I518-I528 HydrophobicContact CD1-CD1 3.35Å; I518-I528 HydrophobicContact CD1-CG1 4.33Å; I518-I528 HydrophobicContact CD1-CG2 4.46Å; I518-I528 HydrophobicContact CG2-CD1 4.44Å; Y524-I528 WeakPolarHBondContact O-CB 3.47Å; Y524-I528 WeakPolarHBondContact O-CG1 3.4Å; Y524-I528 PolarHBondContact O-N 3.15Å; S526-I528 VanDerWaalsContact C-N 3.34Å; S526-I528 PolarHBondContact O-N 3.48Å; I528-K531 PolarHBondContact O-N 3.22Å; I528-R532 VanDerWaalsContact O-CB 3.25Å; I528-R532 WeakPolarHBondContact O-CB 3.49Å; I528-R532 PolarHBondContact O-N 3.04Å
529	S	95.4	Very high	95.3	Very high	43 Å²	43	65.7 Å²	65.7	30%	0.301	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-44.1	175.1	-172.5	0	0	0	0	112.1	A525 S526 R532 N533	A525-S529 WeakPolarHBondContact O-CB 3.48Å; A525-S529 PolarHBondContact O-N 2.98Å; S526-S529 WeakPolarHBondContact O-CB 3.48Å; S526-S529 PolarHBondContact O-N 3.5Å; S529-R532 PolarHBondContact O-N 2.75Å; S529-N533 VanDerWaalsContact O-CG 3.29Å; S529-N533 PolarHBondContact O-N 3.24Å; S529-N533 VanDerWaalsContact O-N 3.1Å; S529-N533 PolarHBondContact O-ND2 3.16Å
530	V	97.5	Very high	95.5	Very high	74 Å²	74	64.7 Å²	64.7	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-50.6	174.9	171.4	0	0	0	0	110.1	S526 E527 R532 N533 E534	S526-V530 WeakPolarHBondContact O-CG2 3.39Å; S526-V530 PolarHBondContact O-N 3.46Å; E527-V530 PolarHBondContact O-N 3.19Å; V530-R532 VanDerWaalsContact C-N 3.32Å; V530-R532 PolarHBondContact O-N 2.9Å; V530-N533 PolarHBondContact O-N 3.47Å; V530-N533 VanDerWaalsContact O-N 3.12Å; V530-E534 HydrophobicContact CG1-CG 4.39Å; V530-E534 WeakPolarHBondContact O-CG 3.48Å; V530-E534 PolarHBondContact O-N 2.97Å
531	K	97.2	Very high	95.8	Very high	61 Å²	61	61.1 Å²	61.1	27%	0.265	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-40.4	-179.2	-171.7	56.7	174.8	176.6	0	112.1	F455 Y459 E527 I528 N533 E534 L535	F455-K531 HydrophobicContact CE1-CB 4.27Å; F455-K531 HydrophobicContact CE1-CG 4.09Å; F455-K531 HydrophobicContact CZ-CB 4.08Å; F455-K531 HydrophobicContact CZ-CG 4Å; Y459-K531 VanDerWaalsContact CZ-CE 3.47Å; Y459-K531 WeakPolarHBondContact OH-CE 3.25Å; E527-K531 WeakPolarHBondContact O-CB 3.41Å; E527-K531 PolarHBondContact O-N 3.32Å; I528-K531 PolarHBondContact O-N 3.22Å; K531-N533 VanDerWaalsContact C-N 3.33Å; K531-N533 PolarHBondContact O-N 2.97Å; K531-E534 VanDerWaalsContact CD-OE2 3.32Å; K531-E534 WeakPolarHBondContact CD-OE2 3.25Å; K531-E534 IonicContact NZ-OE2 3.93Å; K531-E534 PolarHBondContact NZ-OE2 3.06Å; K531-E534 PolarHBondContact O-N 2.9Å; K531-L535 HydrophobicContact CG-CD1 4.21Å; K531-L535 WeakPolarHBondContact O-CD1 3.33Å; K531-L535 WeakPolarHBondContact O-CG 3.37Å; K531-L535 PolarHBondContact O-N 3.38Å; K531-L535 VanDerWaalsContact O-N 3.08Å
532	R	96.5	Very high	95.9	Very high	52 Å²	52	60.9 Å²	60.9	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-46.5	174.2	179.2	179	66.5	-177.9	-0.4	111.5	F506 I510 D511 I528 S529 V530 L535 K536	F506-R532 HydrophobicContact CE1-CG 4.46Å; I510-R532 HydrophobicContact CD1-CG 4.38Å; D511-R532 IonicContact OD1-NH1 3.46Å; D511-R532 PolarHBondContact OD1-NH1 2.91Å; D511-R532 VanDerWaalsContact OD1-NH1 3.11Å; I528-R532 VanDerWaalsContact O-CB 3.25Å; I528-R532 WeakPolarHBondContact O-CB 3.49Å; I528-R532 PolarHBondContact O-N 3.04Å; S529-R532 PolarHBondContact O-N 2.75Å; V530-R532 VanDerWaalsContact C-N 3.32Å; V530-R532 PolarHBondContact O-N 2.9Å; R532-L535 PolarHBondContact O-N 2.95Å; R532-K536 PolarHBondContact O-N 2.87Å; R532-K536 VanDerWaalsContact O-N 3.12Å
533	N	97.2	Very high	96	Very high	74 Å²	74	57 Å²	57	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-39.4	179.7	-67.5	-22.7	0	0	0	112.4	S529 V530 K531 L535 K536 Q537	S529-N533 VanDerWaalsContact O-CG 3.29Å; S529-N533 PolarHBondContact O-N 3.24Å; S529-N533 VanDerWaalsContact O-N 3.1Å; S529-N533 PolarHBondContact O-ND2 3.16Å; V530-N533 PolarHBondContact O-N 3.47Å; V530-N533 VanDerWaalsContact O-N 3.12Å; K531-N533 VanDerWaalsContact C-N 3.33Å; K531-N533 PolarHBondContact O-N 2.97Å; N533-L535 VanDerWaalsContact C-N 3.33Å; N533-L535 PolarHBondContact O-N 3.11Å; N533-K536 PolarHBondContact O-N 3.39Å; N533-Q537 WeakPolarHBondContact O-CG 3.37Å; N533-Q537 PolarHBondContact O-N 3.37Å
534	E	97.7	Very high	96	Very high	93 Å²	93	57.9 Å²	57.9	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-45.8	174.5	-73.2	174.6	-178.7	0	0	111.6	V530 K531 K536 Q537 D538	V530-E534 HydrophobicContact CG1-CG 4.39Å; V530-E534 WeakPolarHBondContact O-CG 3.48Å; V530-E534 PolarHBondContact O-N 2.97Å; K531-E534 VanDerWaalsContact CD-OE2 3.32Å; K531-E534 WeakPolarHBondContact CD-OE2 3.25Å; K531-E534 IonicContact NZ-OE2 3.93Å; K531-E534 PolarHBondContact NZ-OE2 3.06Å; K531-E534 PolarHBondContact O-N 2.9Å; E534-K536 VanDerWaalsContact C-N 3.35Å; E534-K536 PolarHBondContact O-N 2.94Å; E534-Q537 PolarHBondContact O-N 3.47Å; E534-D538 PolarHBondContact O-N 2.9Å
535	L	97.3	Very high	95.9	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.068	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-38.3	-179.5	-65.2	168.1	0	0	0	112.6	Y459 I463 F503 F506 K531 R532 N533 L539	Y459-L535 HydrophobicContact CD2-CD1 3.15Å; Y459-L535 HydrophobicContact CD2-CD2 3.89Å; Y459-L535 HydrophobicContact CD2-CG 4.11Å; Y459-L535 HydrophobicContact CE2-CD1 3.41Å; Y459-L535 VanDerWaalsContact CE2-CD1 3.41Å; Y459-L535 HydrophobicContact CE2-CD2 3.16Å; Y459-L535 HydrophobicContact CE2-CG 3.85Å; Y459-L535 HydrophobicContact CG-CD1 3.98Å; I463-L535 HydrophobicContact CG2-CB 4.44Å; I463-L535 HydrophobicContact CG2-CD1 4.41Å; I463-L535 HydrophobicContact CG2-CD2 4.22Å; F503-L535 HydrophobicContact CE2-CB 4.23Å; F503-L535 HydrophobicContact CZ-CB 4.43Å; F506-L535 HydrophobicContact CE1-CD1 4.41Å; F506-L535 HydrophobicContact CZ-CD1 4.13Å; K531-L535 HydrophobicContact CG-CD1 4.21Å; K531-L535 WeakPolarHBondContact O-CD1 3.33Å; K531-L535 WeakPolarHBondContact O-CG 3.37Å; K531-L535 PolarHBondContact O-N 3.38Å; K531-L535 VanDerWaalsContact O-N 3.08Å; R532-L535 PolarHBondContact O-N 2.95Å; N533-L535 VanDerWaalsContact C-N 3.33Å; N533-L535 PolarHBondContact O-N 3.11Å; L535-L539 WeakPolarHBondContact O-CB 3.45Å; L535-L539 PolarHBondContact O-N 2.88Å
536	K	96.6	Very high	95.8	Very high	79 Å²	79	57.4 Å²	57.4	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-48.4	174.7	-174.3	170.9	-177.1	162.9	0	111.1	F503 E507 R532 N533 E534 D538 L539 E540	F503-K536 HydrophobicContact CE1-CB 3.91Å; F503-K536 HydrophobicContact CE1-CD 4.27Å; F503-K536 HydrophobicContact CE1-CG 4.07Å; F503-K536 HydrophobicContact CZ-CB 3.65Å; F503-K536 HydrophobicContact CZ-CG 4.26Å; E507-K536 IonicContact OE1-NZ 3.56Å; R532-K536 PolarHBondContact O-N 2.87Å; R532-K536 VanDerWaalsContact O-N 3.12Å; N533-K536 PolarHBondContact O-N 3.39Å; E534-K536 VanDerWaalsContact C-N 3.35Å; E534-K536 PolarHBondContact O-N 2.94Å; K536-D538 PolarHBondContact O-N 3.32Å; K536-L539 PolarHBondContact O-N 3.2Å; K536-E540 WeakPolarHBondContact CE-OE1 3.45Å; K536-E540 HydrophobicContact CG-CG 4.42Å; K536-E540 WeakPolarHBondContact CG-OE1 3.24Å; K536-E540 WeakPolarHBondContact O-CB 3.42Å; K536-E540 VanDerWaalsContact O-CG 3.29Å; K536-E540 WeakPolarHBondContact O-CG 3.28Å; K536-E540 PolarHBondContact O-N 3.38Å
537	Q	97.3	Very high	95.7	Very high	135 Å²	135	55 Å²	55	63%	0.631	29%	0.29	S	S	*	.	H	α-helix	trans	-63.6	-40.5	179.8	-72.4	177	7.1	0	0	112.5	N533 E534 G541	N533-Q537 WeakPolarHBondContact O-CG 3.37Å; N533-Q537 PolarHBondContact O-N 3.37Å; E534-Q537 PolarHBondContact O-N 3.47Å; Q537-G541 PolarHBondContact O-N 2.85Å
538	D	96.6	Very high	95.6	Very high	78 Å²	78	56.7 Å²	56.7	42%	0.417	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-44.3	176.2	179.7	58.1	0	0	0	111.8	E534 K536 G541 K542	E534-D538 PolarHBondContact O-N 2.9Å; K536-D538 PolarHBondContact O-N 3.32Å; D538-G541 PolarHBondContact O-N 2.95Å; D538-K542 PolarHBondContact O-N 3.48Å; D538-K542 VanDerWaalsContact O-N 3.09Å; D538-K542 IonicContact OD1-NZ 3.31Å; D538-K542 PolarHBondContact OD1-NZ 3.46Å; D538-K542 IonicContact OD2-NZ 3.89Å; D538-K542 PolarHBondContact OD2-NZ 3Å
539	L	96.2	Very high	95.3	Very high	11 Å²	11	59.3 Å²	59.3	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-65.5	-44.7	177.4	-173.7	62.3	0	0	0	112	V467 V471 F503 L535 K536 G541 K542 F543	V467-L539 HydrophobicContact CG1-CD1 3.94Å; V467-L539 HydrophobicContact CG1-CD2 4.09Å; V471-L539 HydrophobicContact CB-CD1 4.5Å; V471-L539 HydrophobicContact CG1-CD1 4.43Å; V471-L539 HydrophobicContact CG2-CD1 3.96Å; F503-L539 HydrophobicContact CB-CD2 4.21Å; F503-L539 HydrophobicContact CD2-CD2 3.57Å; F503-L539 HydrophobicContact CE2-CD2 4.23Å; F503-L539 HydrophobicContact CG-CD2 4.07Å; L535-L539 WeakPolarHBondContact O-CB 3.45Å; L535-L539 PolarHBondContact O-N 2.88Å; K536-L539 PolarHBondContact O-N 3.2Å; L539-G541 VanDerWaalsContact C-N 3.32Å; L539-G541 PolarHBondContact O-N 3.39Å; L539-K542 WeakPolarHBondContact O-CB 3.42Å; L539-K542 PolarHBondContact O-N 3.02Å; L539-F543 HydrophobicContact CD1-CD1 4.32Å; L539-F543 HydrophobicContact CD1-CE1 3.56Å; L539-F543 HydrophobicContact CD1-CE2 4.49Å; L539-F543 HydrophobicContact CD1-CZ 3.66Å; L539-F543 HydrophobicContact CD2-CE2 4.21Å; L539-F543 HydrophobicContact CD2-CZ 3.82Å; L539-F543 HydrophobicContact CG-CE1 3.87Å; L539-F543 HydrophobicContact CG-CE2 3.88Å; L539-F543 HydrophobicContact CG-CZ 3.5Å; L539-F543 VanDerWaalsContact CG-CZ 3.5Å; L539-F543 WeakPolarHBondContact O-CG 3.39Å; L539-F543 PolarHBondContact O-N 3.48Å
540	E	95	Very high	95.1	Very high	93 Å²	93	57.3 Å²	57.3	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-41.9	175	-75.2	173.3	178.1	0	0	111.4	K536 K542 F543 C544	K536-E540 WeakPolarHBondContact CE-OE1 3.45Å; K536-E540 HydrophobicContact CG-CG 4.42Å; K536-E540 WeakPolarHBondContact CG-OE1 3.24Å; K536-E540 WeakPolarHBondContact O-CB 3.42Å; K536-E540 VanDerWaalsContact O-CG 3.29Å; K536-E540 WeakPolarHBondContact O-CG 3.28Å; K536-E540 PolarHBondContact O-N 3.38Å; E540-K542 VanDerWaalsContact C-N 3.33Å; E540-K542 PolarHBondContact O-N 3.43Å; E540-F543 PolarHBondContact O-N 3.47Å; E540-C544 PolarHBondContact O-N 2.82Å; E540-C544 PolarHBondContact O-SG 3.04Å; E540-C544 VanDerWaalsContact O-SG 3.38Å
541	G	96	Very high	94.9	Very high	34 Å²	34	54.3 Å²	54.3	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-39.3	175.1	0	0	0	0	0	113.2	Q537 D538 L539 T545	Q537-G541 PolarHBondContact O-N 2.85Å; D538-G541 PolarHBondContact O-N 2.95Å; L539-G541 VanDerWaalsContact C-N 3.32Å; L539-G541 PolarHBondContact O-N 3.39Å; G541-T545 WeakPolarHBondContact O-CB 3.32Å; G541-T545 PolarHBondContact O-N 3.47Å; G541-T545 PolarHBondContact O-OG1 3.32Å
542	K	94.8	Very high	94.6	Very high	39 Å²	39	54.5 Å²	54.5	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-66.5	-40.7	174.2	-75.9	166.6	-177.8	158	0	111.8	D468 V471 L475 D538 L539 E540 T545 G546	D468-K542 WeakPolarHBondContact OD1-CE 3.32Å; D468-K542 IonicContact OD1-NZ 2.69Å; D468-K542 PolarHBondContact OD1-NZ 3.46Å; D468-K542 IonicContact OD2-NZ 3.59Å; V471-K542 HydrophobicContact CG1-CB 3.87Å; V471-K542 HydrophobicContact CG1-CD 4.42Å; L475-K542 HydrophobicContact CD1-CB 3.91Å; L475-K542 HydrophobicContact CD1-CG 3.99Å; D538-K542 PolarHBondContact O-N 3.48Å; D538-K542 VanDerWaalsContact O-N 3.09Å; D538-K542 IonicContact OD1-NZ 3.31Å; D538-K542 PolarHBondContact OD1-NZ 3.46Å; D538-K542 IonicContact OD2-NZ 3.89Å; D538-K542 PolarHBondContact OD2-NZ 3Å; L539-K542 WeakPolarHBondContact O-CB 3.42Å; L539-K542 PolarHBondContact O-N 3.02Å; E540-K542 VanDerWaalsContact C-N 3.33Å; E540-K542 PolarHBondContact O-N 3.43Å; K542-T545 PolarHBondContact O-N 3.01Å; K542-G546 PolarHBondContact O-N 2.96Å
543	F	94.5	Very high	94.3	Very high	19 Å²	19	53.1 Å²	53.1	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-48.2	174.6	-65.4	-13.8	0	0	0	111.9	V471 I496 A499 L539 E540 T545 G546 L547	V471-F543 HydrophobicContact CG1-CD1 4.41Å; V471-F543 HydrophobicContact CG1-CE1 4.31Å; V471-F543 HydrophobicContact CG2-CE1 4Å; I496-F543 HydrophobicContact CG1-CB 4.46Å; I496-F543 HydrophobicContact CG1-CD1 3.83Å; I496-F543 HydrophobicContact CG1-CE1 4.22Å; I496-F543 HydrophobicContact CG1-CG 4.12Å; I496-F543 HydrophobicContact CG2-CD2 4.21Å; I496-F543 HydrophobicContact CG2-CE2 4.3Å; I496-F543 HydrophobicContact CG2-CG 4.39Å; A499-F543 HydrophobicContact CB-CE1 3.86Å; A499-F543 HydrophobicContact CB-CZ 3.53Å; L539-F543 HydrophobicContact CD1-CD1 4.32Å; L539-F543 HydrophobicContact CD1-CE1 3.56Å; L539-F543 HydrophobicContact CD1-CE2 4.49Å; L539-F543 HydrophobicContact CD1-CZ 3.66Å; L539-F543 HydrophobicContact CD2-CE2 4.21Å; L539-F543 HydrophobicContact CD2-CZ 3.82Å; L539-F543 HydrophobicContact CG-CE1 3.87Å; L539-F543 HydrophobicContact CG-CE2 3.88Å; L539-F543 HydrophobicContact CG-CZ 3.5Å; L539-F543 VanDerWaalsContact CG-CZ 3.5Å; L539-F543 WeakPolarHBondContact O-CG 3.39Å; L539-F543 PolarHBondContact O-N 3.48Å; E540-F543 PolarHBondContact O-N 3.47Å; F543-T545 VanDerWaalsContact C-N 3.32Å; F543-T545 PolarHBondContact O-N 3.31Å; F543-G546 PolarHBondContact O-N 3.03Å; F543-L547 WeakPolarHBondContact O-CB 3.48Å; F543-L547 WeakPolarHBondContact O-CG 3.47Å; F543-L547 PolarHBondContact O-N 3Å
544	C	94	Very high	94.1	Very high	86 Å²	86	49.7 Å²	49.7	58%	0.581	26%	0.258	S	S	*	.	H	α-helix	trans	-56.5	-47.5	176.4	-70.1	0	0	0	0	111.5	E540 G546 L547 E548	E540-C544 PolarHBondContact O-N 2.82Å; E540-C544 PolarHBondContact O-SG 3.04Å; E540-C544 VanDerWaalsContact O-SG 3.38Å; C544-G546 VanDerWaalsContact C-N 3.33Å; C544-G546 PolarHBondContact O-N 2.93Å; C544-L547 PolarHBondContact O-N 2.83Å; C544-E548 WeakPolarHBondContact O-CB 3.4Å; C544-E548 PolarHBondContact O-N 3.11Å
545	T	93.5	Very high	93.9	Very high	67 Å²	67	45.9 Å²	45.9	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-42.6	178.1	-58.5	0	0	0	0	111.9	G541 K542 F543 K549	G541-T545 WeakPolarHBondContact O-CB 3.32Å; G541-T545 PolarHBondContact O-N 3.47Å; G541-T545 PolarHBondContact O-OG1 3.32Å; K542-T545 PolarHBondContact O-N 3.01Å; F543-T545 VanDerWaalsContact C-N 3.32Å; F543-T545 PolarHBondContact O-N 3.31Å; T545-K549 WeakPolarHBondContact O-CG 3.35Å; T545-K549 PolarHBondContact O-N 2.96Å; T545-K549 VanDerWaalsContact O-N 3.17Å
546	G	91.7	Very high	93.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72.6	-40.3	-179.5	0	0	0	0	0	113.4	F492 K542 F543 C544 E548 K549 C550	F492-G546 VanDerWaalsContact CE1-CA 3.41Å; K542-G546 PolarHBondContact O-N 2.96Å; F543-G546 PolarHBondContact O-N 3.03Å; C544-G546 VanDerWaalsContact C-N 3.33Å; C544-G546 PolarHBondContact O-N 2.93Å; G546-E548 VanDerWaalsContact C-N 3.33Å; G546-E548 PolarHBondContact O-N 3.38Å; G546-K549 PolarHBondContact O-N 3.28Å; G546-C550 PolarHBondContact O-N 2.92Å; G546-C550 PolarHBondContact O-SG 3.04Å; G546-C550 VanDerWaalsContact O-SG 3.36Å
547	L	93.3	Very high	93.4	Very high	21 Å²	21	45.1 Å²	45.1	11%	0.11	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-42	173.5	-72.6	176.7	0	0	0	111.6	F493 I496 F543 C544 K549 C550 L551 L609 F617	F493-L547 HydrophobicContact CD1-CD2 3.88Å; F493-L547 HydrophobicContact CE1-CD2 3.71Å; I496-L547 HydrophobicContact CD1-CD1 4.22Å; I496-L547 HydrophobicContact CD1-CD2 3.42Å; I496-L547 VanDerWaalsContact CD1-CD2 3.42Å; I496-L547 HydrophobicContact CD1-CG 3.63Å; F543-L547 WeakPolarHBondContact O-CB 3.48Å; F543-L547 WeakPolarHBondContact O-CG 3.47Å; F543-L547 PolarHBondContact O-N 3Å; C544-L547 PolarHBondContact O-N 2.83Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.29Å; L547-C550 PolarHBondContact O-N 2.85Å; L547-L551 VanDerWaalsContact O-CB 3.25Å; L547-L551 WeakPolarHBondContact O-CB 3.23Å; L547-L551 PolarHBondContact O-N 3.4Å; L547-L609 HydrophobicContact CD2-CD1 3.81Å; L547-L609 HydrophobicContact CD2-CD2 4.23Å; L547-F617 HydrophobicContact CB-CD2 4.42Å; L547-F617 HydrophobicContact CD2-CD2 4.08Å; L547-F617 HydrophobicContact CD2-CE2 4.47Å
548	E	92.8	Very high	93.2	Very high	114 Å²	114	38.7 Å²	38.7	53%	0.533	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-39.6	175.6	-172.9	178.9	-177.8	0	0	111.9	C544 G546 L551 N552	C544-E548 WeakPolarHBondContact O-CB 3.4Å; C544-E548 PolarHBondContact O-N 3.11Å; G546-E548 VanDerWaalsContact C-N 3.33Å; G546-E548 PolarHBondContact O-N 3.38Å; E548-L551 WeakPolarHBondContact O-CB 3.24Å; E548-L551 PolarHBondContact O-N 3.26Å; E548-N552 WeakPolarHBondContact O-CB 3.39Å; E548-N552 PolarHBondContact O-N 3.37Å; E548-N552 PolarHBondContact O-ND2 2.88Å
549	K	90.9	Very high	93.1	Very high	59 Å²	59	39.5 Å²	39.5	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-45.9	174.8	-73.4	179.6	-176.9	-173.8	0	112.4	L478 N479 T545 G546 L547 L551 N552 L553	L478-K549 HydrophobicContact CB-CB 4.49Å; L478-K549 HydrophobicContact CB-CD 4.45Å; L478-K549 HydrophobicContact CD1-CB 4.08Å; N479-K549 WeakPolarHBondContact OD1-CE 3.47Å; N479-K549 PolarHBondContact OD1-NZ 3.17Å; T545-K549 WeakPolarHBondContact O-CG 3.35Å; T545-K549 PolarHBondContact O-N 2.96Å; T545-K549 VanDerWaalsContact O-N 3.17Å; G546-K549 PolarHBondContact O-N 3.28Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.29Å; K549-L551 VanDerWaalsContact C-N 3.27Å; K549-L551 PolarHBondContact O-N 3.41Å; K549-N552 PolarHBondContact O-N 3.28Å; K549-L553 WeakPolarHBondContact O-CB 3.48Å; K549-L553 WeakPolarHBondContact O-CG 3.35Å; K549-L553 PolarHBondContact O-N 2.91Å
550	C	91.3	Very high	92.9	Very high	2 Å²	2	43 Å²	43	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-44.7	174.7	-70.6	0	0	0	0	111.2	F493 G546 L547 L553 A554 F617	F493-C550 HydrophobicContact CE1-CB 3.86Å; F493-C550 HydrophobicContact CZ-CB 4.12Å; G546-C550 PolarHBondContact O-N 2.92Å; G546-C550 PolarHBondContact O-SG 3.04Å; G546-C550 VanDerWaalsContact O-SG 3.36Å; L547-C550 PolarHBondContact O-N 2.85Å; C550-L553 PolarHBondContact O-N 2.85Å; C550-A554 WeakPolarHBondContact O-CB 3.37Å; C550-A554 PolarHBondContact O-N 3.06Å; C550-F617 HydrophobicContact CB-CE2 4.41Å
551	L	92.4	Very high	92.8	Very high	11 Å²	11	38.9 Å²	38.9	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-49	175.6	175.2	62.8	0	0	0	111.5	L547 E548 K549 A554 I555 F617 E620 F621 K624	L547-L551 VanDerWaalsContact O-CB 3.25Å; L547-L551 WeakPolarHBondContact O-CB 3.23Å; L547-L551 PolarHBondContact O-N 3.4Å; E548-L551 WeakPolarHBondContact O-CB 3.24Å; E548-L551 PolarHBondContact O-N 3.26Å; K549-L551 VanDerWaalsContact C-N 3.27Å; K549-L551 PolarHBondContact O-N 3.41Å; L551-A554 PolarHBondContact O-N 3.27Å; L551-I555 WeakPolarHBondContact O-CG1 3.42Å; L551-I555 PolarHBondContact O-N 2.92Å; L551-F617 HydrophobicContact CB-CE2 3.92Å; L551-F617 HydrophobicContact CB-CZ 4.45Å; L551-E620 HydrophobicContact CD2-CB 3.89Å; L551-F621 VanDerWaalsContact CD1-CA 3.44Å; L551-F621 HydrophobicContact CD1-CB 3.71Å; L551-F621 HydrophobicContact CD1-CD2 3.85Å; L551-F621 HydrophobicContact CD1-CG 4.29Å; L551-K624 HydrophobicContact CD1-CD 4.16Å; L551-K624 HydrophobicContact CD2-CD 3.86Å; L551-K624 VanDerWaalsContact CD2-NZ 3.28Å; L551-K624 HydrophobicContact CG-CD 3.9Å
552	N	91.8	Very high	92.7	Very high	65 Å²	65	37.4 Å²	37.4	35%	0.348	19%	0.191	S	C	.	.	H	α-helix	trans	-68.2	-36.5	-179.5	-68.1	-24.7	0	0	0	112.6	E548 K549 S556 K624	E548-N552 WeakPolarHBondContact O-CB 3.39Å; E548-N552 PolarHBondContact O-N 3.37Å; E548-N552 PolarHBondContact O-ND2 2.88Å; K549-N552 PolarHBondContact O-N 3.28Å; N552-S556 WeakPolarHBondContact O-CB 3.38Å; N552-S556 PolarHBondContact O-N 3.46Å; N552-S556 PolarHBondContact O-OG 2.82Å; N552-K624 PolarHBondContact OD1-NZ 3.21Å
553	L	90.3	Very high	92.6	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.12	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-43.2	174.1	-74.1	170.1	0	0	0	111.6	L478 A481 P488 K549 C550 S556 R557	L478-L553 HydrophobicContact CB-CD1 4.36Å; L478-L553 HydrophobicContact CD2-CD1 4.1Å; A481-L553 HydrophobicContact CB-CD1 4.27Å; A481-L553 HydrophobicContact CB-CD2 4.29Å; P488-L553 HydrophobicContact CB-CB 4.15Å; K549-L553 WeakPolarHBondContact O-CB 3.48Å; K549-L553 WeakPolarHBondContact O-CG 3.35Å; K549-L553 PolarHBondContact O-N 2.91Å; C550-L553 PolarHBondContact O-N 2.85Å; L553-S556 PolarHBondContact O-N 3.4Å; L553-R557 WeakPolarHBondContact O-CB 3.36Å; L553-R557 PolarHBondContact O-N 3.47Å
554	A	91.7	Very high	92.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-46.6	175.9	0	0	0	0	0	111.6	C550 L551 R557 V558 I601 F621	C550-A554 WeakPolarHBondContact O-CB 3.37Å; C550-A554 PolarHBondContact O-N 3.06Å; L551-A554 PolarHBondContact O-N 3.27Å; A554-R557 PolarHBondContact O-N 2.83Å; A554-V558 WeakPolarHBondContact O-CG2 3.44Å; A554-V558 PolarHBondContact O-N 3.12Å; A554-I601 HydrophobicContact CB-CD1 3.66Å; A554-F621 HydrophobicContact CB-CD2 4.3Å; A554-F621 HydrophobicContact CB-CE2 3.76Å
555	I	94.1	Very high	92.2	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-42.3	176.5	-65.4	-63.7	0	0	0	111.5	L551 R557 V558 Q559 F621 K624 L625 T628	L551-I555 WeakPolarHBondContact O-CG1 3.42Å; L551-I555 PolarHBondContact O-N 2.92Å; I555-R557 VanDerWaalsContact C-N 3.27Å; I555-R557 PolarHBondContact O-N 3.37Å; I555-V558 PolarHBondContact O-N 3.47Å; I555-Q559 HydrophobicContact CG2-CG 4.47Å; I555-Q559 WeakPolarHBondContact O-CG 3.49Å; I555-Q559 PolarHBondContact O-N 3.49Å; I555-F621 HydrophobicContact CD1-CD2 4Å; I555-F621 HydrophobicContact CD1-CE2 3.89Å; I555-F621 HydrophobicContact CG1-CD2 4.44Å; I555-F621 HydrophobicContact CG1-CE2 4.47Å; I555-K624 HydrophobicContact CD1-CB 3.65Å; I555-K624 HydrophobicContact CG1-CB 3.82Å; I555-K624 HydrophobicContact CG1-CD 4.32Å; I555-L625 HydrophobicContact CD1-CB 4.22Å; I555-T628 WeakPolarHBondContact CG2-OG1 3.45Å
556	S	92	Very high	92.2	Very high	45 Å²	45	37.6 Å²	37.6	32%	0.315	20%	0.196	S	C	.	.	H	α-helix	trans	-61.9	-36.4	176.9	-58.8	0	0	0	0	112	N552 L553 Q559 Y560	N552-S556 WeakPolarHBondContact O-CB 3.38Å; N552-S556 PolarHBondContact O-N 3.46Å; N552-S556 PolarHBondContact O-OG 2.82Å; L553-S556 PolarHBondContact O-N 3.4Å; S556-Q559 PolarHBondContact O-N 2.91Å; S556-Y560 WeakPolarHBondContact O-CB 3.48Å; S556-Y560 PolarHBondContact O-N 3.22Å
557	R	91.3	Very high	92.1	Very high	32 Å²	32	45.2 Å²	45.2	12%	0.121	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-43.5	174.7	-178.9	62.2	-179	153.9	6.5	111.9	P483 N487 L553 A554 I555 Y560 L561 F597	P483-R557 VanDerWaalsContact O-CD 3.24Å; P483-R557 WeakPolarHBondContact O-CD 3.35Å; P483-R557 PolarHBondContact O-NH1 3Å; N487-R557 PolarHBondContact OD1-NE 3.49Å; L553-R557 WeakPolarHBondContact O-CB 3.36Å; L553-R557 PolarHBondContact O-N 3.47Å; A554-R557 PolarHBondContact O-N 2.83Å; I555-R557 VanDerWaalsContact C-N 3.27Å; I555-R557 PolarHBondContact O-N 3.37Å; R557-Y560 PolarHBondContact O-N 2.69Å; R557-L561 HydrophobicContact CG-CD1 4.44Å; R557-L561 WeakPolarHBondContact O-CG 3.41Å; R557-L561 PolarHBondContact O-N 3.37Å; R557-F597 HydrophobicContact CB-CE1 3.86Å; R557-F597 HydrophobicContact CB-CZ 3.9Å; R557-F597 HydrophobicContact CG-CD1 4.2Å; R557-F597 HydrophobicContact CG-CE1 3.71Å; R557-F597 HydrophobicContact CG-CE2 4.1Å; R557-F597 HydrophobicContact CG-CZ 3.66Å
558	V	93.9	Very high	91.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-46.6	174.2	171.8	0	0	0	0	110.7	A554 I555 Y560 L561 L562 V594 F597 L625 T628	A554-V558 WeakPolarHBondContact O-CG2 3.44Å; A554-V558 PolarHBondContact O-N 3.12Å; I555-V558 PolarHBondContact O-N 3.47Å; V558-Y560 VanDerWaalsContact C-N 3.3Å; V558-Y560 PolarHBondContact O-N 3.26Å; V558-L561 PolarHBondContact O-N 2.91Å; V558-L562 HydrophobicContact CG1-CD1 3.7Å; V558-L562 HydrophobicContact CG1-CG 4.22Å; V558-L562 WeakPolarHBondContact O-CB 3.32Å; V558-L562 VanDerWaalsContact O-CG 3.24Å; V558-L562 WeakPolarHBondContact O-CG 3.44Å; V558-L562 PolarHBondContact O-N 2.72Å; V558-V594 HydrophobicContact CG1-CG1 3.92Å; V558-V594 HydrophobicContact CG1-CG2 4.46Å; V558-V594 HydrophobicContact CG2-CG1 4.35Å; V558-F597 HydrophobicContact CG2-CD1 3.89Å; V558-F597 HydrophobicContact CG2-CE1 3.98Å; V558-L625 HydrophobicContact CG1-CD1 3.83Å; V558-L625 HydrophobicContact CG2-CD1 4.36Å; V558-T628 HydrophobicContact CG1-CG2 4.32Å
559	Q	94.1	Very high	91.6	Very high	95 Å²	95	49.7 Å²	49.7	44%	0.444	25%	0.247	S	C	.	.	H	α-helix	trans	-57	-44.2	175.7	-74.4	175	-8.3	0	0	111.9	I555 S556 S563 T628	I555-Q559 HydrophobicContact CG2-CG 4.47Å; I555-Q559 WeakPolarHBondContact O-CG 3.49Å; I555-Q559 PolarHBondContact O-N 3.49Å; S556-Q559 PolarHBondContact O-N 2.91Å; Q559-S563 VanDerWaalsContact O-CB 3.28Å; Q559-S563 WeakPolarHBondContact O-CB 3.12Å; Q559-S563 PolarHBondContact O-N 2.88Å; Q559-S563 PolarHBondContact O-OG 2.78Å; Q559-S563 VanDerWaalsContact O-OG 3.11Å; Q559-T628 HydrophobicContact CG-CG2 3.4Å
560	Y	91.8	Very high	91.4	Very high	85 Å²	85	48.3 Å²	48.3	33%	0.333	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-55.7	176.3	178.7	-96.6	0	0	0	111.3	R484 S556 R557 V558 L562 S563 S564	R484-Y560 HydrophobicContact CB-CD2 4.29Å; R484-Y560 HydrophobicContact CB-CE2 3.98Å; R484-Y560 HydrophobicContact CG-CD2 3.79Å; R484-Y560 HydrophobicContact CG-CE2 3.82Å; S556-Y560 WeakPolarHBondContact O-CB 3.48Å; S556-Y560 PolarHBondContact O-N 3.22Å; R557-Y560 PolarHBondContact O-N 2.69Å; V558-Y560 VanDerWaalsContact C-N 3.3Å; V558-Y560 PolarHBondContact O-N 3.26Å; Y560-L562 VanDerWaalsContact C-N 3.31Å; Y560-L562 PolarHBondContact O-N 3.27Å; Y560-S563 PolarHBondContact O-N 3.44Å; Y560-S563 PolarHBondContact O-OG 3.5Å; Y560-S564 WeakPolarHBondContact O-CB 3.31Å; Y560-S564 PolarHBondContact O-N 3.5Å; Y560-S564 PolarHBondContact O-OG 3.06Å
561	L	92.2	Very high	91.4	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-53.2	-47.9	179.8	-72.6	173.3	0	0	0	112	R557 V558 S563 S564 E565 V594 F597	R557-L561 HydrophobicContact CG-CD1 4.44Å; R557-L561 WeakPolarHBondContact O-CG 3.41Å; R557-L561 PolarHBondContact O-N 3.37Å; V558-L561 PolarHBondContact O-N 2.91Å; L561-S563 PolarHBondContact O-N 2.87Å; L561-S564 PolarHBondContact O-N 2.81Å; L561-S564 PolarHBondContact O-OG 2.93Å; L561-E565 WeakPolarHBondContact CD2-OE1 3.39Å; L561-E565 WeakPolarHBondContact O-CB 3.38Å; L561-E565 PolarHBondContact O-N 3.39Å; L561-V594 HydrophobicContact CB-CG2 3.78Å; L561-V594 HydrophobicContact CD1-CG2 4.11Å; L561-F597 HydrophobicContact CD1-CB 4.25Å; L561-F597 HydrophobicContact CD1-CD1 4.49Å; L561-F597 HydrophobicContact CD1-CG 4.47Å
562	L	94.2	Very high	91.1	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-45.9	176.7	-71.3	173.6	0	0	0	111.7	V558 Y560 Q566 V594 T628 L629 H632 Y653	V558-L562 HydrophobicContact CG1-CD1 3.7Å; V558-L562 HydrophobicContact CG1-CG 4.22Å; V558-L562 WeakPolarHBondContact O-CB 3.32Å; V558-L562 VanDerWaalsContact O-CG 3.24Å; V558-L562 WeakPolarHBondContact O-CG 3.44Å; V558-L562 PolarHBondContact O-N 2.72Å; Y560-L562 VanDerWaalsContact C-N 3.31Å; Y560-L562 PolarHBondContact O-N 3.27Å; L562-Q566 WeakPolarHBondContact O-CB 3.42Å; L562-Q566 PolarHBondContact O-N 3.43Å; L562-V594 HydrophobicContact CD2-CG2 3.96Å; L562-V594 HydrophobicContact CG-CG2 4.03Å; L562-T628 HydrophobicContact CD1-CG2 4.31Å; L562-L629 HydrophobicContact CD1-CD2 3.86Å; L562-L629 HydrophobicContact CD2-CD2 4.38Å; L562-H632 HydrophobicContact CD1-CB 4.16Å; L562-H632 PolarHBondContact O-CE1 3.33Å; L562-H632 VanDerWaalsContact O-CE1 3.26Å; L562-Y653 WeakPolarHBondContact CD2-OH 3.33Å
563	S	92.3	Very high	90.7	Very high	86 Å²	86	53.7 Å²	53.7	60%	0.601	26%	0.264	S	S	*	.	H	α-helix	trans	-72.6	-30.6	-178.2	71.1	0	0	0	0	114.3	Q559 Y560 L561	Q559-S563 VanDerWaalsContact O-CB 3.28Å; Q559-S563 WeakPolarHBondContact O-CB 3.12Å; Q559-S563 PolarHBondContact O-N 2.88Å; Q559-S563 PolarHBondContact O-OG 2.78Å; Q559-S563 VanDerWaalsContact O-OG 3.11Å; Y560-S563 PolarHBondContact O-N 3.44Å; Y560-S563 PolarHBondContact O-OG 3.5Å; L561-S563 PolarHBondContact O-N 2.87Å
564	S	90.5	Very high	90	Very high	61 Å²	61	58.2 Å²	58.2	43%	0.427	29%	0.288	S	S	.	.	H	α-helix	trans	-89.2	-31.5	-175.5	59.4	0	0	0	0	113.1	Y560 L561	Y560-S564 WeakPolarHBondContact O-CB 3.31Å; Y560-S564 PolarHBondContact O-N 3.5Å; Y560-S564 PolarHBondContact O-OG 3.06Å; L561-S564 PolarHBondContact O-N 2.81Å; L561-S564 PolarHBondContact O-OG 2.93Å
565	E	91.1	Very high	88.7	Confident	55 Å²	55	66.2 Å²	66.2	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-108.9	-28	-171.3	-58.5	-176.7	-170.6	0	0	113.7	L561 R567 A590 H593	L561-E565 WeakPolarHBondContact CD2-OE1 3.39Å; L561-E565 WeakPolarHBondContact O-CB 3.38Å; L561-E565 PolarHBondContact O-N 3.39Å; E565-R567 PolarHBondContact O-N 3.44Å; E565-A590 HydrophobicContact CB-CB 3.7Å; E565-H593 VanDerWaalsContact CD-ND1 3.34Å; E565-H593 IonicContact OE1-ND1 3.13Å; E565-H593 PolarHBondContact OE1-ND1 2.95Å; E565-H593 IonicContact OE2-CE1 3.5Å; E565-H593 IonicContact OE2-CG 3.44Å; E565-H593 IonicContact OE2-ND1 2.67Å; E565-H593 PolarHBondContact OE2-ND1 2.95Å
566	Q	92.3	Very high	86.9	Confident	13 Å²	13	72.9 Å²	72.9	6%	0.061	37%	0.365	C	S	.	.			trans	-80.9	113.4	179.9	-163.4	70.8	18.8	0	0	110.9	L562 F571 S588 A590 F636	L562-Q566 WeakPolarHBondContact O-CB 3.42Å; L562-Q566 PolarHBondContact O-N 3.43Å; Q566-F571 HydrophobicContact CG-CE2 4Å; Q566-F571 HydrophobicContact CG-CZ 4.19Å; Q566-F571 VanDerWaalsContact NE2-CE1 3.32Å; Q566-S588 PolarHBondContact OE1-OG 3.35Å; Q566-A590 HydrophobicContact CB-CB 4.01Å; Q566-F636 HydrophobicContact CB-CZ 4.16Å; Q566-F636 HydrophobicContact CG-CE1 4.1Å; Q566-F636 HydrophobicContact CG-CZ 3.81Å
567	R	89.4	Confident	85.2	Confident	160 Å²	160	73.4 Å²	73.4	60%	0.604	37%	0.372	S	S	*	.			trans	-93	148.2	-179.1	-59.3	170.4	-61.2	-179.7	5.4	110.4	E565 T569 D570	E565-R567 PolarHBondContact O-N 3.44Å; R567-T569 WeakPolarHBondContact CB-OG1 3.33Å; R567-T569 PolarHBondContact O-N 2.95Å; R567-T569 VanDerWaalsContact O-N 3.14Å; R567-D570 WeakPolarHBondContact CB-OD2 3.11Å; R567-D570 IonicContact CZ-OD1 3.39Å; R567-D570 PolarHBondContact N-OD2 2.95Å; R567-D570 IonicContact NE-OD1 3.31Å; R567-D570 PolarHBondContact NE-OD1 2.89Å; R567-D570 IonicContact NE-OD2 2.7Å; R567-D570 IonicContact NH2-OD1 2.71Å; R567-D570 PolarHBondContact NH2-OD1 2.9Å; R567-D570 VanDerWaalsContact O-CB 3.3Å; R567-D570 WeakPolarHBondContact O-CB 3.35Å; R567-D570 PolarHBondContact O-N 3.24Å
568	K	88.7	Confident	82.9	Confident	161 Å²	161	80 Å²	80	70%	0.7	41%	0.41	S	S	*	.	H	α-helix	trans	-58.4	-29.5	175.2	-68.3	-171.9	176.6	-176.4	0	113.1	D570 F571 R572 F636	K568-D570 PolarHBondContact O-N 3.45Å; K568-F571 PolarHBondContact O-N 2.85Å; K568-R572 PolarHBondContact O-N 3.27Å; K568-F636 HydrophobicContact CG-CD1 4.24Å; K568-F636 HydrophobicContact CG-CE1 4.13Å
569	T	87.1	Confident	80.7	Confident	68 Å²	68	84.9 Å²	84.9	42%	0.417	44%	0.444	S	S	.	.	H	α-helix	trans	-67.3	-20.6	175.8	50	0	0	0	0	113.4	R567 F571 R572 P573	R567-T569 WeakPolarHBondContact CB-OG1 3.33Å; R567-T569 PolarHBondContact O-N 2.95Å; R567-T569 VanDerWaalsContact O-N 3.14Å; T569-F571 VanDerWaalsContact C-N 3.3Å; T569-F571 PolarHBondContact O-N 3.26Å; T569-R572 CarbonylContact O-C 3.57Å; T569-R572 VanDerWaalsContact O-C 3.27Å; T569-R572 PolarHBondContact O-N 3.49Å; T569-P573 WeakPolarHBondContact O-CA 3.27Å; T569-P573 VanDerWaalsContact O-N 3.11Å
570	D	86.5	Confident	78.5	Confident	30 Å²	30	83.3 Å²	83.3	16%	0.16	45%	0.453	C	S	.	.	H	α-helix	trans	-69.3	-32.2	-179.7	-57.7	-29.8	0	0	0	110.8	R567 K568	R567-D570 WeakPolarHBondContact CB-OD2 3.11Å; R567-D570 IonicContact CZ-OD1 3.39Å; R567-D570 PolarHBondContact N-OD2 2.95Å; R567-D570 IonicContact NE-OD1 3.31Å; R567-D570 PolarHBondContact NE-OD1 2.89Å; R567-D570 IonicContact NE-OD2 2.7Å; R567-D570 IonicContact NH2-OD1 2.71Å; R567-D570 PolarHBondContact NH2-OD1 2.9Å; R567-D570 VanDerWaalsContact O-CB 3.3Å; R567-D570 WeakPolarHBondContact O-CB 3.35Å; R567-D570 PolarHBondContact O-N 3.24Å; K568-D570 PolarHBondContact O-N 3.45Å
571	F	91	Very high	76.3	Confident	1 Å²	1	85.7 Å²	85.7	0%	0.004	47%	0.47	C	S	.	.	H	α-helix	trans	-105.1	-0.4	175.7	-55.9	-35.5	0	0	0	114.3	Q566 K568 T569 F633 F636 F638 S639 G642 V645 A646	Q566-F571 HydrophobicContact CG-CE2 4Å; Q566-F571 HydrophobicContact CG-CZ 4.19Å; Q566-F571 VanDerWaalsContact NE2-CE1 3.32Å; K568-F571 PolarHBondContact O-N 2.85Å; T569-F571 VanDerWaalsContact C-N 3.3Å; T569-F571 PolarHBondContact O-N 3.26Å; F571-F633 HydrophobicContact CE2-CD1 4.04Å; F571-F633 AromaticContact CE2-CE1 3.89Å; F571-F633 HydrophobicContact CE2-CE1 3.89Å; F571-F633 HydrophobicContact CZ-CD1 4.37Å; F571-F633 AromaticContact CZ-CE1 3.76Å; F571-F633 HydrophobicContact CZ-CE1 3.76Å; F571-F636 HydrophobicContact CD2-CB 3.87Å; F571-F636 AromaticContact CD2-CD1 3.53Å; F571-F636 HydrophobicContact CD2-CD1 3.53Å; F571-F636 HydrophobicContact CD2-CD2 4.32Å; F571-F636 HydrophobicContact CD2-CE1 4.11Å; F571-F636 AromaticContact CD2-CG 3.65Å; F571-F636 HydrophobicContact CD2-CG 3.65Å; F571-F636 HydrophobicContact CE2-CD1 4.14Å; F571-F636 HydrophobicContact CE2-CD2 4.35Å; F571-F636 HydrophobicContact CE2-CE1 4.37Å; F571-F636 HydrophobicContact CE2-CG 4.12Å; F571-F638 HydrophobicContact CB-CD1 3.74Å; F571-F638 HydrophobicContact CB-CE1 3.95Å; F571-F638 HydrophobicContact CD1-CE1 4.32Å; F571-F638 HydrophobicContact CD2-CD1 4.29Å; F571-F638 AromaticContact CD2-CE1 3.61Å; F571-F638 HydrophobicContact CD2-CE1 3.61Å; F571-F638 HydrophobicContact CD2-CZ 4.29Å; F571-F638 HydrophobicContact CE2-CE1 4.17Å; F571-F638 AromaticContact CG-CD1 3.96Å; F571-F638 HydrophobicContact CG-CD1 3.96Å; F571-F638 AromaticContact CG-CE1 3.71Å; F571-F638 HydrophobicContact CG-CE1 3.71Å; F571-F638 WeakPolarHBondContact O-CA 3.44Å; F571-S639 PolarHBondContact O-N 2.98Å; F571-S639 VanDerWaalsContact O-N 3.07Å; F571-G642 WeakPolarHBondContact O-CA 3.34Å; F571-V645 HydrophobicContact CD1-CB 4.45Å; F571-V645 HydrophobicContact CD1-CG1 4.47Å; F571-V645 HydrophobicContact CE1-CG1 4.22Å; F571-A646 HydrophobicContact CD1-CB 3.77Å; F571-A646 HydrophobicContact CE1-CB 3.68Å; F571-A646 HydrophobicContact CG-CB 4.43Å; F571-A646 HydrophobicContact CZ-CB 4.25Å
572	R	87.7	Confident	74.1	Confident	139 Å²	139	91.6 Å²	91.6	53%	0.525	50%	0.5	S	S	.	.	S	Bend	trans	-144.5	71.2	172.4	-170.6	-178.7	175.6	143.9	0.8	109.8	K568 T569	K568-R572 PolarHBondContact O-N 3.27Å; T569-R572 CarbonylContact O-C 3.57Å; T569-R572 VanDerWaalsContact O-C 3.27Å; T569-R572 PolarHBondContact O-N 3.49Å
573	P	81.8	Confident	71.9	Confident	51 Å²	51	96.6 Å²	96.6	33%	0.331	54%	0.542	S	S	.	.			trans	-64.1	144.2	177.7	26.1	-35.6	0	0	0	111.1	T569 I575 T641	T569-P573 WeakPolarHBondContact O-CA 3.27Å; T569-P573 VanDerWaalsContact O-N 3.11Å; P573-I575 PolarHBondContact O-N 3.49Å; P573-T641 VanDerWaalsContact CG-OG1 3.24Å; P573-T641 WeakPolarHBondContact CG-OG1 3.25Å
574	D	75.6	Confident	70.3	Confident	119 Å²	119	95.2 Å²	95.2	64%	0.636	54%	0.542	S	S	*	.			trans	-69.4	128	176.3	-76.6	-36.5	0	0	0	110.7	N576 A577	D574-N576 PolarHBondContact O-N 3.2Å; D574-A577 WeakPolarHBondContact O-CB 3.34Å; D574-A577 PolarHBondContact O-N 3.38Å
575	I	66	Low	69.2	Low	168 Å²	168	97.3 Å²	97.3	86%	0.862	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24	-178.3	-59.5	169	0	0	0	112	P573	P573-I575 PolarHBondContact O-N 3.49Å
576	N	56.1	Low	68.7	Low	153 Å²	153	98.6 Å²	98.6	82%	0.818	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-8.3	-179.1	-65.1	-16.7	0	0	0	113.9	D574 N578	D574-N576 PolarHBondContact O-N 3.2Å; N576-N578 PolarHBondContact O-N 2.96Å
577	A	54.8	Low	68.4	Low	57 Å²	57	99.7 Å²	99.7	47%	0.471	57%	0.569	S	S	.	*	S	Bend	trans	-77.1	110	169.9	0	0	0	0	0	108	D574 S579	D574-A577 WeakPolarHBondContact O-CB 3.34Å; D574-A577 PolarHBondContact O-N 3.38Å; A577-S579 PolarHBondContact O-N 3.37Å
578	N	42.9	Very low	68.5	Low	170 Å²	170	92.6 Å²	92.6	91%	0.909	54%	0.544	S	S	*	.			trans	-60.8	28.4	175.4	-84	-12.5	0	0	0	114.7	N576 G580	N576-N578 PolarHBondContact O-N 2.96Å; N578-G580 PolarHBondContact O-N 2.8Å
579	S	48.2	Very low	68.6	Low	102 Å²	102	90 Å²	90	71%	0.713	54%	0.537	S	S	*	.			trans	-78	89.7	172	-61.1	0	0	0	0	108.5	A577 I581	A577-S579 PolarHBondContact O-N 3.37Å; S579-I581 PolarHBondContact O-N 3.2Å
580	G	48.3	Very low	68.8	Low	62 Å²	62	86.8 Å²	86.8	64%	0.639	52%	0.518	S	S	*	.			trans	-45.1	126.5	170	0	0	0	0	0	110.9	N578 I582	N578-G580 PolarHBondContact O-N 2.8Å; G580-I582 VanDerWaalsContact C-N 3.32Å; G580-I582 PolarHBondContact O-N 3.36Å
581	I	46	Very low	69.3	Low	136 Å²	136	85.3 Å²	85.3	70%	0.697	51%	0.51	S	S	*	.			trans	-64.7	90.6	177.5	-58.4	161.7	0	0	0	107.5	S579 T641	S579-I581 PolarHBondContact O-N 3.2Å; I581-T641 HydrophobicContact CD1-CG2 3.56Å; I581-T641 HydrophobicContact CG1-CG2 4.03Å
582	I	45.8	Very low	69.4	Low	130 Å²	130	89.6 Å²	89.6	67%	0.667	53%	0.53	S	S	*	.			trans	-93.3	111.5	166.5	-57.4	176.4	0	0	0	106	G580 G584	G580-I582 VanDerWaalsContact C-N 3.32Å; G580-I582 PolarHBondContact O-N 3.36Å; I582-G584 VanDerWaalsContact C-N 3.34Å; I582-G584 PolarHBondContact O-N 3.36Å
583	A	49	Very low	69.7	Low	106 Å²	106	87.1 Å²	87.1	88%	0.876	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	98.6	165.5	0	0	0	0	0	108.4
584	G	57.1	Low	70.4	Confident	58 Å²	58	84.7 Å²	84.7	60%	0.598	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	154.6	-2.9	-170.1	0	0	0	0	0	116.3	I582	I582-G584 VanDerWaalsContact C-N 3.34Å; I582-G584 PolarHBondContact O-N 3.36Å
585	N	67.3	Low	71.3	Confident	105 Å²	105	80.5 Å²	80.5	56%	0.561	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-59.5	143.2	171.6	-81.5	-10.8	0	0	0	110.9	Q648	N585-Q648 PolarHBondContact O-NE2 2.72Å; N585-Q648 PolarHBondContact O-OE1 2.83Å
586	P	81	Confident	72.7	Confident	81 Å²	81	74.5 Å²	74.5	53%	0.526	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-67.4	165.5	171.7	30.3	-35.3	0	0	0	110.9
587	P	86.4	Confident	74.5	Confident	37 Å²	37	67.7 Å²	67.7	24%	0.24	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-49.8	158.4	167.5	-23.7	33.1	0	0	0	111.7	C591 Q592 D649 A652	P587-C591 HydrophobicContact CB-CB 3.98Å; P587-Q592 HydrophobicContact CB-CG 4.41Å; P587-Q592 PolarHBondContact O-NE2 3.32Å; P587-D649 WeakPolarHBondContact CA-OD1 3.4Å; P587-D649 WeakPolarHBondContact CB-OD1 3.27Å; P587-A652 HydrophobicContact CG-CB 4.09Å
588	S	90.5	Very high	76.4	Confident	11 Å²	11	65 Å²	65	8%	0.077	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-53.5	153.8	176.2	67.4	0	0	0	0	111.9	Q566 A590 C591 Q592 D649	Q566-S588 PolarHBondContact OE1-OG 3.35Å; S588-A590 VanDerWaalsContact C-N 3.26Å; S588-A590 PolarHBondContact O-N 3.44Å; S588-C591 WeakPolarHBondContact O-CB 3.39Å; S588-C591 PolarHBondContact O-N 3.49Å; S588-C591 WeakPolarHBondContact OG-CB 3.37Å; S588-C591 PolarHBondContact OG-N 3.07Å; S588-Q592 WeakPolarHBondContact O-CG 3.34Å; S588-Q592 PolarHBondContact O-N 3.25Å; S588-D649 VanDerWaalsContact CB-OD2 3.3Å; S588-D649 WeakPolarHBondContact CB-OD2 3.43Å; S588-D649 PolarHBondContact N-OD1 3Å; S588-D649 PolarHBondContact OG-OD1 3.23Å; S588-D649 PolarHBondContact OG-OD2 3.09Å
589	L	91	Very high	78.9	Confident	105 Å²	105	60 Å²	60	55%	0.55	38%	0.383	S	S	.	.	H	α-helix	trans	-58.6	-41	179.7	-176.2	63.4	0	0	0	111.4	C591 Q592 H593	L589-C591 VanDerWaalsContact C-N 3.32Å; L589-C591 PolarHBondContact O-N 3.26Å; L589-Q592 PolarHBondContact O-N 3.44Å; L589-H593 PolarHBondContact O-N 2.92Å
590	A	93.1	Very high	80.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-40	176.4	0	0	0	0	0	111.3	E565 Q566 S588 H593 V594	E565-A590 HydrophobicContact CB-CB 3.7Å; Q566-A590 HydrophobicContact CB-CB 4.01Å; S588-A590 VanDerWaalsContact C-N 3.26Å; S588-A590 PolarHBondContact O-N 3.44Å; A590-H593 PolarHBondContact O-N 3.38Å; A590-V594 WeakPolarHBondContact O-CB 3.2Å; A590-V594 VanDerWaalsContact O-CG2 3.23Å; A590-V594 WeakPolarHBondContact O-CG2 3.47Å; A590-V594 PolarHBondContact O-N 2.62Å
591	C	95	Very high	83.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-46.2	174.6	179.9	0	0	0	0	112.3	P587 S588 L589 H593 V594 V595 D649 Y653	P587-C591 HydrophobicContact CB-CB 3.98Å; S588-C591 WeakPolarHBondContact O-CB 3.39Å; S588-C591 PolarHBondContact O-N 3.49Å; S588-C591 WeakPolarHBondContact OG-CB 3.37Å; S588-C591 PolarHBondContact OG-N 3.07Å; L589-C591 VanDerWaalsContact C-N 3.32Å; L589-C591 PolarHBondContact O-N 3.26Å; C591-H593 VanDerWaalsContact C-N 3.31Å; C591-H593 PolarHBondContact O-N 3.49Å; C591-V594 PolarHBondContact O-N 3.17Å; C591-V595 WeakPolarHBondContact O-CB 3.5Å; C591-V595 VanDerWaalsContact O-CG2 3.27Å; C591-V595 WeakPolarHBondContact O-CG2 3.5Å; C591-V595 PolarHBondContact O-N 3.17Å; C591-D649 HydrophobicContact CB-CB 4.03Å; C591-D649 WeakPolarHBondContact CB-OD1 3.49Å; C591-Y653 VanDerWaalsContact CA-OH 3.27Å; C591-Y653 WeakPolarHBondContact CA-OH 3.45Å; C591-Y653 HydrophobicContact CB-CE1 4.36Å; C591-Y653 HydrophobicContact CB-CE2 4.47Å
592	Q	94.6	Very high	85.3	Confident	91 Å²	91	49.2 Å²	49.2	43%	0.425	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-43.3	177.7	-66.2	177.5	41.8	0	0	111.8	P587 S588 L589 G596	P587-Q592 HydrophobicContact CB-CG 4.41Å; P587-Q592 PolarHBondContact O-NE2 3.32Å; S588-Q592 WeakPolarHBondContact O-CG 3.34Å; S588-Q592 PolarHBondContact O-N 3.25Å; L589-Q592 PolarHBondContact O-N 3.44Å; Q592-G596 PolarHBondContact O-N 2.92Å
593	H	93.7	Very high	87.5	Confident	86 Å²	86	49.8 Å²	49.8	40%	0.398	30%	0.296	S	S	.	.	H	α-helix	trans	-68.8	-41.4	177.6	-72.2	-178.9	0	0	0	113	E565 L589 A590 C591 G596 F597	E565-H593 VanDerWaalsContact CD-ND1 3.34Å; E565-H593 IonicContact OE1-ND1 3.13Å; E565-H593 PolarHBondContact OE1-ND1 2.95Å; E565-H593 IonicContact OE2-CE1 3.5Å; E565-H593 IonicContact OE2-CG 3.44Å; E565-H593 IonicContact OE2-ND1 2.67Å; E565-H593 PolarHBondContact OE2-ND1 2.95Å; L589-H593 PolarHBondContact O-N 2.92Å; A590-H593 PolarHBondContact O-N 3.38Å; C591-H593 VanDerWaalsContact C-N 3.31Å; C591-H593 PolarHBondContact O-N 3.49Å; H593-G596 PolarHBondContact O-N 3.33Å; H593-F597 WeakPolarHBondContact O-CB 3.27Å; H593-F597 PolarHBondContact O-N 3.33Å
594	V	95.5	Very high	89.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-45.1	175.8	170.7	0	0	0	0	110.8	V558 L561 L562 A590 C591 F597 I598 Y653	V558-V594 HydrophobicContact CG1-CG1 3.92Å; V558-V594 HydrophobicContact CG1-CG2 4.46Å; V558-V594 HydrophobicContact CG2-CG1 4.35Å; L561-V594 HydrophobicContact CB-CG2 3.78Å; L561-V594 HydrophobicContact CD1-CG2 4.11Å; L562-V594 HydrophobicContact CD2-CG2 3.96Å; L562-V594 HydrophobicContact CG-CG2 4.03Å; A590-V594 WeakPolarHBondContact O-CB 3.2Å; A590-V594 VanDerWaalsContact O-CG2 3.23Å; A590-V594 WeakPolarHBondContact O-CG2 3.47Å; A590-V594 PolarHBondContact O-N 2.62Å; C591-V594 PolarHBondContact O-N 3.17Å; V594-F597 PolarHBondContact O-N 3.07Å; V594-I598 HydrophobicContact CG1-CD1 3.62Å; V594-I598 HydrophobicContact CG1-CG1 4.33Å; V594-I598 WeakPolarHBondContact O-CB 3.37Å; V594-I598 VanDerWaalsContact O-CG1 3.24Å; V594-I598 WeakPolarHBondContact O-CG1 3.39Å; V594-I598 PolarHBondContact O-N 3.34Å; V594-Y653 HydrophobicContact CB-CE1 3.89Å; V594-Y653 HydrophobicContact CG1-CD1 4.33Å; V594-Y653 HydrophobicContact CG1-CE1 3.52Å
595	V	96.2	Very high	91.1	Very high	31 Å²	31	43.5 Å²	43.5	19%	0.188	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-43	176.2	170.9	0	0	0	0	110.9	C591 F597 I598 T599 A652 Y653 I656	C591-V595 WeakPolarHBondContact O-CB 3.5Å; C591-V595 VanDerWaalsContact O-CG2 3.27Å; C591-V595 WeakPolarHBondContact O-CG2 3.5Å; C591-V595 PolarHBondContact O-N 3.17Å; V595-F597 VanDerWaalsContact C-N 3.34Å; V595-F597 PolarHBondContact O-N 3.34Å; V595-I598 PolarHBondContact O-N 2.87Å; V595-T599 WeakPolarHBondContact O-CB 3.41Å; V595-T599 PolarHBondContact O-N 3.14Å; V595-T599 PolarHBondContact O-OG1 2.96Å; V595-A652 HydrophobicContact CG2-CB 4.2Å; V595-Y653 HydrophobicContact CG2-CD1 3.84Å; V595-Y653 HydrophobicContact CG2-CE1 4Å; V595-I656 HydrophobicContact CG1-CB 4.42Å; V595-I656 HydrophobicContact CG2-CG2 4.42Å
596	G	94.5	Very high	92.4	Very high	43 Å²	43	42.2 Å²	42.2	44%	0.443	22%	0.224	S	C	.	.	H	α-helix	trans	-59.8	-43.2	174.7	0	0	0	0	0	112.5	Q592 H593 T599 H600	Q592-G596 PolarHBondContact O-N 2.92Å; H593-G596 PolarHBondContact O-N 3.33Å; G596-T599 PolarHBondContact O-N 2.94Å; G596-H600 PolarHBondContact O-N 2.82Å
597	F	93.2	Very high	92.8	Very high	10 Å²	10	44.3 Å²	44.3	4%	0.044	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-44.4	176.1	176	-115.4	0	0	0	112.8	N487 P488 R557 V558 L561 H593 V594 V595 T599 H600 I601	N487-F597 HydrophobicContact CB-CE2 4.29Å; P488-F597 HydrophobicContact CG-CE2 3.97Å; P488-F597 HydrophobicContact CG-CZ 3.66Å; R557-F597 HydrophobicContact CB-CE1 3.86Å; R557-F597 HydrophobicContact CB-CZ 3.9Å; R557-F597 HydrophobicContact CG-CD1 4.2Å; R557-F597 HydrophobicContact CG-CE1 3.71Å; R557-F597 HydrophobicContact CG-CE2 4.1Å; R557-F597 HydrophobicContact CG-CZ 3.66Å; V558-F597 HydrophobicContact CG2-CD1 3.89Å; V558-F597 HydrophobicContact CG2-CE1 3.98Å; L561-F597 HydrophobicContact CD1-CB 4.25Å; L561-F597 HydrophobicContact CD1-CD1 4.49Å; L561-F597 HydrophobicContact CD1-CG 4.47Å; H593-F597 WeakPolarHBondContact O-CB 3.27Å; H593-F597 PolarHBondContact O-N 3.33Å; V594-F597 PolarHBondContact O-N 3.07Å; V595-F597 VanDerWaalsContact C-N 3.34Å; V595-F597 PolarHBondContact O-N 3.34Å; F597-T599 VanDerWaalsContact C-N 3.31Å; F597-T599 PolarHBondContact O-N 3.1Å; F597-H600 WeakPolarHBondContact O-CB 3.46Å; F597-H600 PolarHBondContact O-N 3.11Å; F597-I601 HydrophobicContact CD1-CD1 3.9Å; F597-I601 HydrophobicContact CE1-CD1 3.3Å; F597-I601 HydrophobicContact CE1-CG1 4.3Å; F597-I601 HydrophobicContact CE2-CD1 4.02Å; F597-I601 HydrophobicContact CE2-CG1 4.17Å; F597-I601 HydrophobicContact CZ-CD1 3.37Å; F597-I601 HydrophobicContact CZ-CG1 3.97Å; F597-I601 PolarHBondContact O-N 2.86Å
598	I	95.3	Very high	93	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-41.5	175.2	-69.4	163.3	0	0	0	110.7	V594 V595 H600 I601 N602 F621 L625 I656 F660	V594-I598 HydrophobicContact CG1-CD1 3.62Å; V594-I598 HydrophobicContact CG1-CG1 4.33Å; V594-I598 WeakPolarHBondContact O-CB 3.37Å; V594-I598 VanDerWaalsContact O-CG1 3.24Å; V594-I598 WeakPolarHBondContact O-CG1 3.39Å; V594-I598 PolarHBondContact O-N 3.34Å; V595-I598 PolarHBondContact O-N 2.87Å; I598-H600 VanDerWaalsContact C-N 3.26Å; I598-H600 PolarHBondContact O-N 3.46Å; I598-I601 PolarHBondContact O-N 2.94Å; I598-N602 WeakPolarHBondContact O-CB 3.43Å; I598-N602 PolarHBondContact O-N 3.28Å; I598-F621 HydrophobicContact CG1-CE1 4.25Å; I598-F621 HydrophobicContact CG1-CZ 4.11Å; I598-F621 HydrophobicContact CG2-CE1 4.11Å; I598-L625 HydrophobicContact CD1-CD1 3.99Å; I598-L625 HydrophobicContact CD1-CD2 3.56Å; I598-L625 HydrophobicContact CD1-CG 4.43Å; I598-L625 HydrophobicContact CG1-CD2 4.35Å; I598-I656 HydrophobicContact CB-CG1 4.23Å; I598-I656 HydrophobicContact CD1-CG2 4.37Å; I598-I656 HydrophobicContact CG2-CB 4.49Å; I598-I656 HydrophobicContact CG2-CG1 3.48Å; I598-I656 VanDerWaalsContact CG2-CG1 3.48Å; I598-I656 HydrophobicContact CG2-CG2 4.16Å; I598-F660 HydrophobicContact CG2-CE1 3.89Å; I598-F660 HydrophobicContact CG2-CZ 3.6Å
599	T	94.7	Very high	93	Very high	65 Å²	65	43.9 Å²	43.9	40%	0.399	22%	0.22	S	C	.	.	H	α-helix	trans	-59.8	-40.3	176.7	-56.8	0	0	0	0	110.8	V595 G596 F597 N602 R603 I656	V595-T599 WeakPolarHBondContact O-CB 3.41Å; V595-T599 PolarHBondContact O-N 3.14Å; V595-T599 PolarHBondContact O-OG1 2.96Å; G596-T599 PolarHBondContact O-N 2.94Å; F597-T599 VanDerWaalsContact C-N 3.31Å; F597-T599 PolarHBondContact O-N 3.1Å; T599-N602 PolarHBondContact O-N 3.4Å; T599-R603 PolarHBondContact O-N 2.87Å; T599-I656 WeakPolarHBondContact OG1-CD1 3.39Å
600	H	91.9	Very high	92.9	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.25	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-50.9	173.2	174.8	45.9	0	0	0	112	G596 F597 I598 N602 R603 E604	G596-H600 PolarHBondContact O-N 2.82Å; F597-H600 WeakPolarHBondContact O-CB 3.46Å; F597-H600 PolarHBondContact O-N 3.11Å; I598-H600 VanDerWaalsContact C-N 3.26Å; I598-H600 PolarHBondContact O-N 3.46Å; H600-N602 VanDerWaalsContact C-N 3.27Å; H600-N602 PolarHBondContact O-N 3.14Å; H600-R603 PolarHBondContact ND1-NH2 3.22Å; H600-R603 PolarHBondContact O-N 2.99Å; H600-R603 VanDerWaalsContact O-N 3.16Å; H600-E604 WeakPolarHBondContact CE1-CG 3.47Å; H600-E604 IonicContact CE1-OE1 2.7Å; H600-E604 PolarHBondContact CE1-OE1 3.46Å; H600-E604 VanDerWaalsContact CE1-OE1 3.29Å; H600-E604 IonicContact ND1-OE1 2.76Å; H600-E604 PolarHBondContact ND1-OE1 3.22Å; H600-E604 WeakPolarHBondContact O-CG 3.35Å; H600-E604 PolarHBondContact O-N 3.37Å
601	I	92.6	Very high	92.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-54.7	-46.6	175.5	-70.2	164.7	0	0	0	110.6	L490 A554 F597 I598 R603 E604 T605 F617 F621	L490-I601 HydrophobicContact CD1-CG1 4.05Å; A554-I601 HydrophobicContact CB-CD1 3.66Å; F597-I601 HydrophobicContact CD1-CD1 3.9Å; F597-I601 HydrophobicContact CE1-CD1 3.3Å; F597-I601 HydrophobicContact CE1-CG1 4.3Å; F597-I601 HydrophobicContact CE2-CD1 4.02Å; F597-I601 HydrophobicContact CE2-CG1 4.17Å; F597-I601 HydrophobicContact CZ-CD1 3.37Å; F597-I601 HydrophobicContact CZ-CG1 3.97Å; F597-I601 PolarHBondContact O-N 2.86Å; I598-I601 PolarHBondContact O-N 2.94Å; I601-R603 VanDerWaalsContact C-N 3.29Å; I601-R603 PolarHBondContact O-N 2.91Å; I601-E604 PolarHBondContact O-N 3.12Å; I601-T605 VanDerWaalsContact O-CB 3.31Å; I601-T605 WeakPolarHBondContact O-CB 3.45Å; I601-T605 PolarHBondContact O-N 3.43Å; I601-T605 PolarHBondContact O-OG1 3.32Å; I601-F617 HydrophobicContact CG2-CE1 4.29Å; I601-F621 HydrophobicContact CD1-CE2 4.09Å; I601-F621 HydrophobicContact CD1-CZ 3.8Å
602	N	92.7	Very high	92.5	Very high	19 Å²	19	52.2 Å²	52.2	10%	0.102	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-44.2	-178	-165.7	52.6	0	0	0	110.7	I598 T599 H600 H606	I598-N602 WeakPolarHBondContact O-CB 3.43Å; I598-N602 PolarHBondContact O-N 3.28Å; T599-N602 PolarHBondContact O-N 3.4Å; H600-N602 VanDerWaalsContact C-N 3.27Å; H600-N602 PolarHBondContact O-N 3.14Å; N602-H606 WeakPolarHBondContact O-CB 3.3Å; N602-H606 PolarHBondContact O-N 2.9Å; N602-H606 PolarHBondContact O-ND1 3.37Å; N602-H606 PolarHBondContact OD1-CE1 3.07Å; N602-H606 PolarHBondContact OD1-ND1 3.05Å
603	R	92.2	Very high	92.3	Very high	142 Å²	142	51.2 Å²	51.2	54%	0.536	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-50.3	175.8	-172.8	-174.9	67.2	-141.4	0.2	112.2	T599 H600 I601 T605 H606 Q607	T599-R603 PolarHBondContact O-N 2.87Å; H600-R603 PolarHBondContact ND1-NH2 3.22Å; H600-R603 PolarHBondContact O-N 2.99Å; H600-R603 VanDerWaalsContact O-N 3.16Å; I601-R603 VanDerWaalsContact C-N 3.29Å; I601-R603 PolarHBondContact O-N 2.91Å; R603-T605 VanDerWaalsContact C-N 3.29Å; R603-T605 PolarHBondContact O-N 3.46Å; R603-H606 PolarHBondContact O-N 3.31Å; R603-Q607 WeakPolarHBondContact O-CB 3.33Å; R603-Q607 PolarHBondContact O-N 3.04Å
604	E	90.2	Very high	92.3	Very high	32 Å²	32	48.6 Å²	48.6	15%	0.15	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-36.7	-179.1	-61.2	-52	130.3	0	0	112.1	L490 F493 H600 I601 Q607 H608	L490-E604 HydrophobicContact CB-CB 4.39Å; L490-E604 HydrophobicContact CB-CG 4.49Å; L490-E604 HydrophobicContact CD1-CB 3.79Å; L490-E604 HydrophobicContact CD1-CG 3.81Å; F493-E604 HydrophobicContact CD2-CB 4.26Å; H600-E604 WeakPolarHBondContact CE1-CG 3.47Å; H600-E604 IonicContact CE1-OE1 2.7Å; H600-E604 PolarHBondContact CE1-OE1 3.46Å; H600-E604 VanDerWaalsContact CE1-OE1 3.29Å; H600-E604 IonicContact ND1-OE1 2.76Å; H600-E604 PolarHBondContact ND1-OE1 3.22Å; H600-E604 WeakPolarHBondContact O-CG 3.35Å; H600-E604 PolarHBondContact O-N 3.37Å; I601-E604 PolarHBondContact O-N 3.12Å; E604-Q607 PolarHBondContact O-N 2.94Å; E604-H608 PolarHBondContact O-N 3.17Å; E604-H608 PolarHBondContact O-ND1 3.01Å; E604-H608 IonicContact OE2-CE1 3.56Å; E604-H608 PolarHBondContact OE2-CE1 3.29Å; E604-H608 IonicContact OE2-ND1 2.78Å
605	T	92.5	Very high	92.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-47.5	177.1	-51.6	0	0	0	0	110.4	I601 R603 Q607 H608 L609 L614 F617 L618	I601-T605 VanDerWaalsContact O-CB 3.31Å; I601-T605 WeakPolarHBondContact O-CB 3.45Å; I601-T605 PolarHBondContact O-N 3.43Å; I601-T605 PolarHBondContact O-OG1 3.32Å; R603-T605 VanDerWaalsContact C-N 3.29Å; R603-T605 PolarHBondContact O-N 3.46Å; T605-Q607 VanDerWaalsContact C-N 3.26Å; T605-Q607 PolarHBondContact O-N 3.1Å; T605-H608 PolarHBondContact O-N 3.29Å; T605-L609 HydrophobicContact CG2-CB 4.35Å; T605-L609 HydrophobicContact CG2-CD1 3.78Å; T605-L609 HydrophobicContact CG2-CG 4.43Å; T605-L609 WeakPolarHBondContact O-CA 3.1Å; T605-L609 WeakPolarHBondContact O-CB 3.35Å; T605-L609 PolarHBondContact O-N 2.94Å; T605-L614 HydrophobicContact CG2-CD1 3.47Å; T605-L614 VanDerWaalsContact CG2-CD1 3.47Å; T605-F617 HydrophobicContact CG2-CD1 3.61Å; T605-F617 HydrophobicContact CG2-CE1 4.19Å; T605-F617 HydrophobicContact CG2-CG 4.4Å; T605-L618 HydrophobicContact CG2-CD2 3.92Å; T605-L618 HydrophobicContact CG2-CG 4.09Å
606	H	92.7	Very high	92.2	Very high	78 Å²	78	56.4 Å²	56.4	36%	0.361	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-25.4	178	-77.5	85.6	0	0	0	113.5	N602 R603 L618	N602-H606 WeakPolarHBondContact O-CB 3.3Å; N602-H606 PolarHBondContact O-N 2.9Å; N602-H606 PolarHBondContact O-ND1 3.37Å; N602-H606 PolarHBondContact OD1-CE1 3.07Å; N602-H606 PolarHBondContact OD1-ND1 3.05Å; R603-H606 PolarHBondContact O-N 3.31Å; H606-L618 VanDerWaalsContact CE1-CD1 3.48Å; H606-L618 WeakPolarHBondContact CE1-CD1 3.08Å
607	Q	90.7	Very high	92.2	Very high	124 Å²	124	54.9 Å²	54.9	58%	0.579	28%	0.277	S	S	*	.	H	α-helix	trans	-77.4	-34.2	179.5	-177.2	173.4	-4.1	0	0	112.7	R603 E604 T605	R603-Q607 WeakPolarHBondContact O-CB 3.33Å; R603-Q607 PolarHBondContact O-N 3.04Å; E604-Q607 PolarHBondContact O-N 2.94Å; T605-Q607 VanDerWaalsContact C-N 3.26Å; T605-Q607 PolarHBondContact O-N 3.1Å
608	H	89.6	Confident	92.4	Very high	34 Å²	34	54.6 Å²	54.6	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-119.3	-22.2	-168.7	-56.2	105.1	0	0	0	114.5	F493 H497 E604 T605	F493-H608 HydrophobicContact CB-CB 3.68Å; H497-H608 WeakPolarHBondContact CB-O 3.38Å; E604-H608 PolarHBondContact O-N 3.17Å; E604-H608 PolarHBondContact O-ND1 3.01Å; E604-H608 IonicContact OE2-CE1 3.56Å; E604-H608 PolarHBondContact OE2-CE1 3.29Å; E604-H608 IonicContact OE2-ND1 2.78Å; T605-H608 PolarHBondContact O-N 3.29Å
609	L	91.6	Very high	92.5	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	29%	0.288	C	S	.	.			trans	-105	143	177.4	-59	179.7	0	0	0	110.3	F493 I496 L547 T605 L614 F617	F493-L609 HydrophobicContact CB-CG 4.43Å; F493-L609 HydrophobicContact CD1-CD1 3.89Å; F493-L609 HydrophobicContact CD1-CD2 4.37Å; F493-L609 HydrophobicContact CD1-CG 4.27Å; F493-L609 HydrophobicContact CE1-CD1 4.02Å; F493-L609 HydrophobicContact CG-CD1 4.34Å; F493-L609 HydrophobicContact CG-CG 4.37Å; I496-L609 HydrophobicContact CB-CD2 4.31Å; I496-L609 HydrophobicContact CD1-CD2 4.1Å; I496-L609 HydrophobicContact CG2-CD2 4.02Å; L547-L609 HydrophobicContact CD2-CD1 3.81Å; L547-L609 HydrophobicContact CD2-CD2 4.23Å; T605-L609 HydrophobicContact CG2-CB 4.35Å; T605-L609 HydrophobicContact CG2-CD1 3.78Å; T605-L609 HydrophobicContact CG2-CG 4.43Å; T605-L609 WeakPolarHBondContact O-CA 3.1Å; T605-L609 WeakPolarHBondContact O-CB 3.35Å; T605-L609 PolarHBondContact O-N 2.94Å; L609-L614 HydrophobicContact CB-CB 4.24Å; L609-L614 HydrophobicContact CB-CD1 4.46Å; L609-F617 HydrophobicContact CD1-CB 4.32Å; L609-F617 HydrophobicContact CD1-CG 4.27Å
610	D	88.4	Confident	92.6	Very high	104 Å²	104	57.9 Å²	57.9	56%	0.556	29%	0.287	S	S	*	.			trans	-128	171.5	-176.9	68.5	-13.4	0	0	0	112.6	Q612 N613 L614	D610-Q612 PolarHBondContact O-N 3.14Å; D610-N613 PolarHBondContact O-N 3.45Å; D610-N613 VanDerWaalsContact O-N 3.1Å; D610-L614 PolarHBondContact O-N 3.41Å
611	G	90.5	Very high	92.9	Very high	50 Å²	50	55.3 Å²	55.3	52%	0.515	28%	0.275	S	S	.	.	H	α-helix	trans	49.7	-124.5	169.6	0	0	0	0	0	114.7	K615	G611-K615 WeakPolarHBondContact O-CG 3.35Å; G611-K615 PolarHBondContact O-N 3.04Å
612	Q	90.1	Very high	93.1	Very high	127 Å²	127	55.2 Å²	55.2	59%	0.593	28%	0.275	S	S	*	.	H	α-helix	trans	-76.1	-29.7	-178	-169.9	58.6	41.7	0	0	112.5	D610 K615 T616	D610-Q612 PolarHBondContact O-N 3.14Å; Q612-K615 PolarHBondContact O-N 2.89Å; Q612-T616 PolarHBondContact NE2-OG1 2.96Å; Q612-T616 VanDerWaalsContact O-CB 3.32Å; Q612-T616 WeakPolarHBondContact O-CB 3.3Å; Q612-T616 PolarHBondContact O-N 3.25Å; Q612-T616 PolarHBondContact O-OG1 2.75Å; Q612-T616 VanDerWaalsContact O-OG1 3.11Å
613	N	89.1	Confident	93.4	Very high	71 Å²	71	57.3 Å²	57.3	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-45.7	178.6	-71.9	-28.3	0	0	0	110.8	D610 F617	D610-N613 PolarHBondContact O-N 3.45Å; D610-N613 VanDerWaalsContact O-N 3.1Å; N613-F617 WeakPolarHBondContact O-CB 3.29Å; N613-F617 PolarHBondContact O-N 3.27Å
614	L	93.9	Very high	93.6	Very high	30 Å²	30	53.3 Å²	53.3	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-56.5	-52.6	174.1	177.5	60.8	0	0	0	111.5	T605 L609 D610 F617 L618	T605-L614 HydrophobicContact CG2-CD1 3.47Å; T605-L614 VanDerWaalsContact CG2-CD1 3.47Å; L609-L614 HydrophobicContact CB-CB 4.24Å; L609-L614 HydrophobicContact CB-CD1 4.46Å; D610-L614 PolarHBondContact O-N 3.41Å; L614-F617 PolarHBondContact O-N 3.48Å; L614-L618 HydrophobicContact CD1-CD1 3.63Å; L614-L618 HydrophobicContact CD1-CG 4.12Å; L614-L618 HydrophobicContact CG-CD1 4.11Å; L614-L618 WeakPolarHBondContact O-CB 3.4Å; L614-L618 WeakPolarHBondContact O-CG 3.46Å; L614-L618 PolarHBondContact O-N 2.89Å
615	K	94.7	Very high	94	Very high	132 Å²	132	51.8 Å²	51.8	57%	0.574	26%	0.264	S	S	*	.	H	α-helix	trans	-62.9	-46.8	-177.5	-70.6	178.7	-179.8	-178.8	0	112.6	G611 Q612 H619	G611-K615 WeakPolarHBondContact O-CG 3.35Å; G611-K615 PolarHBondContact O-N 3.04Å; Q612-K615 PolarHBondContact O-N 2.89Å; K615-H619 VanDerWaalsContact O-CB 3.25Å; K615-H619 WeakPolarHBondContact O-CB 3.03Å; K615-H619 PolarHBondContact O-N 2.92Å
616	T	94.8	Very high	94.3	Very high	64 Å²	64	52.7 Å²	52.7	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-42.8	-180	-65.1	0	0	0	0	110.8	Q612 H619 E620	Q612-T616 PolarHBondContact NE2-OG1 2.96Å; Q612-T616 VanDerWaalsContact O-CB 3.32Å; Q612-T616 WeakPolarHBondContact O-CB 3.3Å; Q612-T616 PolarHBondContact O-N 3.25Å; Q612-T616 PolarHBondContact O-OG1 2.75Å; Q612-T616 VanDerWaalsContact O-OG1 3.11Å; T616-H619 PolarHBondContact O-N 3.45Å; T616-E620 HydrophobicContact CG2-CG 4.46Å; T616-E620 WeakPolarHBondContact O-CB 3.27Å; T616-E620 WeakPolarHBondContact O-CG 3.49Å; T616-E620 PolarHBondContact O-N 3.47Å
617	F	95.6	Very high	94.5	Very high	11 Å²	11	57.2 Å²	57.2	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-49.1	178.6	-176.2	-89.6	0	0	0	112.1	F493 L547 C550 L551 I601 T605 L609 N613 L614 H619 E620 F621	F493-F617 AromaticContact CE1-CE2 3.98Å; F493-F617 HydrophobicContact CE1-CE2 3.98Å; F493-F617 HydrophobicContact CE1-CZ 4.05Å; F493-F617 AromaticContact CZ-CE1 3.87Å; F493-F617 HydrophobicContact CZ-CE1 3.87Å; F493-F617 AromaticContact CZ-CE2 3.91Å; F493-F617 HydrophobicContact CZ-CE2 3.91Å; F493-F617 AromaticContact CZ-CZ 3.49Å; F493-F617 HydrophobicContact CZ-CZ 3.49Å; F493-F617 VanDerWaalsContact CZ-CZ 3.49Å; L547-F617 HydrophobicContact CB-CD2 4.42Å; L547-F617 HydrophobicContact CD2-CD2 4.08Å; L547-F617 HydrophobicContact CD2-CE2 4.47Å; C550-F617 HydrophobicContact CB-CE2 4.41Å; L551-F617 HydrophobicContact CB-CE2 3.92Å; L551-F617 HydrophobicContact CB-CZ 4.45Å; I601-F617 HydrophobicContact CG2-CE1 4.29Å; T605-F617 HydrophobicContact CG2-CD1 3.61Å; T605-F617 HydrophobicContact CG2-CE1 4.19Å; T605-F617 HydrophobicContact CG2-CG 4.4Å; L609-F617 HydrophobicContact CD1-CB 4.32Å; L609-F617 HydrophobicContact CD1-CG 4.27Å; N613-F617 WeakPolarHBondContact O-CB 3.29Å; N613-F617 PolarHBondContact O-N 3.27Å; L614-F617 PolarHBondContact O-N 3.48Å; F617-H619 VanDerWaalsContact C-N 3.35Å; F617-H619 PolarHBondContact O-N 3.4Å; F617-E620 PolarHBondContact O-N 2.98Å; F617-F621 HydrophobicContact CE1-CB 4.43Å; F617-F621 VanDerWaalsContact O-CB 3.25Å; F617-F621 WeakPolarHBondContact O-CB 3.42Å; F617-F621 PolarHBondContact O-N 3.5Å
618	L	96.8	Very high	94.8	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-36.3	179.8	-68.9	177.3	0	0	0	112.5	T605 H606 L614 G622 F660	T605-L618 HydrophobicContact CG2-CD2 3.92Å; T605-L618 HydrophobicContact CG2-CG 4.09Å; H606-L618 VanDerWaalsContact CE1-CD1 3.48Å; H606-L618 WeakPolarHBondContact CE1-CD1 3.08Å; L614-L618 HydrophobicContact CD1-CD1 3.63Å; L614-L618 HydrophobicContact CD1-CG 4.12Å; L614-L618 HydrophobicContact CG-CD1 4.11Å; L614-L618 WeakPolarHBondContact O-CB 3.4Å; L614-L618 WeakPolarHBondContact O-CG 3.46Å; L614-L618 PolarHBondContact O-N 2.89Å; L618-G622 PolarHBondContact O-N 2.92Å; L618-F660 HydrophobicContact CB-CB 4.07Å; L618-F660 HydrophobicContact CD2-CD1 3.96Å
619	H	97.3	Very high	95.2	Very high	52 Å²	52	50.2 Å²	50.2	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-54.9	172.7	176.3	68.1	0	0	0	111.6	K615 T616 F617 F621 G622 M623 S662	K615-H619 VanDerWaalsContact O-CB 3.25Å; K615-H619 WeakPolarHBondContact O-CB 3.03Å; K615-H619 PolarHBondContact O-N 2.92Å; T616-H619 PolarHBondContact O-N 3.45Å; F617-H619 VanDerWaalsContact C-N 3.35Å; F617-H619 PolarHBondContact O-N 3.4Å; H619-F621 VanDerWaalsContact C-N 3.34Å; H619-F621 PolarHBondContact O-N 2.94Å; H619-G622 PolarHBondContact O-N 3.37Å; H619-M623 VanDerWaalsContact O-CG 3.31Å; H619-M623 WeakPolarHBondContact O-CG 3.18Å; H619-M623 PolarHBondContact O-N 2.7Å; H619-S662 PolarHBondContact ND1-OG 3.17Å
620	E	97.1	Very high	95.4	Very high	81 Å²	81	51.1 Å²	51.1	38%	0.379	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-39.8	-179.1	-72.1	-61.5	146	0	0	112.1	L551 T616 F617 M623 K624	L551-E620 HydrophobicContact CD2-CB 3.89Å; T616-E620 HydrophobicContact CG2-CG 4.46Å; T616-E620 WeakPolarHBondContact O-CB 3.27Å; T616-E620 WeakPolarHBondContact O-CG 3.49Å; T616-E620 PolarHBondContact O-N 3.47Å; F617-E620 PolarHBondContact O-N 2.98Å; E620-M623 PolarHBondContact O-N 2.76Å; E620-K624 WeakPolarHBondContact O-CB 3.3Å; E620-K624 WeakPolarHBondContact O-CG 3.4Å; E620-K624 PolarHBondContact O-N 3.33Å
621	F	97.3	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-48.9	173.2	-178.3	-109.1	0	0	0	111.6	L551 A554 I555 I598 I601 F617 H619 M623 K624 L625 F660	L551-F621 VanDerWaalsContact CD1-CA 3.44Å; L551-F621 HydrophobicContact CD1-CB 3.71Å; L551-F621 HydrophobicContact CD1-CD2 3.85Å; L551-F621 HydrophobicContact CD1-CG 4.29Å; A554-F621 HydrophobicContact CB-CD2 4.3Å; A554-F621 HydrophobicContact CB-CE2 3.76Å; I555-F621 HydrophobicContact CD1-CD2 4Å; I555-F621 HydrophobicContact CD1-CE2 3.89Å; I555-F621 HydrophobicContact CG1-CD2 4.44Å; I555-F621 HydrophobicContact CG1-CE2 4.47Å; I598-F621 HydrophobicContact CG1-CE1 4.25Å; I598-F621 HydrophobicContact CG1-CZ 4.11Å; I598-F621 HydrophobicContact CG2-CE1 4.11Å; I601-F621 HydrophobicContact CD1-CE2 4.09Å; I601-F621 HydrophobicContact CD1-CZ 3.8Å; F617-F621 HydrophobicContact CE1-CB 4.43Å; F617-F621 VanDerWaalsContact O-CB 3.25Å; F617-F621 WeakPolarHBondContact O-CB 3.42Å; F617-F621 PolarHBondContact O-N 3.5Å; H619-F621 VanDerWaalsContact C-N 3.34Å; H619-F621 PolarHBondContact O-N 2.94Å; F621-M623 PolarHBondContact O-N 2.9Å; F621-K624 PolarHBondContact O-N 2.96Å; F621-L625 HydrophobicContact CE1-CD2 4.29Å; F621-L625 WeakPolarHBondContact O-CB 3.36Å; F621-L625 PolarHBondContact O-N 3.47Å; F621-F660 HydrophobicContact CD1-CE1 4.06Å; F621-F660 HydrophobicContact CD1-CE2 4.13Å; F621-F660 AromaticContact CD1-CZ 3.69Å; F621-F660 HydrophobicContact CD1-CZ 3.69Å; F621-F660 HydrophobicContact CE1-CE1 4.18Å; F621-F660 HydrophobicContact CE1-CE2 4.37Å; F621-F660 AromaticContact CE1-CZ 3.66Å; F621-F660 HydrophobicContact CE1-CZ 3.66Å
622	G	97.7	Very high	96	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-42.1	177.6	0	0	0	0	0	113.3	L618 H619 L625 N626	L618-G622 PolarHBondContact O-N 2.92Å; H619-G622 PolarHBondContact O-N 3.37Å; G622-L625 PolarHBondContact O-N 3.21Å; G622-N626 WeakPolarHBondContact O-CB 3.37Å; G622-N626 PolarHBondContact O-N 3.33Å
623	M	98.1	Very high	96.3	Very high	62 Å²	62	42.7 Å²	42.7	31%	0.305	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-47.7	177.3	-68.8	-59.4	-64.9	0	0	112.1	H619 E620 F621 L625 N626 R627 T664 V665 V668	H619-M623 VanDerWaalsContact O-CG 3.31Å; H619-M623 WeakPolarHBondContact O-CG 3.18Å; H619-M623 PolarHBondContact O-N 2.7Å; E620-M623 PolarHBondContact O-N 2.76Å; F621-M623 PolarHBondContact O-N 2.9Å; M623-L625 VanDerWaalsContact C-N 3.34Å; M623-L625 PolarHBondContact O-N 2.83Å; M623-N626 PolarHBondContact O-N 3.44Å; M623-R627 PolarHBondContact O-N 2.97Å; M623-R627 VanDerWaalsContact O-N 3.14Å; M623-T664 HydrophobicContact CE-CG2 4.47Å; M623-T664 HydrophobicContact SD-CG2 4.02Å; M623-V665 HydrophobicContact CG-CG2 4.12Å; M623-V665 HydrophobicContact SD-CG2 4.12Å; M623-V668 HydrophobicContact CE-CG1 4.18Å; M623-V668 HydrophobicContact SD-CG1 4.27Å; M623-V668 HydrophobicContact SD-CG2 4Å
624	K	97.6	Very high	96.6	Very high	58 Å²	58	42.7 Å²	42.7	25%	0.252	20%	0.198	S	C	.	.	H	α-helix	trans	-66.5	-35.2	177.1	-73	-175.6	179.5	179.3	0	112.2	L551 N552 I555 E620 F621 T628	L551-K624 HydrophobicContact CD1-CD 4.16Å; L551-K624 HydrophobicContact CD2-CD 3.86Å; L551-K624 VanDerWaalsContact CD2-NZ 3.28Å; L551-K624 HydrophobicContact CG-CD 3.9Å; N552-K624 PolarHBondContact OD1-NZ 3.21Å; I555-K624 HydrophobicContact CD1-CB 3.65Å; I555-K624 HydrophobicContact CG1-CB 3.82Å; I555-K624 HydrophobicContact CG1-CD 4.32Å; E620-K624 WeakPolarHBondContact O-CB 3.3Å; E620-K624 WeakPolarHBondContact O-CG 3.4Å; E620-K624 PolarHBondContact O-N 3.33Å; F621-K624 PolarHBondContact O-N 2.96Å; K624-T628 WeakPolarHBondContact O-CB 3.48Å; K624-T628 PolarHBondContact O-N 3.45Å; K624-T628 PolarHBondContact O-OG1 3.34Å
625	L	98	Very high	96.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-50.6	175.5	175.1	65	0	0	0	110.7	I555 V558 I598 F621 G622 M623 R627 T628 L629 F660 F669	I555-L625 HydrophobicContact CD1-CB 4.22Å; V558-L625 HydrophobicContact CG1-CD1 3.83Å; V558-L625 HydrophobicContact CG2-CD1 4.36Å; I598-L625 HydrophobicContact CD1-CD1 3.99Å; I598-L625 HydrophobicContact CD1-CD2 3.56Å; I598-L625 HydrophobicContact CD1-CG 4.43Å; I598-L625 HydrophobicContact CG1-CD2 4.35Å; F621-L625 HydrophobicContact CE1-CD2 4.29Å; F621-L625 WeakPolarHBondContact O-CB 3.36Å; F621-L625 PolarHBondContact O-N 3.47Å; G622-L625 PolarHBondContact O-N 3.21Å; M623-L625 VanDerWaalsContact C-N 3.34Å; M623-L625 PolarHBondContact O-N 2.83Å; L625-R627 VanDerWaalsContact C-N 3.31Å; L625-R627 PolarHBondContact O-N 3.06Å; L625-T628 WeakPolarHBondContact O-CB 3.49Å; L625-T628 PolarHBondContact O-N 3.11Å; L625-T628 VanDerWaalsContact O-N 3.12Å; L625-L629 HydrophobicContact CD1-CD1 4.13Å; L625-L629 HydrophobicContact CD1-CG 4.19Å; L625-L629 HydrophobicContact CG-CD1 4Å; L625-L629 HydrophobicContact CG-CG 4.46Å; L625-L629 WeakPolarHBondContact O-CG 3.36Å; L625-L629 PolarHBondContact O-N 3.24Å; L625-F660 HydrophobicContact CD2-CE2 4.02Å; L625-F660 HydrophobicContact CD2-CZ 4.18Å; L625-F669 HydrophobicContact CD2-CZ 3.97Å; L625-F669 HydrophobicContact CG-CZ 4.1Å
626	N	98.1	Very high	96.6	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.102	20%	0.195	C	C	.	.	H	α-helix	trans	-55.6	-48	177.9	-178	-92.7	0	0	0	111.3	G622 M623 T628 L629 V630 V668 F669	G622-N626 WeakPolarHBondContact O-CB 3.37Å; G622-N626 PolarHBondContact O-N 3.33Å; M623-N626 PolarHBondContact O-N 3.44Å; N626-T628 VanDerWaalsContact C-N 3.35Å; N626-T628 PolarHBondContact O-N 3.25Å; N626-L629 PolarHBondContact O-N 2.92Å; N626-V630 WeakPolarHBondContact O-CG2 3.41Å; N626-V630 PolarHBondContact O-N 2.89Å; N626-V668 HydrophobicContact CB-CG2 3.84Å; N626-V668 VanDerWaalsContact ND2-C 3.33Å; N626-V668 PolarHBondContact ND2-O 3.42Å; N626-V668 VanDerWaalsContact ND2-O 3.07Å; N626-F669 HydrophobicContact CB-CD2 4.19Å; N626-F669 HydrophobicContact CB-CE2 3.7Å; N626-F669 HydrophobicContact CB-CZ 3.97Å
627	R	97.2	Very high	96.5	Very high	174 Å²	174	41.3 Å²	41.3	66%	0.657	20%	0.196	S	C	*	.	H	α-helix	trans	-57.9	-46	175.6	-178.2	175.1	179.8	158.1	1.4	112.3	M623 L625 L629 V630 D631	M623-R627 PolarHBondContact O-N 2.97Å; M623-R627 VanDerWaalsContact O-N 3.14Å; L625-R627 VanDerWaalsContact C-N 3.31Å; L625-R627 PolarHBondContact O-N 3.06Å; R627-L629 VanDerWaalsContact C-N 3.31Å; R627-L629 PolarHBondContact O-N 3.17Å; R627-V630 PolarHBondContact O-N 2.98Å; R627-D631 WeakPolarHBondContact O-CB 3.45Å; R627-D631 VanDerWaalsContact O-CG 3.3Å; R627-D631 PolarHBondContact O-N 3.11Å
628	T	97.4	Very high	96.4	Very high	11 Å²	11	40.9 Å²	40.9	7%	0.067	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-40.7	177.9	-64.7	0	0	0	0	112.2	I555 V558 Q559 L562 K624 L625 N626 H632	I555-T628 WeakPolarHBondContact CG2-OG1 3.45Å; V558-T628 HydrophobicContact CG1-CG2 4.32Å; Q559-T628 HydrophobicContact CG-CG2 3.4Å; L562-T628 HydrophobicContact CD1-CG2 4.31Å; K624-T628 WeakPolarHBondContact O-CB 3.48Å; K624-T628 PolarHBondContact O-N 3.45Å; K624-T628 PolarHBondContact O-OG1 3.34Å; L625-T628 WeakPolarHBondContact O-CB 3.49Å; L625-T628 PolarHBondContact O-N 3.11Å; L625-T628 VanDerWaalsContact O-N 3.12Å; N626-T628 VanDerWaalsContact C-N 3.35Å; N626-T628 PolarHBondContact O-N 3.25Å; T628-H632 VanDerWaalsContact O-CB 3.3Å; T628-H632 WeakPolarHBondContact O-CB 3.32Å; T628-H632 PolarHBondContact O-N 3.36Å
629	L	97.5	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.9	-44.5	177.1	-67.1	168.5	0	0	0	111.4	L562 L625 N626 R627 H632 F633 Y653 F669 L672	L562-L629 HydrophobicContact CD1-CD2 3.86Å; L562-L629 HydrophobicContact CD2-CD2 4.38Å; L625-L629 HydrophobicContact CD1-CD1 4.13Å; L625-L629 HydrophobicContact CD1-CG 4.19Å; L625-L629 HydrophobicContact CG-CD1 4Å; L625-L629 HydrophobicContact CG-CG 4.46Å; L625-L629 WeakPolarHBondContact O-CG 3.36Å; L625-L629 PolarHBondContact O-N 3.24Å; N626-L629 PolarHBondContact O-N 2.92Å; R627-L629 VanDerWaalsContact C-N 3.31Å; R627-L629 PolarHBondContact O-N 3.17Å; L629-H632 WeakPolarHBondContact O-CB 3.27Å; L629-H632 PolarHBondContact O-N 3.01Å; L629-F633 HydrophobicContact CB-CD2 4.49Å; L629-F633 HydrophobicContact CB-CE2 4.29Å; L629-F633 WeakPolarHBondContact O-CD2 3.33Å; L629-F633 PolarHBondContact O-N 3.47Å; L629-Y653 HydrophobicContact CD1-CD1 4.36Å; L629-Y653 HydrophobicContact CD1-CD2 3.92Å; L629-Y653 HydrophobicContact CD1-CG 3.84Å; L629-Y653 HydrophobicContact CD2-CD1 4.46Å; L629-Y653 HydrophobicContact CD2-CD2 3.87Å; L629-Y653 HydrophobicContact CD2-CE1 4.24Å; L629-Y653 HydrophobicContact CD2-CE2 3.6Å; L629-Y653 HydrophobicContact CD2-CG 4.3Å; L629-F669 HydrophobicContact CD1-CE1 3.69Å; L629-F669 HydrophobicContact CD1-CZ 4.03Å; L629-L672 HydrophobicContact CB-CD2 4.15Å
630	V	96	Very high	95.4	Very high	23 Å²	23	43.9 Å²	43.9	14%	0.139	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-50.6	175.5	170.6	0	0	0	0	110.6	N626 R627 H632 F633 Y634 L672 F706	N626-V630 WeakPolarHBondContact O-CG2 3.41Å; N626-V630 PolarHBondContact O-N 2.89Å; R627-V630 PolarHBondContact O-N 2.98Å; V630-H632 VanDerWaalsContact C-N 3.28Å; V630-H632 PolarHBondContact O-N 3.27Å; V630-F633 PolarHBondContact O-N 3.12Å; V630-Y634 HydrophobicContact CG1-CD2 3.87Å; V630-Y634 HydrophobicContact CG1-CE2 3.56Å; V630-Y634 VanDerWaalsContact O-CD2 3.25Å; V630-Y634 WeakPolarHBondContact O-CD2 3.25Å; V630-Y634 PolarHBondContact O-N 3.1Å; V630-Y634 VanDerWaalsContact O-N 3.11Å; V630-L672 HydrophobicContact CG2-CD1 3.95Å; V630-F706 HydrophobicContact CG1-CE2 4.23Å; V630-F706 HydrophobicContact CG1-CZ 4.26Å
631	D	95.9	Very high	94.8	Very high	81 Å²	81	42.5 Å²	42.5	43%	0.433	21%	0.211	S	C	.	.	H	α-helix	trans	-61.4	-37.1	178.1	-69.1	-20	0	0	0	111.5	R627 N635	R627-D631 WeakPolarHBondContact O-CB 3.45Å; R627-D631 VanDerWaalsContact O-CG 3.3Å; R627-D631 PolarHBondContact O-N 3.11Å; D631-N635 PolarHBondContact O-ND2 2.95Å
632	H	96.1	Very high	94.4	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.102	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-49.4	174.8	-180	72.3	0	0	0	111.9	L562 T628 L629 V630 Y634 N635 F636	L562-H632 HydrophobicContact CD1-CB 4.16Å; L562-H632 PolarHBondContact O-CE1 3.33Å; L562-H632 VanDerWaalsContact O-CE1 3.26Å; T628-H632 VanDerWaalsContact O-CB 3.3Å; T628-H632 WeakPolarHBondContact O-CB 3.32Å; T628-H632 PolarHBondContact O-N 3.36Å; L629-H632 WeakPolarHBondContact O-CB 3.27Å; L629-H632 PolarHBondContact O-N 3.01Å; V630-H632 VanDerWaalsContact C-N 3.28Å; V630-H632 PolarHBondContact O-N 3.27Å; H632-Y634 VanDerWaalsContact C-N 3.27Å; H632-Y634 PolarHBondContact O-N 2.86Å; H632-N635 WeakPolarHBondContact O-CB 3.37Å; H632-N635 PolarHBondContact O-N 3.48Å; H632-N635 PolarHBondContact O-ND2 3.05Å; H632-F636 AromaticContact CD2-CE2 3.9Å; H632-F636 AromaticContact CE1-CE2 3.39Å; H632-F636 WeakPolarHBondContact CE1-CE2 3.49Å; H632-F636 AromaticContact CE1-CZ 3.71Å; H632-F636 AromaticContact ND1-CE2 3.93Å; H632-F636 AromaticContact NE2-CE2 3.35Å; H632-F636 VanDerWaalsContact NE2-CE2 3.35Å; H632-F636 WeakPolarHBondContact NE2-CE2 3.47Å; H632-F636 AromaticContact NE2-CZ 3.71Å; H632-F636 VanDerWaalsContact O-CD2 3.29Å; H632-F636 WeakPolarHBondContact O-CD2 3.35Å
633	F	95.8	Very high	94	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-30.7	-179.2	-74.7	-58.3	0	0	0	113.2	F571 L629 V630 N635 F636 F638 V650 Y653 L672 M676	F571-F633 HydrophobicContact CE2-CD1 4.04Å; F571-F633 AromaticContact CE2-CE1 3.89Å; F571-F633 HydrophobicContact CE2-CE1 3.89Å; F571-F633 HydrophobicContact CZ-CD1 4.37Å; F571-F633 AromaticContact CZ-CE1 3.76Å; F571-F633 HydrophobicContact CZ-CE1 3.76Å; L629-F633 HydrophobicContact CB-CD2 4.49Å; L629-F633 HydrophobicContact CB-CE2 4.29Å; L629-F633 WeakPolarHBondContact O-CD2 3.33Å; L629-F633 PolarHBondContact O-N 3.47Å; V630-F633 PolarHBondContact O-N 3.12Å; F633-N635 PolarHBondContact O-N 3.5Å; F633-N635 VanDerWaalsContact O-N 3.11Å; F633-F636 PolarHBondContact O-N 2.84Å; F633-F636 VanDerWaalsContact O-N 3.1Å; F633-F638 HydrophobicContact CB-CZ 4.34Å; F633-F638 HydrophobicContact CD1-CE1 4.27Å; F633-F638 AromaticContact CD1-CZ 3.97Å; F633-F638 HydrophobicContact CD1-CZ 3.97Å; F633-V650 HydrophobicContact CE2-CG2 3.65Å; F633-V650 HydrophobicContact CZ-CG2 3.63Å; F633-Y653 HydrophobicContact CZ-CE2 4.36Å; F633-L672 HydrophobicContact CD2-CD1 4.16Å; F633-L672 HydrophobicContact CE2-CD1 4.44Å; F633-L672 HydrophobicContact CE2-CD2 4.43Å; F633-M676 HydrophobicContact CB-CE 4.3Å; F633-M676 HydrophobicContact CD1-CE 3.62Å; F633-M676 HydrophobicContact CD2-CE 3.92Å; F633-M676 HydrophobicContact CE1-CE 3.81Å; F633-M676 HydrophobicContact CE2-CE 4.11Å; F633-M676 HydrophobicContact CG-CE 3.69Å; F633-M676 HydrophobicContact CZ-CE 4.05Å
634	Y	95.1	Very high	93.7	Very high	70 Å²	70	45.4 Å²	45.4	28%	0.275	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.4	173.5	-87.3	-59.2	0	0	0	114.2	V630 H632 F636 N705 F706 L709	V630-Y634 HydrophobicContact CG1-CD2 3.87Å; V630-Y634 HydrophobicContact CG1-CE2 3.56Å; V630-Y634 VanDerWaalsContact O-CD2 3.25Å; V630-Y634 WeakPolarHBondContact O-CD2 3.25Å; V630-Y634 PolarHBondContact O-N 3.1Å; V630-Y634 VanDerWaalsContact O-N 3.11Å; H632-Y634 VanDerWaalsContact C-N 3.27Å; H632-Y634 PolarHBondContact O-N 2.86Å; Y634-F636 VanDerWaalsContact C-N 3.3Å; Y634-N705 HydrophobicContact CE1-CB 3.85Å; Y634-N705 WeakPolarHBondContact OH-CB 3.47Å; Y634-F706 AromaticContact CE1-CD2 3.98Å; Y634-F706 HydrophobicContact CE1-CD2 3.98Å; Y634-F706 AromaticContact CE1-CE2 4Å; Y634-F706 HydrophobicContact CE1-CE2 4Å; Y634-F706 HydrophobicContact CE2-CD2 4.46Å; Y634-F706 AromaticContact CE2-CE2 3.76Å; Y634-F706 HydrophobicContact CE2-CE2 3.76Å; Y634-F706 HydrophobicContact CE2-CZ 4.44Å; Y634-F706 AromaticContact CZ-CD2 3.69Å; Y634-F706 AromaticContact CZ-CE2 3.43Å; Y634-F706 VanDerWaalsContact CZ-CE2 3.43Å; Y634-F706 WeakPolarHBondContact OH-CD2 3.45Å; Y634-F706 WeakPolarHBondContact OH-CE2 3.38Å; Y634-L709 HydrophobicContact CD1-CD1 3.86Å; Y634-L709 HydrophobicContact CD1-CD2 4.27Å; Y634-L709 HydrophobicContact CD1-CG 4.48Å; Y634-L709 HydrophobicContact CE1-CD1 4.25Å
635	N	94.2	Very high	93.4	Very high	115 Å²	115	44.2 Å²	44.2	62%	0.615	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	1.2	177.8	-62.6	-59.3	0	0	0	114.1	D631 H632 F633	D631-N635 PolarHBondContact O-ND2 2.95Å; H632-N635 WeakPolarHBondContact O-CB 3.37Å; H632-N635 PolarHBondContact O-N 3.48Å; H632-N635 PolarHBondContact O-ND2 3.05Å; F633-N635 PolarHBondContact O-N 3.5Å; F633-N635 VanDerWaalsContact O-N 3.11Å
636	F	94.6	Very high	93.1	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.066	22%	0.219	C	C	.	.			trans	-118	159.4	-176	-66.7	-97	0	0	0	112.5	Q566 K568 F571 H632 F633 Y634 F638	Q566-F636 HydrophobicContact CB-CZ 4.16Å; Q566-F636 HydrophobicContact CG-CE1 4.1Å; Q566-F636 HydrophobicContact CG-CZ 3.81Å; K568-F636 HydrophobicContact CG-CD1 4.24Å; K568-F636 HydrophobicContact CG-CE1 4.13Å; F571-F636 HydrophobicContact CD2-CB 3.87Å; F571-F636 AromaticContact CD2-CD1 3.53Å; F571-F636 HydrophobicContact CD2-CD1 3.53Å; F571-F636 HydrophobicContact CD2-CD2 4.32Å; F571-F636 HydrophobicContact CD2-CE1 4.11Å; F571-F636 AromaticContact CD2-CG 3.65Å; F571-F636 HydrophobicContact CD2-CG 3.65Å; F571-F636 HydrophobicContact CE2-CD1 4.14Å; F571-F636 HydrophobicContact CE2-CD2 4.35Å; F571-F636 HydrophobicContact CE2-CE1 4.37Å; F571-F636 HydrophobicContact CE2-CG 4.12Å; H632-F636 AromaticContact CD2-CE2 3.9Å; H632-F636 AromaticContact CE1-CE2 3.39Å; H632-F636 WeakPolarHBondContact CE1-CE2 3.49Å; H632-F636 AromaticContact CE1-CZ 3.71Å; H632-F636 AromaticContact ND1-CE2 3.93Å; H632-F636 AromaticContact NE2-CE2 3.35Å; H632-F636 VanDerWaalsContact NE2-CE2 3.35Å; H632-F636 WeakPolarHBondContact NE2-CE2 3.47Å; H632-F636 AromaticContact NE2-CZ 3.71Å; H632-F636 VanDerWaalsContact O-CD2 3.29Å; H632-F636 WeakPolarHBondContact O-CD2 3.35Å; F633-F636 PolarHBondContact O-N 2.84Å; F633-F636 VanDerWaalsContact O-N 3.1Å; Y634-F636 VanDerWaalsContact C-N 3.3Å; F636-F638 HydrophobicContact CB-CE1 4.42Å; F636-F638 HydrophobicContact CB-CE2 4.23Å; F636-F638 HydrophobicContact CB-CZ 3.93Å
637	T	93.1	Very high	92.9	Very high	67 Å²	67	44.2 Å²	44.2	41%	0.411	22%	0.219	S	C	.	.			trans	-119.6	138.4	168.4	60.1	0	0	0	0	109	L709	T637-L709 CarbonylContact C-O 3.55Å; T637-L709 WeakPolarHBondContact CA-O 3.26Å
638	F	93	Very high	92.7	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.013	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-110.3	125.3	-169.3	-56.2	-91.2	0	0	0	111.3	F571 F633 F636 A646 M676 M679 L709 T711	F571-F638 HydrophobicContact CB-CD1 3.74Å; F571-F638 HydrophobicContact CB-CE1 3.95Å; F571-F638 HydrophobicContact CD1-CE1 4.32Å; F571-F638 HydrophobicContact CD2-CD1 4.29Å; F571-F638 AromaticContact CD2-CE1 3.61Å; F571-F638 HydrophobicContact CD2-CE1 3.61Å; F571-F638 HydrophobicContact CD2-CZ 4.29Å; F571-F638 HydrophobicContact CE2-CE1 4.17Å; F571-F638 AromaticContact CG-CD1 3.96Å; F571-F638 HydrophobicContact CG-CD1 3.96Å; F571-F638 AromaticContact CG-CE1 3.71Å; F571-F638 HydrophobicContact CG-CE1 3.71Å; F571-F638 WeakPolarHBondContact O-CA 3.44Å; F633-F638 HydrophobicContact CB-CZ 4.34Å; F633-F638 HydrophobicContact CD1-CE1 4.27Å; F633-F638 AromaticContact CD1-CZ 3.97Å; F633-F638 HydrophobicContact CD1-CZ 3.97Å; F636-F638 HydrophobicContact CB-CE1 4.42Å; F636-F638 HydrophobicContact CB-CE2 4.23Å; F636-F638 HydrophobicContact CB-CZ 3.93Å; F638-A646 HydrophobicContact CD1-CB 3.86Å; F638-A646 HydrophobicContact CE1-CB 3.67Å; F638-M676 HydrophobicContact CD1-SD 4.45Å; F638-M676 HydrophobicContact CE1-CE 4.25Å; F638-M676 HydrophobicContact CE1-SD 4.11Å; F638-M676 HydrophobicContact CZ-CE 4.16Å; F638-M676 HydrophobicContact CZ-SD 4.42Å; F638-M679 HydrophobicContact CB-CB 4.29Å; F638-M679 HydrophobicContact CB-CG 4.05Å; F638-M679 HydrophobicContact CB-SD 3.97Å; F638-M679 HydrophobicContact CD1-CG 4.45Å; F638-M679 HydrophobicContact CD2-CG 4.14Å; F638-M679 HydrophobicContact CD2-SD 3.76Å; F638-M679 HydrophobicContact CG-CG 3.95Å; F638-M679 HydrophobicContact CG-SD 4.02Å; F638-L709 HydrophobicContact CD2-CB 3.78Å; F638-L709 HydrophobicContact CE2-CB 3.9Å; F638-L709 HydrophobicContact CE2-CD1 3.98Å; F638-L709 PolarHBondContact N-O 3.35Å; F638-T711 WeakPolarHBondContact O-CG2 3.22Å; F638-T711 PolarHBondContact O-N 3.2Å; F638-T711 PolarHBondContact O-OG1 3.42Å
639	S	90.1	Very high	92.6	Very high	18 Å²	18	38.1 Å²	38.1	13%	0.126	20%	0.197	C	C	.	.			trans	-83.2	166.6	162.6	67.5	0	0	0	0	110.7	F571 T641 G642 G643	F571-S639 PolarHBondContact O-N 2.98Å; F571-S639 VanDerWaalsContact O-N 3.07Å; S639-T641 VanDerWaalsContact C-N 3.25Å; S639-T641 PolarHBondContact O-N 2.87Å; S639-T641 PolarHBondContact OG-OG1 3.43Å; S639-T641 VanDerWaalsContact OG-OG1 3.08Å; S639-G642 PolarHBondContact O-N 3.46Å; S639-G642 PolarHBondContact OG-N 3.08Å; S639-G642 VanDerWaalsContact OG-N 3.09Å; S639-G643 PolarHBondContact O-N 3.46Å
640	D	83.7	Confident	92.5	Very high	100 Å²	100	38.1 Å²	38.1	54%	0.535	20%	0.197	S	C	.	.	H	α-helix	trans	-53.9	-43.9	176.5	-62.2	-22.5	0	0	0	111.9	F644	D640-F644 WeakPolarHBondContact O-CD2 3.48Å
641	T	85	Confident	92.5	Very high	53 Å²	53	39.4 Å²	39.4	33%	0.325	21%	0.205	S	C	.	.	H	α-helix	trans	-70.2	-42.7	177.6	45.9	0	0	0	0	112.9	P573 I581 S639 G643 F644	P573-T641 VanDerWaalsContact CG-OG1 3.24Å; P573-T641 WeakPolarHBondContact CG-OG1 3.25Å; I581-T641 HydrophobicContact CD1-CG2 3.56Å; I581-T641 HydrophobicContact CG1-CG2 4.03Å; S639-T641 VanDerWaalsContact C-N 3.25Å; S639-T641 PolarHBondContact O-N 2.87Å; S639-T641 PolarHBondContact OG-OG1 3.43Å; S639-T641 VanDerWaalsContact OG-OG1 3.08Å; T641-G643 VanDerWaalsContact C-N 3.29Å; T641-G643 PolarHBondContact O-N 3.02Å; T641-F644 PolarHBondContact O-N 3.17Å
642	G	88.3	Confident	92.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-26.1	177.9	0	0	0	0	0	113.5	F571 S639 F644 V645 A646	F571-G642 WeakPolarHBondContact O-CA 3.34Å; S639-G642 PolarHBondContact O-N 3.46Å; S639-G642 PolarHBondContact OG-N 3.08Å; S639-G642 VanDerWaalsContact OG-N 3.09Å; G642-F644 PolarHBondContact O-N 3.09Å; G642-V645 PolarHBondContact O-N 3Å; G642-A646 PolarHBondContact O-N 3.45Å
643	G	90.4	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-33.1	171.1	0	0	0	0	0	112.7	S639 T641 M647 L680	S639-G643 PolarHBondContact O-N 3.46Å; T641-G643 VanDerWaalsContact C-N 3.29Å; T641-G643 PolarHBondContact O-N 3.02Å; G643-M647 WeakPolarHBondContact O-CB 3.42Å; G643-M647 PolarHBondContact O-N 3.38Å; G643-L680 VanDerWaalsContact C-CD2 3.4Å
644	F	90.6	Very high	92.7	Very high	123 Å²	123	38.6 Å²	38.6	54%	0.539	20%	0.2	S	C	.	.	H	α-helix	trans	-67.7	-41.6	176.2	-76.1	-79.9	0	0	0	111.8	D640 T641 G642 M647 Q648 L680	D640-F644 WeakPolarHBondContact O-CD2 3.48Å; T641-F644 PolarHBondContact O-N 3.17Å; G642-F644 PolarHBondContact O-N 3.09Å; F644-M647 PolarHBondContact O-N 3.39Å; F644-Q648 WeakPolarHBondContact O-CG 3.24Å; F644-Q648 PolarHBondContact O-N 2.91Å; F644-L680 HydrophobicContact CB-CD2 4.4Å; F644-L680 HydrophobicContact CD1-CD1 4.35Å; F644-L680 HydrophobicContact CD1-CD2 3.89Å; F644-L680 HydrophobicContact CD2-CD2 3.82Å; F644-L680 HydrophobicContact CE1-CD1 4.45Å; F644-L680 HydrophobicContact CE1-CD2 4.06Å; F644-L680 HydrophobicContact CE2-CD2 3.99Å; F644-L680 HydrophobicContact CG-CD2 3.77Å; F644-L680 HydrophobicContact CZ-CD2 4.11Å
645	V	90.7	Very high	92.7	Very high	32 Å²	32	39 Å²	39	19%	0.194	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-46.1	175.9	-177.9	0	0	0	0	110.1	F571 G642 M647 Q648 D649	F571-V645 HydrophobicContact CD1-CB 4.45Å; F571-V645 HydrophobicContact CD1-CG1 4.47Å; F571-V645 HydrophobicContact CE1-CG1 4.22Å; G642-V645 PolarHBondContact O-N 3Å; V645-M647 VanDerWaalsContact C-N 3.27Å; V645-M647 PolarHBondContact O-N 2.9Å; V645-Q648 WeakPolarHBondContact O-CB 3.36Å; V645-Q648 PolarHBondContact O-N 2.7Å; V645-Q648 VanDerWaalsContact O-N 3.09Å; V645-D649 PolarHBondContact O-N 2.87Å
646	A	92.5	Very high	92.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-36.6	177.1	0	0	0	0	0	112.4	F571 F638 G642 D649 V650 M676	F571-A646 HydrophobicContact CD1-CB 3.77Å; F571-A646 HydrophobicContact CE1-CB 3.68Å; F571-A646 HydrophobicContact CG-CB 4.43Å; F571-A646 HydrophobicContact CZ-CB 4.25Å; F638-A646 HydrophobicContact CD1-CB 3.86Å; F638-A646 HydrophobicContact CE1-CB 3.67Å; G642-A646 PolarHBondContact O-N 3.45Å; A646-D649 PolarHBondContact O-N 3.3Å; A646-V650 WeakPolarHBondContact O-CG2 3.44Å; A646-V650 PolarHBondContact O-N 3.32Å; A646-M676 HydrophobicContact CB-CE 4.18Å; A646-M676 HydrophobicContact CB-CG 4.1Å; A646-M676 HydrophobicContact CB-SD 3.48Å; A646-M676 WeakPolarHBondContact CB-SD 3.34Å
647	M	93.5	Very high	92.9	Very high	20 Å²	20	33.5 Å²	33.5	10%	0.099	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-39.9	173.9	-179.5	56.1	74	0	0	112.4	G643 F644 V645 V650 T651 F673 M676 N677 L680	G643-M647 WeakPolarHBondContact O-CB 3.42Å; G643-M647 PolarHBondContact O-N 3.38Å; F644-M647 PolarHBondContact O-N 3.39Å; V645-M647 VanDerWaalsContact C-N 3.27Å; V645-M647 PolarHBondContact O-N 2.9Å; M647-V650 PolarHBondContact O-N 3.26Å; M647-T651 WeakPolarHBondContact O-CB 3.38Å; M647-T651 PolarHBondContact O-N 2.77Å; M647-T651 PolarHBondContact O-OG1 2.75Å; M647-F673 HydrophobicContact CE-CZ 4.47Å; M647-F673 HydrophobicContact SD-CD2 3.8Å; M647-F673 HydrophobicContact SD-CE2 3.38Å; M647-F673 WeakPolarHBondContact SD-CE2 3.42Å; M647-F673 HydrophobicContact SD-CZ 3.79Å; M647-M676 HydrophobicContact CE-CB 4.22Å; M647-M676 HydrophobicContact CE-CG 4.41Å; M647-N677 HydrophobicContact CE-CB 3.58Å; M647-L680 HydrophobicContact CB-CD1 3.85Å; M647-L680 HydrophobicContact CE-CD1 3.9Å; M647-L680 HydrophobicContact CG-CD1 3.88Å
648	Q	92.6	Very high	93.1	Very high	56 Å²	56	34.3 Å²	34.3	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-63.6	-42.2	174.7	-70.4	174.3	-28.1	0	0	111.6	N585 F644 V645 T651 A652	N585-Q648 PolarHBondContact O-NE2 2.72Å; N585-Q648 PolarHBondContact O-OE1 2.83Å; F644-Q648 WeakPolarHBondContact O-CG 3.24Å; F644-Q648 PolarHBondContact O-N 2.91Å; V645-Q648 WeakPolarHBondContact O-CB 3.36Å; V645-Q648 PolarHBondContact O-N 2.7Å; V645-Q648 VanDerWaalsContact O-N 3.09Å; Q648-T651 PolarHBondContact O-N 2.71Å; Q648-A652 PolarHBondContact O-N 3.07Å
649	D	95.3	Very high	93.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-50.1	175.7	-70.3	1.6	0	0	0	111.3	P587 S588 C591 V645 A646 T651 A652 Y653	P587-D649 WeakPolarHBondContact CA-OD1 3.4Å; P587-D649 WeakPolarHBondContact CB-OD1 3.27Å; S588-D649 VanDerWaalsContact CB-OD2 3.3Å; S588-D649 WeakPolarHBondContact CB-OD2 3.43Å; S588-D649 PolarHBondContact N-OD1 3Å; S588-D649 PolarHBondContact OG-OD1 3.23Å; S588-D649 PolarHBondContact OG-OD2 3.09Å; C591-D649 HydrophobicContact CB-CB 4.03Å; C591-D649 WeakPolarHBondContact CB-OD1 3.49Å; V645-D649 PolarHBondContact O-N 2.87Å; A646-D649 PolarHBondContact O-N 3.3Å; D649-T651 VanDerWaalsContact C-N 3.28Å; D649-T651 PolarHBondContact O-N 3.1Å; D649-A652 PolarHBondContact O-N 3Å; D649-A652 VanDerWaalsContact O-N 3.17Å; D649-Y653 HydrophobicContact CB-CD2 4.47Å; D649-Y653 HydrophobicContact CB-CE2 4.06Å; D649-Y653 WeakPolarHBondContact O-CD2 2.89Å; D649-Y653 PolarHBondContact O-N 3.09Å
650	V	96.4	Very high	93.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-36.2	178.5	172.8	0	0	0	0	111.6	F633 A646 M647 R654 L672 F673 M676	F633-V650 HydrophobicContact CE2-CG2 3.65Å; F633-V650 HydrophobicContact CZ-CG2 3.63Å; A646-V650 WeakPolarHBondContact O-CG2 3.44Å; A646-V650 PolarHBondContact O-N 3.32Å; M647-V650 PolarHBondContact O-N 3.26Å; V650-R654 WeakPolarHBondContact O-CB 3.35Å; V650-R654 PolarHBondContact O-N 3.32Å; V650-L672 HydrophobicContact CG1-CD2 4.47Å; V650-L672 HydrophobicContact CG1-CG 3.98Å; V650-L672 HydrophobicContact CG2-CG 4.28Å; V650-F673 HydrophobicContact CG1-CB 4.1Å; V650-F673 HydrophobicContact CG1-CD2 4.33Å; V650-M676 HydrophobicContact CB-CB 4.35Å; V650-M676 HydrophobicContact CB-CG 4.39Å; V650-M676 HydrophobicContact CG1-CB 4.43Å; V650-M676 HydrophobicContact CG2-CB 3.97Å; V650-M676 HydrophobicContact CG2-CE 3.95Å; V650-M676 HydrophobicContact CG2-CG 3.87Å
651	T	96	Very high	93.8	Very high	49 Å²	49	40.9 Å²	40.9	30%	0.301	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-47.3	173.7	-57.3	0	0	0	0	110.7	M647 Q648 D649 Y653 R654 E655	M647-T651 WeakPolarHBondContact O-CB 3.38Å; M647-T651 PolarHBondContact O-N 2.77Å; M647-T651 PolarHBondContact O-OG1 2.75Å; Q648-T651 PolarHBondContact O-N 2.71Å; D649-T651 VanDerWaalsContact C-N 3.28Å; D649-T651 PolarHBondContact O-N 3.1Å; T651-Y653 PolarHBondContact O-N 3.05Å; T651-R654 PolarHBondContact O-N 2.92Å; T651-E655 WeakPolarHBondContact O-CG 3.36Å; T651-E655 PolarHBondContact O-N 3.33Å
652	A	96	Very high	94.4	Very high	24 Å²	24	38.9 Å²	38.9	20%	0.198	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-43.5	178.3	0	0	0	0	0	112.3	P587 V595 Q648 D649 R654 E655 I656	P587-A652 HydrophobicContact CG-CB 4.09Å; V595-A652 HydrophobicContact CG2-CB 4.2Å; Q648-A652 PolarHBondContact O-N 3.07Å; D649-A652 PolarHBondContact O-N 3Å; D649-A652 VanDerWaalsContact O-N 3.17Å; A652-R654 VanDerWaalsContact C-N 3.33Å; A652-R654 PolarHBondContact O-N 3.35Å; A652-E655 PolarHBondContact O-N 3.37Å; A652-I656 PolarHBondContact O-N 3.25Å; A652-I656 VanDerWaalsContact O-N 3.1Å
653	Y	97.8	Very high	94.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-38.2	174.8	-63.9	-46.5	0	0	0	112.7	L562 C591 V594 V595 L629 F633 D649 T651 I656 A657	L562-Y653 WeakPolarHBondContact CD2-OH 3.33Å; C591-Y653 VanDerWaalsContact CA-OH 3.27Å; C591-Y653 WeakPolarHBondContact CA-OH 3.45Å; C591-Y653 HydrophobicContact CB-CE1 4.36Å; C591-Y653 HydrophobicContact CB-CE2 4.47Å; V594-Y653 HydrophobicContact CB-CE1 3.89Å; V594-Y653 HydrophobicContact CG1-CD1 4.33Å; V594-Y653 HydrophobicContact CG1-CE1 3.52Å; V595-Y653 HydrophobicContact CG2-CD1 3.84Å; V595-Y653 HydrophobicContact CG2-CE1 4Å; L629-Y653 HydrophobicContact CD1-CD1 4.36Å; L629-Y653 HydrophobicContact CD1-CD2 3.92Å; L629-Y653 HydrophobicContact CD1-CG 3.84Å; L629-Y653 HydrophobicContact CD2-CD1 4.46Å; L629-Y653 HydrophobicContact CD2-CD2 3.87Å; L629-Y653 HydrophobicContact CD2-CE1 4.24Å; L629-Y653 HydrophobicContact CD2-CE2 3.6Å; L629-Y653 HydrophobicContact CD2-CG 4.3Å; F633-Y653 HydrophobicContact CZ-CE2 4.36Å; D649-Y653 HydrophobicContact CB-CD2 4.47Å; D649-Y653 HydrophobicContact CB-CE2 4.06Å; D649-Y653 WeakPolarHBondContact O-CD2 2.89Å; D649-Y653 PolarHBondContact O-N 3.09Å; T651-Y653 PolarHBondContact O-N 3.05Å; Y653-I656 VanDerWaalsContact O-CG2 3.25Å; Y653-I656 WeakPolarHBondContact O-CG2 3.24Å; Y653-A657 VanDerWaalsContact O-CB 3.27Å; Y653-A657 WeakPolarHBondContact O-CB 3.36Å; Y653-A657 PolarHBondContact O-N 3.47Å
654	R	97.2	Very high	95.1	Very high	63 Å²	63	47.2 Å²	47.2	24%	0.238	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-41.5	176	177.4	174.9	177.9	-102.8	3.2	112.1	V650 T651 A652 A657 K658 F669 D670	V650-R654 WeakPolarHBondContact O-CB 3.35Å; V650-R654 PolarHBondContact O-N 3.32Å; T651-R654 PolarHBondContact O-N 2.92Å; A652-R654 VanDerWaalsContact C-N 3.33Å; A652-R654 PolarHBondContact O-N 3.35Å; R654-A657 PolarHBondContact O-N 2.73Å; R654-K658 PolarHBondContact O-N 2.72Å; R654-F669 HydrophobicContact CB-CB 4.36Å; R654-F669 HydrophobicContact CB-CD1 4.42Å; R654-F669 HydrophobicContact CG-CB 4.21Å; R654-D670 IonicContact CZ-OD1 2.85Å; R654-D670 IonicContact NE-OD1 3.46Å; R654-D670 PolarHBondContact NE-OD1 3.2Å; R654-D670 IonicContact NH2-OD1 3.56Å; R654-D670 PolarHBondContact NH2-OD1 3.47Å
655	E	96.4	Very high	95.4	Very high	79 Å²	79	41.3 Å²	41.3	37%	0.369	21%	0.214	S	C	.	.	H	α-helix	trans	-65.3	-42.6	177.5	-69.6	-49.4	128.7	0	0	112.2	T651 A652 A657 K658 H659	T651-E655 WeakPolarHBondContact O-CG 3.36Å; T651-E655 PolarHBondContact O-N 3.33Å; A652-E655 PolarHBondContact O-N 3.37Å; E655-A657 VanDerWaalsContact C-N 3.34Å; E655-A657 PolarHBondContact O-N 3.29Å; E655-K658 PolarHBondContact O-N 2.72Å; E655-K658 WeakPolarHBondContact OE1-CE 3.12Å; E655-K658 IonicContact OE1-NZ 2.69Å; E655-K658 PolarHBondContact OE1-NZ 3Å; E655-K658 IonicContact OE2-NZ 2.78Å; E655-K658 PolarHBondContact OE2-NZ 3.25Å; E655-H659 PolarHBondContact O-ND1 2.9Å; E655-H659 VanDerWaalsContact O-ND1 3.11Å
656	I	96.2	Very high	95.7	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-35.5	175.6	-166	63.3	0	0	0	111.5	V595 I598 T599 A652 Y653 K658 H659	V595-I656 HydrophobicContact CG1-CB 4.42Å; V595-I656 HydrophobicContact CG2-CG2 4.42Å; I598-I656 HydrophobicContact CB-CG1 4.23Å; I598-I656 HydrophobicContact CD1-CG2 4.37Å; I598-I656 HydrophobicContact CG2-CB 4.49Å; I598-I656 HydrophobicContact CG2-CG1 3.48Å; I598-I656 VanDerWaalsContact CG2-CG1 3.48Å; I598-I656 HydrophobicContact CG2-CG2 4.16Å; T599-I656 WeakPolarHBondContact OG1-CD1 3.39Å; A652-I656 PolarHBondContact O-N 3.25Å; A652-I656 VanDerWaalsContact O-N 3.1Å; Y653-I656 VanDerWaalsContact O-CG2 3.25Å; Y653-I656 WeakPolarHBondContact O-CG2 3.24Å; I656-K658 PolarHBondContact O-N 3.49Å; I656-H659 WeakPolarHBondContact O-CB 3.5Å; I656-H659 PolarHBondContact O-N 3.05Å; I656-H659 VanDerWaalsContact O-N 3.07Å; I656-H659 PolarHBondContact O-ND1 3.02Å
657	A	96.8	Very high	95.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-26.4	178.5	0	0	0	0	0	114.1	Y653 R654 E655 H659 F660 V665 F669	Y653-A657 VanDerWaalsContact O-CB 3.27Å; Y653-A657 WeakPolarHBondContact O-CB 3.36Å; Y653-A657 PolarHBondContact O-N 3.47Å; R654-A657 PolarHBondContact O-N 2.73Å; E655-A657 VanDerWaalsContact C-N 3.34Å; E655-A657 PolarHBondContact O-N 3.29Å; A657-H659 PolarHBondContact O-N 2.86Å; A657-F660 HydrophobicContact CB-CD2 4.12Å; A657-F660 HydrophobicContact CB-CE2 4.03Å; A657-F660 WeakPolarHBondContact O-CB 3.46Å; A657-F660 WeakPolarHBondContact O-CD2 3.33Å; A657-F660 WeakPolarHBondContact O-CG 3.34Å; A657-F660 PolarHBondContact O-N 3.04Å; A657-F660 VanDerWaalsContact O-N 3.09Å; A657-V665 HydrophobicContact CB-CG1 4.3Å; A657-F669 HydrophobicContact CB-CD1 4.06Å; A657-F669 HydrophobicContact CB-CD2 3.51Å; A657-F669 HydrophobicContact CB-CE1 4.08Å; A657-F669 HydrophobicContact CB-CE2 3.52Å; A657-F669 HydrophobicContact CB-CG 3.79Å; A657-F669 HydrophobicContact CB-CZ 3.81Å
658	K	96	Very high	96	Very high	84 Å²	84	46.9 Å²	46.9	37%	0.365	25%	0.247	S	C	.	.	H	α-helix	trans	-60	-29.9	173.4	-70.3	174.6	-174.1	168.7	0	112.8	R654 E655 I656 F660 E661 N666	R654-K658 PolarHBondContact O-N 2.72Å; E655-K658 PolarHBondContact O-N 2.72Å; E655-K658 WeakPolarHBondContact OE1-CE 3.12Å; E655-K658 IonicContact OE1-NZ 2.69Å; E655-K658 PolarHBondContact OE1-NZ 3Å; E655-K658 IonicContact OE2-NZ 2.78Å; E655-K658 PolarHBondContact OE2-NZ 3.25Å; I656-K658 PolarHBondContact O-N 3.49Å; K658-F660 PolarHBondContact O-N 2.88Å; K658-E661 PolarHBondContact O-N 3.29Å; K658-N666 WeakPolarHBondContact CA-OD1 3.46Å
659	H	94.5	Very high	96.3	Very high	104 Å²	104	44.2 Å²	44.2	48%	0.481	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.2	178.8	-62.3	79.8	0	0	0	113.2	E655 I656 A657 E661	E655-H659 PolarHBondContact O-ND1 2.9Å; E655-H659 VanDerWaalsContact O-ND1 3.11Å; I656-H659 WeakPolarHBondContact O-CB 3.5Å; I656-H659 PolarHBondContact O-N 3.05Å; I656-H659 VanDerWaalsContact O-N 3.07Å; I656-H659 PolarHBondContact O-ND1 3.02Å; A657-H659 PolarHBondContact O-N 2.86Å; H659-E661 PolarHBondContact O-N 3.41Å
660	F	95.7	Very high	96.3	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.022	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-5.5	173.2	-54.5	-26.4	0	0	0	112.9	I598 L618 F621 L625 A657 K658 S662 V665	I598-F660 HydrophobicContact CG2-CE1 3.89Å; I598-F660 HydrophobicContact CG2-CZ 3.6Å; L618-F660 HydrophobicContact CB-CB 4.07Å; L618-F660 HydrophobicContact CD2-CD1 3.96Å; F621-F660 HydrophobicContact CD1-CE1 4.06Å; F621-F660 HydrophobicContact CD1-CE2 4.13Å; F621-F660 AromaticContact CD1-CZ 3.69Å; F621-F660 HydrophobicContact CD1-CZ 3.69Å; F621-F660 HydrophobicContact CE1-CE1 4.18Å; F621-F660 HydrophobicContact CE1-CE2 4.37Å; F621-F660 AromaticContact CE1-CZ 3.66Å; F621-F660 HydrophobicContact CE1-CZ 3.66Å; L625-F660 HydrophobicContact CD2-CE2 4.02Å; L625-F660 HydrophobicContact CD2-CZ 4.18Å; A657-F660 HydrophobicContact CB-CD2 4.12Å; A657-F660 HydrophobicContact CB-CE2 4.03Å; A657-F660 WeakPolarHBondContact O-CB 3.46Å; A657-F660 WeakPolarHBondContact O-CD2 3.33Å; A657-F660 WeakPolarHBondContact O-CG 3.34Å; A657-F660 PolarHBondContact O-N 3.04Å; A657-F660 VanDerWaalsContact O-N 3.09Å; K658-F660 PolarHBondContact O-N 2.88Å; F660-S662 PolarHBondContact O-N 3.36Å; F660-V665 HydrophobicContact CD2-CG1 4.06Å
661	E	93.1	Very high	96.2	Very high	150 Å²	150	48.6 Å²	48.6	70%	0.701	26%	0.259	S	S	*	.			trans	53.1	26.9	176.2	-57.6	-171.7	167.9	0	0	114.5	K658 H659	K658-E661 PolarHBondContact O-N 3.29Å; H659-E661 PolarHBondContact O-N 3.41Å
662	S	96	Very high	96.2	Very high	12 Å²	12	46.3 Å²	46.3	8%	0.084	25%	0.245	C	C	.	.			trans	-109.7	114.5	-178.9	-176.3	0	0	0	0	111.2	H619 F660 T664 V665 N666	H619-S662 PolarHBondContact ND1-OG 3.17Å; F660-S662 PolarHBondContact O-N 3.36Å; S662-T664 VanDerWaalsContact C-N 3.3Å; S662-T664 PolarHBondContact O-N 3.17Å; S662-V665 PolarHBondContact O-N 3.22Å; S662-V665 VanDerWaalsContact O-N 3.1Å; S662-N666 PolarHBondContact O-N 3.32Å
663	P	96.1	Very high	96.2	Very high	98 Å²	98	48.1 Å²	48.1	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-57.5	-41.2	179.2	-26.4	34.6	0	0	0	113.1	V665 N666 V667	P663-V665 VanDerWaalsContact C-N 3.32Å; P663-V665 PolarHBondContact O-N 2.95Å; P663-N666 PolarHBondContact O-N 3.2Å; P663-V667 WeakPolarHBondContact O-CG2 3.1Å; P663-V667 PolarHBondContact O-N 3.38Å
664	T	97	Very high	96.1	Very high	76 Å²	76	51.3 Å²	51.3	47%	0.466	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.5	-50.5	0	0	0	0	111.5	M623 S662 V667 V668	M623-T664 HydrophobicContact CE-CG2 4.47Å; M623-T664 HydrophobicContact SD-CG2 4.02Å; S662-T664 VanDerWaalsContact C-N 3.3Å; S662-T664 PolarHBondContact O-N 3.17Å; T664-V667 PolarHBondContact O-N 3.44Å; T664-V668 PolarHBondContact O-N 3.4Å; T664-V668 VanDerWaalsContact O-N 3.12Å
665	V	97.7	Very high	95.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-45.2	176.6	179.1	0	0	0	0	110.4	M623 A657 F660 S662 P663 V667 V668 F669	M623-V665 HydrophobicContact CG-CG2 4.12Å; M623-V665 HydrophobicContact SD-CG2 4.12Å; A657-V665 HydrophobicContact CB-CG1 4.3Å; F660-V665 HydrophobicContact CD2-CG1 4.06Å; S662-V665 PolarHBondContact O-N 3.22Å; S662-V665 VanDerWaalsContact O-N 3.1Å; P663-V665 VanDerWaalsContact C-N 3.32Å; P663-V665 PolarHBondContact O-N 2.95Å; V665-V667 VanDerWaalsContact C-N 3.27Å; V665-V667 PolarHBondContact O-N 3.22Å; V665-V668 WeakPolarHBondContact O-CG2 3.3Å; V665-V668 PolarHBondContact O-N 2.91Å; V665-F669 HydrophobicContact CG1-CD2 3.58Å; V665-F669 HydrophobicContact CG1-CE2 3.64Å; V665-F669 WeakPolarHBondContact O-CD2 3.48Å; V665-F669 PolarHBondContact O-N 3.45Å
666	N	97.1	Very high	95.9	Very high	50 Å²	50	44.7 Å²	44.7	27%	0.267	23%	0.234	S	C	.	.	H	α-helix	trans	-56.1	-43.3	176.4	-68.2	-24.2	0	0	0	111.8	K658 S662 P663 V668 F669 D670	K658-N666 WeakPolarHBondContact CA-OD1 3.46Å; S662-N666 PolarHBondContact O-N 3.32Å; P663-N666 PolarHBondContact O-N 3.2Å; N666-V668 PolarHBondContact O-N 3.09Å; N666-F669 PolarHBondContact O-N 3.46Å; N666-D670 VanDerWaalsContact O-CG 3.25Å; N666-D670 PolarHBondContact O-N 2.9Å
667	V	96.1	Very high	95.7	Very high	86 Å²	86	46 Å²	46	52%	0.521	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-43.7	177.9	172.3	0	0	0	0	112.1	P663 T664 V665 F669 D670 V671	P663-V667 WeakPolarHBondContact O-CG2 3.1Å; P663-V667 PolarHBondContact O-N 3.38Å; T664-V667 PolarHBondContact O-N 3.44Å; V665-V667 VanDerWaalsContact C-N 3.27Å; V665-V667 PolarHBondContact O-N 3.22Å; V667-F669 VanDerWaalsContact C-N 3.33Å; V667-F669 PolarHBondContact O-N 2.94Å; V667-D670 WeakPolarHBondContact O-CB 3.38Å; V667-D670 PolarHBondContact O-N 2.92Å; V667-V671 WeakPolarHBondContact O-CG2 3.26Å; V667-V671 PolarHBondContact O-N 3.14Å
668	V	96.4	Very high	95.5	Very high	32 Å²	32	46 Å²	46	19%	0.194	24%	0.241	C	C	.	.	H	α-helix	trans	-70.3	-30.4	179.5	-61.4	0	0	0	0	112.6	M623 N626 T664 V665 N666 V671 L672	M623-V668 HydrophobicContact CE-CG1 4.18Å; M623-V668 HydrophobicContact SD-CG1 4.27Å; M623-V668 HydrophobicContact SD-CG2 4Å; N626-V668 HydrophobicContact CB-CG2 3.84Å; N626-V668 VanDerWaalsContact ND2-C 3.33Å; N626-V668 PolarHBondContact ND2-O 3.42Å; N626-V668 VanDerWaalsContact ND2-O 3.07Å; T664-V668 PolarHBondContact O-N 3.4Å; T664-V668 VanDerWaalsContact O-N 3.12Å; V665-V668 WeakPolarHBondContact O-CG2 3.3Å; V665-V668 PolarHBondContact O-N 2.91Å; N666-V668 PolarHBondContact O-N 3.09Å; V668-V671 PolarHBondContact O-N 3.42Å; V668-L672 PolarHBondContact O-N 2.97Å
669	F	97.8	Very high	95.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-73.6	-32.7	171.5	-84.5	-87.5	0	0	0	112.6	L625 N626 L629 R654 A657 V665 N666 V667 V671 L672 F673	L625-F669 HydrophobicContact CD2-CZ 3.97Å; L625-F669 HydrophobicContact CG-CZ 4.1Å; N626-F669 HydrophobicContact CB-CD2 4.19Å; N626-F669 HydrophobicContact CB-CE2 3.7Å; N626-F669 HydrophobicContact CB-CZ 3.97Å; L629-F669 HydrophobicContact CD1-CE1 3.69Å; L629-F669 HydrophobicContact CD1-CZ 4.03Å; R654-F669 HydrophobicContact CB-CB 4.36Å; R654-F669 HydrophobicContact CB-CD1 4.42Å; R654-F669 HydrophobicContact CG-CB 4.21Å; A657-F669 HydrophobicContact CB-CD1 4.06Å; A657-F669 HydrophobicContact CB-CD2 3.51Å; A657-F669 HydrophobicContact CB-CE1 4.08Å; A657-F669 HydrophobicContact CB-CE2 3.52Å; A657-F669 HydrophobicContact CB-CG 3.79Å; A657-F669 HydrophobicContact CB-CZ 3.81Å; V665-F669 HydrophobicContact CG1-CD2 3.58Å; V665-F669 HydrophobicContact CG1-CE2 3.64Å; V665-F669 WeakPolarHBondContact O-CD2 3.48Å; V665-F669 PolarHBondContact O-N 3.45Å; N666-F669 PolarHBondContact O-N 3.46Å; V667-F669 VanDerWaalsContact C-N 3.33Å; V667-F669 PolarHBondContact O-N 2.94Å; F669-V671 VanDerWaalsContact C-N 3.33Å; F669-L672 HydrophobicContact CD1-CD2 4.49Å; F669-L672 PolarHBondContact O-N 3.22Å; F669-F673 WeakPolarHBondContact O-CB 3.47Å; F669-F673 PolarHBondContact O-N 3.25Å
670	D	95.6	Very high	95	Very high	54 Å²	54	39.3 Å²	39.3	29%	0.289	21%	0.213	S	C	.	.	H	α-helix	trans	-63.8	-39.8	169.8	-73.2	-20	0	0	0	111.5	R654 N666 V667 F673 K674	R654-D670 IonicContact CZ-OD1 2.85Å; R654-D670 IonicContact NE-OD1 3.46Å; R654-D670 PolarHBondContact NE-OD1 3.2Å; R654-D670 IonicContact NH2-OD1 3.56Å; R654-D670 PolarHBondContact NH2-OD1 3.47Å; N666-D670 VanDerWaalsContact O-CG 3.25Å; N666-D670 PolarHBondContact O-N 2.9Å; V667-D670 WeakPolarHBondContact O-CB 3.38Å; V667-D670 PolarHBondContact O-N 2.92Å; D670-F673 PolarHBondContact O-N 3.42Å; D670-K674 WeakPolarHBondContact O-CG 3.46Å; D670-K674 PolarHBondContact O-N 2.99Å
671	V	95.3	Very high	94.8	Very high	39 Å²	39	40.5 Å²	40.5	24%	0.236	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-47.8	173.4	168.7	0	0	0	0	110.5	V667 V668 F669 F673 K674 L675 M698 L702	V667-V671 WeakPolarHBondContact O-CG2 3.26Å; V667-V671 PolarHBondContact O-N 3.14Å; V668-V671 PolarHBondContact O-N 3.42Å; F669-V671 VanDerWaalsContact C-N 3.33Å; V671-F673 VanDerWaalsContact C-N 3.3Å; V671-F673 PolarHBondContact O-N 3.28Å; V671-K674 PolarHBondContact O-N 2.93Å; V671-L675 HydrophobicContact CG1-CD1 3.96Å; V671-L675 HydrophobicContact CG1-CG 4.41Å; V671-L675 VanDerWaalsContact O-CG 3.3Å; V671-L675 WeakPolarHBondContact O-CG 3.47Å; V671-L675 PolarHBondContact O-N 2.91Å; V671-M698 HydrophobicContact CB-SD 4.5Å; V671-M698 HydrophobicContact CG1-SD 3.86Å; V671-M698 HydrophobicContact CG2-SD 4.46Å; V671-L702 HydrophobicContact CG1-CD2 4.3Å
672	L	96.1	Very high	94.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-40.3	176.1	178.5	57.4	0	0	0	112.2	L629 V630 F633 V650 V668 F669 L675 M676 F706	L629-L672 HydrophobicContact CB-CD2 4.15Å; V630-L672 HydrophobicContact CG2-CD1 3.95Å; F633-L672 HydrophobicContact CD2-CD1 4.16Å; F633-L672 HydrophobicContact CE2-CD1 4.44Å; F633-L672 HydrophobicContact CE2-CD2 4.43Å; V650-L672 HydrophobicContact CG1-CD2 4.47Å; V650-L672 HydrophobicContact CG1-CG 3.98Å; V650-L672 HydrophobicContact CG2-CG 4.28Å; V668-L672 PolarHBondContact O-N 2.97Å; F669-L672 HydrophobicContact CD1-CD2 4.49Å; F669-L672 PolarHBondContact O-N 3.22Å; L672-L675 PolarHBondContact O-N 3.39Å; L672-M676 PolarHBondContact O-N 3.28Å; L672-F706 HydrophobicContact CD1-CZ 4.4Å
673	F	96.1	Very high	94	Very high	63 Å²	63	41.6 Å²	41.6	28%	0.276	22%	0.224	S	C	.	.	H	α-helix	trans	-60.5	-47.5	174.6	-178	-86.2	0	0	0	112.1	M647 V650 F669 D670 V671 L675 M676 N677	M647-F673 HydrophobicContact CE-CZ 4.47Å; M647-F673 HydrophobicContact SD-CD2 3.8Å; M647-F673 HydrophobicContact SD-CE2 3.38Å; M647-F673 WeakPolarHBondContact SD-CE2 3.42Å; M647-F673 HydrophobicContact SD-CZ 3.79Å; V650-F673 HydrophobicContact CG1-CB 4.1Å; V650-F673 HydrophobicContact CG1-CD2 4.33Å; F669-F673 WeakPolarHBondContact O-CB 3.47Å; F669-F673 PolarHBondContact O-N 3.25Å; D670-F673 PolarHBondContact O-N 3.42Å; V671-F673 VanDerWaalsContact C-N 3.3Å; V671-F673 PolarHBondContact O-N 3.28Å; F673-L675 VanDerWaalsContact C-N 3.33Å; F673-L675 PolarHBondContact O-N 2.84Å; F673-M676 PolarHBondContact O-N 3.27Å; F673-N677 WeakPolarHBondContact O-CB 3.3Å; F673-N677 PolarHBondContact O-N 2.69Å
674	K	94.4	Very high	93.6	Very high	68 Å²	68	43.8 Å²	43.8	30%	0.296	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-40.9	176	-69.9	177.5	-171.5	178	0	111.6	D670 V671 N677 L678 Y693 M698	D670-K674 WeakPolarHBondContact O-CG 3.46Å; D670-K674 PolarHBondContact O-N 2.99Å; V671-K674 PolarHBondContact O-N 2.93Å; K674-N677 WeakPolarHBondContact O-CB 3.4Å; K674-N677 PolarHBondContact O-N 3.09Å; K674-L678 PolarHBondContact O-N 2.93Å; K674-Y693 HydrophobicContact CB-CD2 4.38Å; K674-Y693 HydrophobicContact CB-CE1 4.27Å; K674-Y693 HydrophobicContact CB-CE2 3.86Å; K674-Y693 HydrophobicContact CD-CD1 4.36Å; K674-Y693 HydrophobicContact CD-CE1 4.15Å; K674-Y693 HydrophobicContact CG-CE1 4.12Å; K674-Y693 VanDerWaalsContact O-CE2 3.26Å; K674-Y693 WeakPolarHBondContact O-CE2 3.19Å; K674-M698 HydrophobicContact CB-CE 3.62Å; K674-M698 HydrophobicContact CB-SD 4.31Å; K674-M698 HydrophobicContact CD-CE 3.65Å; K674-M698 HydrophobicContact CD-SD 4.49Å; K674-M698 HydrophobicContact CG-CE 4.28Å
675	L	94.6	Very high	93.3	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-42.9	176.3	-69.9	169.6	0	0	0	111.9	V671 L672 F673 N677 L678 M698 L702 L703 F706	V671-L675 HydrophobicContact CG1-CD1 3.96Å; V671-L675 HydrophobicContact CG1-CG 4.41Å; V671-L675 VanDerWaalsContact O-CG 3.3Å; V671-L675 WeakPolarHBondContact O-CG 3.47Å; V671-L675 PolarHBondContact O-N 2.91Å; L672-L675 PolarHBondContact O-N 3.39Å; F673-L675 VanDerWaalsContact C-N 3.33Å; F673-L675 PolarHBondContact O-N 2.84Å; L675-N677 VanDerWaalsContact C-N 3.3Å; L675-N677 PolarHBondContact O-N 3.18Å; L675-L678 HydrophobicContact CD2-CD1 4.38Å; L675-L678 VanDerWaalsContact O-CB 3.3Å; L675-L678 WeakPolarHBondContact O-CB 3.47Å; L675-L678 PolarHBondContact O-N 3.5Å; L675-M698 HydrophobicContact CD2-SD 4.49Å; L675-L702 HydrophobicContact CD1-CD1 4.19Å; L675-L702 HydrophobicContact CD1-CD2 3.92Å; L675-L702 HydrophobicContact CD1-CG 3.95Å; L675-L702 HydrophobicContact CD2-CD2 4.47Å; L675-L702 HydrophobicContact CD2-CG 4.04Å; L675-L703 HydrophobicContact CD2-CD2 3.84Å; L675-F706 HydrophobicContact CB-CD1 3.81Å; L675-F706 HydrophobicContact CB-CD2 4.35Å; L675-F706 HydrophobicContact CB-CE1 3.95Å; L675-F706 HydrophobicContact CB-CE2 4.49Å; L675-F706 HydrophobicContact CB-CG 4.02Å; L675-F706 HydrophobicContact CB-CZ 4.3Å; L675-F706 HydrophobicContact CD1-CD2 4.01Å; L675-F706 HydrophobicContact CD1-CE2 3.79Å; L675-F706 HydrophobicContact CD1-CZ 4.09Å; L675-F706 HydrophobicContact CD2-CB 4.24Å; L675-F706 HydrophobicContact CD2-CD2 4.03Å; L675-F706 HydrophobicContact CD2-CG 4.07Å; L675-F706 HydrophobicContact CG-CD2 4.36Å; L675-F706 HydrophobicContact CG-CG 4.43Å
676	M	94.4	Very high	92.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-30.8	177.2	-164	54.8	67	0	0	112.2	F633 F638 A646 M647 V650 L672 F673 L678 M679	F633-M676 HydrophobicContact CB-CE 4.3Å; F633-M676 HydrophobicContact CD1-CE 3.62Å; F633-M676 HydrophobicContact CD2-CE 3.92Å; F633-M676 HydrophobicContact CE1-CE 3.81Å; F633-M676 HydrophobicContact CE2-CE 4.11Å; F633-M676 HydrophobicContact CG-CE 3.69Å; F633-M676 HydrophobicContact CZ-CE 4.05Å; F638-M676 HydrophobicContact CD1-SD 4.45Å; F638-M676 HydrophobicContact CE1-CE 4.25Å; F638-M676 HydrophobicContact CE1-SD 4.11Å; F638-M676 HydrophobicContact CZ-CE 4.16Å; F638-M676 HydrophobicContact CZ-SD 4.42Å; A646-M676 HydrophobicContact CB-CE 4.18Å; A646-M676 HydrophobicContact CB-CG 4.1Å; A646-M676 HydrophobicContact CB-SD 3.48Å; A646-M676 WeakPolarHBondContact CB-SD 3.34Å; M647-M676 HydrophobicContact CE-CB 4.22Å; M647-M676 HydrophobicContact CE-CG 4.41Å; V650-M676 HydrophobicContact CB-CB 4.35Å; V650-M676 HydrophobicContact CB-CG 4.39Å; V650-M676 HydrophobicContact CG1-CB 4.43Å; V650-M676 HydrophobicContact CG2-CB 3.97Å; V650-M676 HydrophobicContact CG2-CE 3.95Å; V650-M676 HydrophobicContact CG2-CG 3.87Å; L672-M676 PolarHBondContact O-N 3.28Å; F673-M676 PolarHBondContact O-N 3.27Å; M676-L678 PolarHBondContact O-N 2.97Å; M676-M679 WeakPolarHBondContact O-CB 3.49Å; M676-M679 WeakPolarHBondContact O-CG 3.26Å; M676-M679 PolarHBondContact O-N 3.49Å; M676-M679 HydrophobicContact SD-CG 3.79Å
677	N	93.1	Very high	92.3	Very high	40 Å²	40	46 Å²	46	21%	0.214	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-28.7	175.2	-169.4	49.4	0	0	0	112.2	M647 F673 K674 L675 M679 L680 I681 Y693	M647-N677 HydrophobicContact CE-CB 3.58Å; F673-N677 WeakPolarHBondContact O-CB 3.3Å; F673-N677 PolarHBondContact O-N 2.69Å; K674-N677 WeakPolarHBondContact O-CB 3.4Å; K674-N677 PolarHBondContact O-N 3.09Å; L675-N677 VanDerWaalsContact C-N 3.3Å; L675-N677 PolarHBondContact O-N 3.18Å; N677-M679 PolarHBondContact O-N 3.08Å; N677-M679 VanDerWaalsContact O-N 3.11Å; N677-L680 PolarHBondContact O-N 3.27Å; N677-I681 WeakPolarHBondContact O-CG1 3.16Å; N677-I681 PolarHBondContact O-N 3.23Å; N677-Y693 PolarHBondContact ND2-OH 3.47Å
678	L	92.6	Very high	92	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.3	173.7	-61.9	172.4	0	0	0	113.3	K674 L675 M676 L680 V689 V690 Y693 L703 I707 R710	K674-L678 PolarHBondContact O-N 2.93Å; L675-L678 HydrophobicContact CD2-CD1 4.38Å; L675-L678 VanDerWaalsContact O-CB 3.3Å; L675-L678 WeakPolarHBondContact O-CB 3.47Å; L675-L678 PolarHBondContact O-N 3.5Å; M676-L678 PolarHBondContact O-N 2.97Å; L678-L680 VanDerWaalsContact C-N 3.33Å; L678-V689 HydrophobicContact CD2-CG1 3.99Å; L678-V690 HydrophobicContact CD2-CG2 4.21Å; L678-Y693 HydrophobicContact CD2-CD2 3.91Å; L678-Y693 HydrophobicContact CD2-CE2 3.77Å; L678-Y693 HydrophobicContact CG-CD2 4.34Å; L678-Y693 HydrophobicContact CG-CE2 4.09Å; L678-L703 HydrophobicContact CD1-CD2 3.91Å; L678-I707 HydrophobicContact CD1-CD1 4.46Å; L678-I707 HydrophobicContact CD1-CG1 4.11Å; L678-R710 PolarHBondContact O-NH1 3.35Å
679	M	90.5	Very high	91.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.7	174.4	-54.9	-52.7	132.3	0	0	112.9	F638 M676 N677 F706 R710	F638-M679 HydrophobicContact CB-CB 4.29Å; F638-M679 HydrophobicContact CB-CG 4.05Å; F638-M679 HydrophobicContact CB-SD 3.97Å; F638-M679 HydrophobicContact CD1-CG 4.45Å; F638-M679 HydrophobicContact CD2-CG 4.14Å; F638-M679 HydrophobicContact CD2-SD 3.76Å; F638-M679 HydrophobicContact CG-CG 3.95Å; F638-M679 HydrophobicContact CG-SD 4.02Å; M676-M679 WeakPolarHBondContact O-CB 3.49Å; M676-M679 WeakPolarHBondContact O-CG 3.26Å; M676-M679 PolarHBondContact O-N 3.49Å; M676-M679 HydrophobicContact SD-CG 3.79Å; N677-M679 PolarHBondContact O-N 3.08Å; N677-M679 VanDerWaalsContact O-N 3.11Å; M679-F706 HydrophobicContact CE-CB 4.06Å; M679-F706 HydrophobicContact CE-CD1 4.08Å; M679-F706 WeakPolarHBondContact CE-O 3.31Å; M679-R710 HydrophobicContact CE-CG 4.28Å; M679-R710 PolarHBondContact O-NH1 2.96Å; M679-R710 HydrophobicContact SD-CG 3.47Å; M679-R710 WeakPolarHBondContact SD-CG 3.35Å
680	L	89.7	Confident	91.3	Very high	46 Å²	46	47.6 Å²	47.6	24%	0.241	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-20.9	-176.4	-63.2	-178.8	0	0	0	113.5	G643 F644 M647 N677 L678 K682	G643-L680 VanDerWaalsContact C-CD2 3.4Å; F644-L680 HydrophobicContact CB-CD2 4.4Å; F644-L680 HydrophobicContact CD1-CD1 4.35Å; F644-L680 HydrophobicContact CD1-CD2 3.89Å; F644-L680 HydrophobicContact CD2-CD2 3.82Å; F644-L680 HydrophobicContact CE1-CD1 4.45Å; F644-L680 HydrophobicContact CE1-CD2 4.06Å; F644-L680 HydrophobicContact CE2-CD2 3.99Å; F644-L680 HydrophobicContact CG-CD2 3.77Å; F644-L680 HydrophobicContact CZ-CD2 4.11Å; M647-L680 HydrophobicContact CB-CD1 3.85Å; M647-L680 HydrophobicContact CE-CD1 3.9Å; M647-L680 HydrophobicContact CG-CD1 3.88Å; N677-L680 PolarHBondContact O-N 3.27Å; L678-L680 VanDerWaalsContact C-N 3.33Å; L680-K682 PolarHBondContact O-N 2.8Å
681	I	90.5	Very high	91	Very high	31 Å²	31	48.9 Å²	48.9	16%	0.159	24%	0.238	C	C	.	.	S	Bend	trans	-68	132.4	180	-56.9	-54.6	0	0	0	109.6	N677 N685 V686 V689 R710	N677-I681 WeakPolarHBondContact O-CG1 3.16Å; N677-I681 PolarHBondContact O-N 3.23Å; I681-N685 HydrophobicContact CG2-CB 3.7Å; I681-V686 HydrophobicContact CB-CG2 4.23Å; I681-V686 HydrophobicContact CG2-CG2 3.97Å; I681-V689 HydrophobicContact CD1-CG2 4.13Å; I681-V689 HydrophobicContact CG1-CB 4.47Å; I681-V689 HydrophobicContact CG1-CG1 4.33Å; I681-V689 HydrophobicContact CG1-CG2 4.1Å; I681-V689 HydrophobicContact CG2-CG2 4.04Å; I681-R710 PolarHBondContact O-NH1 3.01Å; I681-R710 PolarHBondContact O-NH2 3.35Å; I681-R710 VanDerWaalsContact O-NH2 3.16Å
682	K	88.7	Confident	90.8	Very high	146 Å²	146	50.7 Å²	50.7	64%	0.635	25%	0.246	S	C	*	.			trans	-63.8	145.1	174.2	-65.1	-172.6	175.2	-177.5	0	111	L680 E684 N685 V686	L680-K682 PolarHBondContact O-N 2.8Å; K682-E684 WeakPolarHBondContact CB-OE2 3.19Å; K682-E684 PolarHBondContact O-N 3.45Å; K682-N685 PolarHBondContact O-N 3.38Å; K682-V686 WeakPolarHBondContact O-CG2 3.33Å; K682-V686 PolarHBondContact O-N 3.38Å
683	P	85	Confident	90.7	Very high	38 Å²	38	52.1 Å²	52.1	25%	0.247	25%	0.252	C	S	.	.	H	α-helix	trans	-48.7	-37.5	-174.8	-31.5	37.4	0	0	0	115.4	N685 V686 D712 A716 L718	P683-N685 PolarHBondContact O-N 2.85Å; P683-V686 PolarHBondContact O-N 3.47Å; P683-D712 VanDerWaalsContact CG-OD2 3.28Å; P683-D712 WeakPolarHBondContact CG-OD2 3.33Å; P683-A716 HydrophobicContact CB-CB 3.81Å; P683-A716 HydrophobicContact CG-CB 3.99Å; P683-L718 HydrophobicContact CB-CD2 4.27Å
684	E	87.4	Confident	90.4	Very high	144 Å²	144	50.9 Å²	50.9	67%	0.673	25%	0.248	S	C	*	.	H	α-helix	trans	-66.8	-27.9	-177.2	-53.1	75.7	-156.5	0	0	112.3	K682	K682-E684 WeakPolarHBondContact CB-OE2 3.19Å; K682-E684 PolarHBondContact O-N 3.45Å
685	N	89.6	Confident	90.2	Very high	83 Å²	83	55.1 Å²	55.1	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-100.7	-9.8	-175.7	-64.7	-18.8	0	0	0	113.2	I681 K682 P683 Q687 Q688 V689	I681-N685 HydrophobicContact CG2-CB 3.7Å; K682-N685 PolarHBondContact O-N 3.38Å; P683-N685 PolarHBondContact O-N 2.85Å; N685-Q687 VanDerWaalsContact C-N 3.25Å; N685-Q687 PolarHBondContact O-N 2.94Å; N685-Q688 PolarHBondContact O-N 3.06Å; N685-Q688 VanDerWaalsContact O-N 3.17Å; N685-V689 PolarHBondContact O-N 3.49Å
686	V	88.2	Confident	89.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.6	-41.4	-176.5	173.5	0	0	0	0	111.1	I681 K682 P683 Q688 V689 V690 I707 L718	I681-V686 HydrophobicContact CB-CG2 4.23Å; I681-V686 HydrophobicContact CG2-CG2 3.97Å; K682-V686 WeakPolarHBondContact O-CG2 3.33Å; K682-V686 PolarHBondContact O-N 3.38Å; P683-V686 PolarHBondContact O-N 3.47Å; V686-Q688 VanDerWaalsContact C-N 3.34Å; V686-Q688 PolarHBondContact O-N 2.91Å; V686-V689 PolarHBondContact O-N 3.16Å; V686-V690 HydrophobicContact CG1-CG2 4.08Å; V686-V690 WeakPolarHBondContact O-CB 3.38Å; V686-V690 VanDerWaalsContact O-CG2 3.22Å; V686-V690 WeakPolarHBondContact O-CG2 3.32Å; V686-V690 PolarHBondContact O-N 3.28Å; V686-I707 HydrophobicContact CG1-CD1 4.1Å; V686-L718 HydrophobicContact CB-CD2 4.48Å
687	Q	86.9	Confident	89.6	Confident	90 Å²	90	61 Å²	61	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-41	-179.1	-177.7	174.3	-11.6	0	0	112.7	N685 Q691 V721	N685-Q687 VanDerWaalsContact C-N 3.25Å; N685-Q687 PolarHBondContact O-N 2.94Å; Q687-Q691 WeakPolarHBondContact O-CG 3.3Å; Q687-Q691 PolarHBondContact O-N 3.25Å; Q687-V721 HydrophobicContact CB-CG1 4.12Å; Q687-V721 HydrophobicContact CB-CG2 4.34Å; Q687-V721 HydrophobicContact CG-CG1 4.27Å
688	Q	88.8	Confident	89.4	Confident	127 Å²	127	59.7 Å²	59.7	59%	0.593	31%	0.312	S	S	*	.	H	α-helix	trans	-65.9	-48.8	179.1	-176.5	176.8	1.7	0	0	110.8	N685 V686 V690 Q691 D692	N685-Q688 PolarHBondContact O-N 3.06Å; N685-Q688 VanDerWaalsContact O-N 3.17Å; V686-Q688 VanDerWaalsContact C-N 3.34Å; V686-Q688 PolarHBondContact O-N 2.91Å; Q688-V690 VanDerWaalsContact C-N 3.3Å; Q688-V690 PolarHBondContact O-N 3.39Å; Q688-Q691 WeakPolarHBondContact O-CB 3.19Å; Q688-Q691 PolarHBondContact O-N 3.25Å; Q688-D692 PolarHBondContact O-N 3.26Å
689	V	90.6	Very high	89.3	Confident	22 Å²	22	63.4 Å²	63.4	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-38	-179.3	178.1	0	0	0	0	111.7	L678 I681 N685 V686 Q691 D692 Y693	L678-V689 HydrophobicContact CD2-CG1 3.99Å; I681-V689 HydrophobicContact CD1-CG2 4.13Å; I681-V689 HydrophobicContact CG1-CB 4.47Å; I681-V689 HydrophobicContact CG1-CG1 4.33Å; I681-V689 HydrophobicContact CG1-CG2 4.1Å; I681-V689 HydrophobicContact CG2-CG2 4.04Å; N685-V689 PolarHBondContact O-N 3.49Å; V686-V689 PolarHBondContact O-N 3.16Å; V689-Q691 VanDerWaalsContact C-N 3.33Å; V689-Q691 PolarHBondContact O-N 3.31Å; V689-D692 PolarHBondContact O-N 3.18Å; V689-Y693 HydrophobicContact CG1-CD1 4.37Å; V689-Y693 HydrophobicContact CG1-CD2 3.94Å; V689-Y693 HydrophobicContact CG1-CE1 4.01Å; V689-Y693 HydrophobicContact CG1-CE2 3.52Å; V689-Y693 HydrophobicContact CG1-CG 4.35Å; V689-Y693 VanDerWaalsContact O-CB 3.31Å; V689-Y693 WeakPolarHBondContact O-CB 3.24Å; V689-Y693 VanDerWaalsContact O-CG 3.26Å; V689-Y693 PolarHBondContact O-N 2.98Å
690	V	89.8	Confident	89.1	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-41.1	174.3	168.9	0	0	0	0	111.4	L678 V686 Q688 Y693 L694 L703 M704 I707	L678-V690 HydrophobicContact CD2-CG2 4.21Å; V686-V690 HydrophobicContact CG1-CG2 4.08Å; V686-V690 WeakPolarHBondContact O-CB 3.38Å; V686-V690 VanDerWaalsContact O-CG2 3.22Å; V686-V690 WeakPolarHBondContact O-CG2 3.32Å; V686-V690 PolarHBondContact O-N 3.28Å; Q688-V690 VanDerWaalsContact C-N 3.3Å; Q688-V690 PolarHBondContact O-N 3.39Å; V690-Y693 PolarHBondContact O-N 3Å; V690-L694 HydrophobicContact CG1-CD1 4.11Å; V690-L694 HydrophobicContact CG1-CG 4.41Å; V690-L694 VanDerWaalsContact O-CG 3.26Å; V690-L694 WeakPolarHBondContact O-CG 3.47Å; V690-L694 PolarHBondContact O-N 3.17Å; V690-L703 HydrophobicContact CG1-CD1 4.25Å; V690-M704 HydrophobicContact CG1-CE 3.82Å; V690-I707 HydrophobicContact CG2-CD1 3.51Å
691	Q	89.6	Confident	89.1	Confident	80 Å²	80	71.5 Å²	71.5	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-64.2	-44.4	176.3	-69.4	-68.1	-6.1	0	0	111.7	Q687 Q688 V689 Y693 L694 Q695	Q687-Q691 WeakPolarHBondContact O-CG 3.3Å; Q687-Q691 PolarHBondContact O-N 3.25Å; Q688-Q691 WeakPolarHBondContact O-CB 3.19Å; Q688-Q691 PolarHBondContact O-N 3.25Å; V689-Q691 VanDerWaalsContact C-N 3.33Å; V689-Q691 PolarHBondContact O-N 3.31Å; Q691-Y693 VanDerWaalsContact C-N 3.26Å; Q691-Y693 PolarHBondContact O-N 3.41Å; Q691-L694 PolarHBondContact O-N 3.03Å; Q691-Q695 WeakPolarHBondContact O-CG 3.41Å; Q691-Q695 PolarHBondContact O-N 3.21Å
692	D	91	Very high	89.1	Confident	78 Å²	78	72.2 Å²	72.2	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-39	176.8	-62	-17.8	0	0	0	111.2	Q688 V689 Q695 S696	Q688-D692 PolarHBondContact O-N 3.26Å; V689-D692 PolarHBondContact O-N 3.18Å; D692-Q695 PolarHBondContact O-N 3.16Å; D692-S696 PolarHBondContact O-N 3.46Å
693	Y	93.2	Very high	89.2	Confident	30 Å²	30	65.3 Å²	65.3	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-70.3	-39.1	177.7	-77.7	2.4	0	0	0	113.3	K674 N677 L678 V689 V690 Q691 Q695 S696 G697 M698 L703	K674-Y693 HydrophobicContact CB-CD2 4.38Å; K674-Y693 HydrophobicContact CB-CE1 4.27Å; K674-Y693 HydrophobicContact CB-CE2 3.86Å; K674-Y693 HydrophobicContact CD-CD1 4.36Å; K674-Y693 HydrophobicContact CD-CE1 4.15Å; K674-Y693 HydrophobicContact CG-CE1 4.12Å; K674-Y693 VanDerWaalsContact O-CE2 3.26Å; K674-Y693 WeakPolarHBondContact O-CE2 3.19Å; N677-Y693 PolarHBondContact ND2-OH 3.47Å; L678-Y693 HydrophobicContact CD2-CD2 3.91Å; L678-Y693 HydrophobicContact CD2-CE2 3.77Å; L678-Y693 HydrophobicContact CG-CD2 4.34Å; L678-Y693 HydrophobicContact CG-CE2 4.09Å; V689-Y693 HydrophobicContact CG1-CD1 4.37Å; V689-Y693 HydrophobicContact CG1-CD2 3.94Å; V689-Y693 HydrophobicContact CG1-CE1 4.01Å; V689-Y693 HydrophobicContact CG1-CE2 3.52Å; V689-Y693 HydrophobicContact CG1-CG 4.35Å; V689-Y693 VanDerWaalsContact O-CB 3.31Å; V689-Y693 WeakPolarHBondContact O-CB 3.24Å; V689-Y693 VanDerWaalsContact O-CG 3.26Å; V689-Y693 PolarHBondContact O-N 2.98Å; V690-Y693 PolarHBondContact O-N 3Å; Q691-Y693 VanDerWaalsContact C-N 3.26Å; Q691-Y693 PolarHBondContact O-N 3.41Å; Y693-Q695 VanDerWaalsContact C-N 3.34Å; Y693-S696 PolarHBondContact O-N 3.23Å; Y693-S696 PolarHBondContact O-OG 2.84Å; Y693-G697 PolarHBondContact O-N 3.24Å; Y693-M698 HydrophobicContact CD1-CE 3.88Å; Y693-M698 HydrophobicContact CD2-CE 3.45Å; Y693-M698 VanDerWaalsContact CD2-CE 3.45Å; Y693-M698 HydrophobicContact CE2-CE 4.2Å; Y693-M698 HydrophobicContact CG-CE 3.26Å; Y693-M698 PolarHBondContact O-N 2.66Å; Y693-L703 HydrophobicContact CD2-CD2 4.03Å
694	L	90.2	Very high	89.4	Confident	37 Å²	37	64.2 Å²	64.2	19%	0.194	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-42.8	170.8	-73	171.2	0	0	0	111.3	V690 Q691 S696 G697 M698 R700 L703	V690-L694 HydrophobicContact CG1-CD1 4.11Å; V690-L694 HydrophobicContact CG1-CG 4.41Å; V690-L694 VanDerWaalsContact O-CG 3.26Å; V690-L694 WeakPolarHBondContact O-CG 3.47Å; V690-L694 PolarHBondContact O-N 3.17Å; Q691-L694 PolarHBondContact O-N 3.03Å; L694-S696 VanDerWaalsContact C-N 3.25Å; L694-S696 PolarHBondContact O-N 2.72Å; L694-G697 PolarHBondContact O-N 2.76Å; L694-M698 WeakPolarHBondContact CD2-O 3.24Å; L694-R700 HydrophobicContact CD2-CB 3.78Å; L694-R700 HydrophobicContact CD2-CG 4.3Å; L694-L703 HydrophobicContact CD2-CD1 3.74Å; L694-L703 HydrophobicContact CG-CD1 3.81Å
695	Q	89.3	Confident	89.6	Confident	158 Å²	158	60.8 Å²	60.8	74%	0.738	33%	0.325	S	S	*	.	H	α-helix	trans	-63	-32.8	175.1	-70.7	176.7	13.1	0	0	112.2	Q691 D692 Y693 G697	Q691-Q695 WeakPolarHBondContact O-CG 3.41Å; Q691-Q695 PolarHBondContact O-N 3.21Å; D692-Q695 PolarHBondContact O-N 3.16Å; Y693-Q695 VanDerWaalsContact C-N 3.34Å; Q695-G697 PolarHBondContact O-N 3.29Å
696	S	88.8	Confident	89.8	Confident	65 Å²	65	56.8 Å²	56.8	46%	0.455	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-1.2	173.2	80.5	0	0	0	0	114.3	D692 Y693 L694	D692-S696 PolarHBondContact O-N 3.46Å; Y693-S696 PolarHBondContact O-N 3.23Å; Y693-S696 PolarHBondContact O-OG 2.84Å; L694-S696 VanDerWaalsContact C-N 3.25Å; L694-S696 PolarHBondContact O-N 2.72Å
697	G	88.3	Confident	89.9	Confident	61 Å²	61	56.9 Å²	56.9	63%	0.629	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	8.2	175	0	0	0	0	0	115.5	Y693 L694 Q695	Y693-G697 PolarHBondContact O-N 3.24Å; L694-G697 PolarHBondContact O-N 2.76Å; Q695-G697 PolarHBondContact O-N 3.29Å
698	M	89.5	Confident	90.2	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.059	31%	0.306	C	S	.	.			trans	-73.2	138	178.2	-77.6	-161.7	-80.2	0	0	112.1	V671 K674 L675 Y693 L694 R700 L703	V671-M698 HydrophobicContact CB-SD 4.5Å; V671-M698 HydrophobicContact CG1-SD 3.86Å; V671-M698 HydrophobicContact CG2-SD 4.46Å; K674-M698 HydrophobicContact CB-CE 3.62Å; K674-M698 HydrophobicContact CB-SD 4.31Å; K674-M698 HydrophobicContact CD-CE 3.65Å; K674-M698 HydrophobicContact CD-SD 4.49Å; K674-M698 HydrophobicContact CG-CE 4.28Å; L675-M698 HydrophobicContact CD2-SD 4.49Å; Y693-M698 HydrophobicContact CD1-CE 3.88Å; Y693-M698 HydrophobicContact CD2-CE 3.45Å; Y693-M698 VanDerWaalsContact CD2-CE 3.45Å; Y693-M698 HydrophobicContact CE2-CE 4.2Å; Y693-M698 HydrophobicContact CG-CE 3.26Å; Y693-M698 PolarHBondContact O-N 2.66Å; L694-M698 WeakPolarHBondContact CD2-O 3.24Å; M698-R700 PolarHBondContact O-N 3.11Å; M698-L703 HydrophobicContact CB-CD1 4.22Å; M698-L703 HydrophobicContact CB-CD2 4.24Å; M698-L703 HydrophobicContact CB-CG 4.27Å; M698-L703 HydrophobicContact CE-CD2 3.86Å; M698-L703 HydrophobicContact SD-CD2 4.07Å
699	P	88.9	Confident	90.4	Very high	78 Å²	78	52.2 Å²	52.2	51%	0.506	28%	0.283	S	S	.	.			trans	-61.6	135.5	178	-22.1	32.4	0	0	0	112.1	D701 L702 L703	P699-D701 VanDerWaalsContact C-N 3.33Å; P699-D701 PolarHBondContact O-N 3.16Å; P699-L702 HydrophobicContact CB-CB 4.11Å; P699-L702 HydrophobicContact CG-CB 4.49Å; P699-L702 PolarHBondContact O-N 2.73Å; P699-L703 PolarHBondContact O-N 3.49Å
700	R	87.5	Confident	90.5	Very high	97 Å²	97	51.6 Å²	51.6	37%	0.366	28%	0.278	S	S	.	.	H	α-helix	trans	-56.7	-47.1	178.1	-173.7	179.8	-71.8	-150.4	-1.9	111.6	L694 M698 L702 L703 M704 F724	L694-R700 HydrophobicContact CD2-CB 3.78Å; L694-R700 HydrophobicContact CD2-CG 4.3Å; M698-R700 PolarHBondContact O-N 3.11Å; R700-L702 VanDerWaalsContact C-N 3.27Å; R700-L702 PolarHBondContact O-N 3.37Å; R700-L703 PolarHBondContact O-N 3.4Å; R700-M704 HydrophobicContact CG-CE 4.05Å; R700-M704 HydrophobicContact CG-CG 4.21Å; R700-M704 VanDerWaalsContact O-CG 3.24Å; R700-M704 WeakPolarHBondContact O-CG 3.29Å; R700-M704 PolarHBondContact O-N 2.95Å; R700-F724 PolarHBondContact NH1-O 2.99Å; R700-F724 VanDerWaalsContact NH1-O 3.14Å
701	D	89.2	Confident	90.5	Very high	122 Å²	122	54.2 Å²	54.2	65%	0.652	29%	0.294	S	S	*	.	H	α-helix	trans	-61.3	-37.6	-177	-58.8	-34.5	0	0	0	112.2	P699 M704 N705	P699-D701 VanDerWaalsContact C-N 3.33Å; P699-D701 PolarHBondContact O-N 3.16Å; D701-M704 PolarHBondContact O-N 3.38Å; D701-N705 WeakPolarHBondContact O-CB 3.47Å; D701-N705 PolarHBondContact O-N 3.04Å; D701-N705 PolarHBondContact O-ND2 3.07Å; D701-N705 PolarHBondContact O-OD1 3.19Å
702	L	90.9	Very high	90.5	Very high	46 Å²	46	51.3 Å²	51.3	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-48.3	177.5	-177.3	63.2	0	0	0	111.7	V671 L675 P699 R700 M704 N705 F706	V671-L702 HydrophobicContact CG1-CD2 4.3Å; L675-L702 HydrophobicContact CD1-CD1 4.19Å; L675-L702 HydrophobicContact CD1-CD2 3.92Å; L675-L702 HydrophobicContact CD1-CG 3.95Å; L675-L702 HydrophobicContact CD2-CD2 4.47Å; L675-L702 HydrophobicContact CD2-CG 4.04Å; P699-L702 HydrophobicContact CB-CB 4.11Å; P699-L702 HydrophobicContact CG-CB 4.49Å; P699-L702 PolarHBondContact O-N 2.73Å; R700-L702 VanDerWaalsContact C-N 3.27Å; R700-L702 PolarHBondContact O-N 3.37Å; L702-M704 VanDerWaalsContact C-N 3.31Å; L702-M704 PolarHBondContact O-N 3.47Å; L702-N705 PolarHBondContact O-N 2.97Å; L702-F706 HydrophobicContact CD1-CD2 4.28Å; L702-F706 HydrophobicContact CD1-CE2 4.21Å; L702-F706 PolarHBondContact O-N 3.01Å; L702-F706 VanDerWaalsContact O-N 3.17Å
703	L	91.2	Very high	90.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-44.7	176.5	-63.9	170.6	0	0	0	110.9	L675 L678 V690 Y693 L694 M698 P699 R700 F706 I707	L675-L703 HydrophobicContact CD2-CD2 3.84Å; L678-L703 HydrophobicContact CD1-CD2 3.91Å; V690-L703 HydrophobicContact CG1-CD1 4.25Å; Y693-L703 HydrophobicContact CD2-CD2 4.03Å; L694-L703 HydrophobicContact CD2-CD1 3.74Å; L694-L703 HydrophobicContact CG-CD1 3.81Å; M698-L703 HydrophobicContact CB-CD1 4.22Å; M698-L703 HydrophobicContact CB-CD2 4.24Å; M698-L703 HydrophobicContact CB-CG 4.27Å; M698-L703 HydrophobicContact CE-CD2 3.86Å; M698-L703 HydrophobicContact SD-CD2 4.07Å; P699-L703 PolarHBondContact O-N 3.49Å; R700-L703 PolarHBondContact O-N 3.4Å; L703-F706 PolarHBondContact O-N 3.11Å; L703-I707 VanDerWaalsContact O-CG1 3.29Å; L703-I707 WeakPolarHBondContact O-CG1 3.45Å; L703-I707 PolarHBondContact O-N 3.03Å
704	M	88.4	Confident	89.9	Confident	15 Å²	15	56.2 Å²	56.2	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-41.4	-178.5	-64	-56.7	154.5	0	0	112.2	V690 R700 D701 L702 F706 I707 Q708 I722	V690-M704 HydrophobicContact CG1-CE 3.82Å; R700-M704 HydrophobicContact CG-CE 4.05Å; R700-M704 HydrophobicContact CG-CG 4.21Å; R700-M704 VanDerWaalsContact O-CG 3.24Å; R700-M704 WeakPolarHBondContact O-CG 3.29Å; R700-M704 PolarHBondContact O-N 2.95Å; D701-M704 PolarHBondContact O-N 3.38Å; L702-M704 VanDerWaalsContact C-N 3.31Å; L702-M704 PolarHBondContact O-N 3.47Å; M704-F706 VanDerWaalsContact C-N 3.29Å; M704-F706 PolarHBondContact O-N 2.9Å; M704-I707 PolarHBondContact O-N 3.24Å; M704-I707 HydrophobicContact SD-CD1 4.33Å; M704-Q708 WeakPolarHBondContact O-CG 3.38Å; M704-Q708 PolarHBondContact O-N 3.13Å; M704-Q708 VanDerWaalsContact O-N 3.16Å; M704-I722 HydrophobicContact CG-CG2 4.48Å; M704-I722 HydrophobicContact SD-CB 4.27Å; M704-I722 HydrophobicContact SD-CG1 3.78Å; M704-I722 HydrophobicContact SD-CG2 4.35Å
705	N	91.8	Very high	89.7	Confident	72 Å²	72	59 Å²	59	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-37	177.5	-71.3	-16.2	0	0	0	111.8	Y634 D701 L702	Y634-N705 HydrophobicContact CE1-CB 3.85Å; Y634-N705 WeakPolarHBondContact OH-CB 3.47Å; D701-N705 WeakPolarHBondContact O-CB 3.47Å; D701-N705 PolarHBondContact O-N 3.04Å; D701-N705 PolarHBondContact O-ND2 3.07Å; D701-N705 PolarHBondContact O-OD1 3.19Å; L702-N705 PolarHBondContact O-N 2.97Å
706	F	92.7	Very high	89.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.3	-42.6	174.2	-94.9	-101.5	0	0	0	112.4	V630 Y634 L672 L675 M679 L702 L703 M704 Q708 L709	V630-F706 HydrophobicContact CG1-CE2 4.23Å; V630-F706 HydrophobicContact CG1-CZ 4.26Å; Y634-F706 AromaticContact CE1-CD2 3.98Å; Y634-F706 HydrophobicContact CE1-CD2 3.98Å; Y634-F706 AromaticContact CE1-CE2 4Å; Y634-F706 HydrophobicContact CE1-CE2 4Å; Y634-F706 HydrophobicContact CE2-CD2 4.46Å; Y634-F706 AromaticContact CE2-CE2 3.76Å; Y634-F706 HydrophobicContact CE2-CE2 3.76Å; Y634-F706 HydrophobicContact CE2-CZ 4.44Å; Y634-F706 AromaticContact CZ-CD2 3.69Å; Y634-F706 AromaticContact CZ-CE2 3.43Å; Y634-F706 VanDerWaalsContact CZ-CE2 3.43Å; Y634-F706 WeakPolarHBondContact OH-CD2 3.45Å; Y634-F706 WeakPolarHBondContact OH-CE2 3.38Å; L672-F706 HydrophobicContact CD1-CZ 4.4Å; L675-F706 HydrophobicContact CB-CD1 3.81Å; L675-F706 HydrophobicContact CB-CD2 4.35Å; L675-F706 HydrophobicContact CB-CE1 3.95Å; L675-F706 HydrophobicContact CB-CE2 4.49Å; L675-F706 HydrophobicContact CB-CG 4.02Å; L675-F706 HydrophobicContact CB-CZ 4.3Å; L675-F706 HydrophobicContact CD1-CD2 4.01Å; L675-F706 HydrophobicContact CD1-CE2 3.79Å; L675-F706 HydrophobicContact CD1-CZ 4.09Å; L675-F706 HydrophobicContact CD2-CB 4.24Å; L675-F706 HydrophobicContact CD2-CD2 4.03Å; L675-F706 HydrophobicContact CD2-CG 4.07Å; L675-F706 HydrophobicContact CG-CD2 4.36Å; L675-F706 HydrophobicContact CG-CG 4.43Å; M679-F706 HydrophobicContact CE-CB 4.06Å; M679-F706 HydrophobicContact CE-CD1 4.08Å; M679-F706 WeakPolarHBondContact CE-O 3.31Å; L702-F706 HydrophobicContact CD1-CD2 4.28Å; L702-F706 HydrophobicContact CD1-CE2 4.21Å; L702-F706 PolarHBondContact O-N 3.01Å; L702-F706 VanDerWaalsContact O-N 3.17Å; L703-F706 PolarHBondContact O-N 3.11Å; M704-F706 VanDerWaalsContact C-N 3.29Å; M704-F706 PolarHBondContact O-N 2.9Å; F706-Q708 PolarHBondContact O-N 3.27Å; F706-L709 HydrophobicContact CD1-CD1 4.3Å; F706-L709 VanDerWaalsContact O-CB 3.26Å; F706-L709 WeakPolarHBondContact O-CB 3.15Å; F706-L709 WeakPolarHBondContact O-CG 3.29Å; F706-L709 PolarHBondContact O-N 3.47Å
707	I	91.5	Very high	89.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-32.8	179	-70	163.9	0	0	0	112	L678 V686 V690 L703 M704 L709 R710 F713 L718	L678-I707 HydrophobicContact CD1-CD1 4.46Å; L678-I707 HydrophobicContact CD1-CG1 4.11Å; V686-I707 HydrophobicContact CG1-CD1 4.1Å; V690-I707 HydrophobicContact CG2-CD1 3.51Å; L703-I707 VanDerWaalsContact O-CG1 3.29Å; L703-I707 WeakPolarHBondContact O-CG1 3.45Å; L703-I707 PolarHBondContact O-N 3.03Å; M704-I707 PolarHBondContact O-N 3.24Å; M704-I707 HydrophobicContact SD-CD1 4.33Å; I707-L709 PolarHBondContact O-N 3.18Å; I707-R710 WeakPolarHBondContact O-CB 3.1Å; I707-R710 WeakPolarHBondContact O-CG 3.25Å; I707-R710 PolarHBondContact O-N 3.34Å; I707-F713 HydrophobicContact CG2-CD2 3.95Å; I707-F713 HydrophobicContact CG2-CE2 4.24Å; I707-L718 HydrophobicContact CG2-CB 4.25Å; I707-L718 HydrophobicContact CG2-CD1 4.09Å
708	Q	92	Very high	88.8	Confident	99 Å²	99	54 Å²	54	46%	0.463	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.6	175.1	-72	176.7	29.1	0	0	113.9	M704 F706 R710 F713	M704-Q708 WeakPolarHBondContact O-CG 3.38Å; M704-Q708 PolarHBondContact O-N 3.13Å; M704-Q708 VanDerWaalsContact O-N 3.16Å; F706-Q708 PolarHBondContact O-N 3.27Å; Q708-R710 VanDerWaalsContact C-N 3.27Å; Q708-R710 PolarHBondContact O-N 3.07Å; Q708-F713 HydrophobicContact CG-CD2 4.38Å; Q708-F713 HydrophobicContact CG-CE1 4.06Å; Q708-F713 HydrophobicContact CG-CE2 3.87Å; Q708-F713 HydrophobicContact CG-CZ 3.7Å
709	L	93.3	Very high	88.1	Confident	20 Å²	20	58.2 Å²	58.2	11%	0.105	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.7	178.4	-52.6	177.5	0	0	0	112.7	Y634 T637 F638 F706 I707	Y634-L709 HydrophobicContact CD1-CD1 3.86Å; Y634-L709 HydrophobicContact CD1-CD2 4.27Å; Y634-L709 HydrophobicContact CD1-CG 4.48Å; Y634-L709 HydrophobicContact CE1-CD1 4.25Å; T637-L709 CarbonylContact C-O 3.55Å; T637-L709 WeakPolarHBondContact CA-O 3.26Å; F638-L709 HydrophobicContact CD2-CB 3.78Å; F638-L709 HydrophobicContact CE2-CB 3.9Å; F638-L709 HydrophobicContact CE2-CD1 3.98Å; F638-L709 PolarHBondContact N-O 3.35Å; F706-L709 HydrophobicContact CD1-CD1 4.3Å; F706-L709 VanDerWaalsContact O-CB 3.26Å; F706-L709 WeakPolarHBondContact O-CB 3.15Å; F706-L709 WeakPolarHBondContact O-CG 3.29Å; F706-L709 PolarHBondContact O-N 3.47Å; I707-L709 PolarHBondContact O-N 3.18Å
710	R	93	Very high	87.3	Confident	8 Å²	8	58.3 Å²	58.3	3%	0.03	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-71.4	137.9	176.8	-60.7	175.2	56.1	105.3	3.1	111.4	L678 M679 I681 I707 Q708 D712 F713	L678-R710 PolarHBondContact O-NH1 3.35Å; M679-R710 HydrophobicContact CE-CG 4.28Å; M679-R710 PolarHBondContact O-NH1 2.96Å; M679-R710 HydrophobicContact SD-CG 3.47Å; M679-R710 WeakPolarHBondContact SD-CG 3.35Å; I681-R710 PolarHBondContact O-NH1 3.01Å; I681-R710 PolarHBondContact O-NH2 3.35Å; I681-R710 VanDerWaalsContact O-NH2 3.16Å; I707-R710 WeakPolarHBondContact O-CB 3.1Å; I707-R710 WeakPolarHBondContact O-CG 3.25Å; I707-R710 PolarHBondContact O-N 3.34Å; Q708-R710 VanDerWaalsContact C-N 3.27Å; Q708-R710 PolarHBondContact O-N 3.07Å; R710-D712 WeakPolarHBondContact CB-OD1 3.36Å; R710-D712 IonicContact CZ-OD1 3.55Å; R710-D712 IonicContact CZ-OD2 3.75Å; R710-D712 IonicContact NE-OD1 2.73Å; R710-D712 PolarHBondContact NE-OD1 3.11Å; R710-D712 IonicContact NE-OD2 3.63Å; R710-D712 IonicContact NH2-OD1 3.55Å; R710-D712 PolarHBondContact NH2-OD1 2.81Å; R710-D712 IonicContact NH2-OD2 2.8Å; R710-D712 PolarHBondContact NH2-OD2 2.94Å; R710-D712 PolarHBondContact O-N 3.11Å; R710-F713 VanDerWaalsContact O-CB 3.24Å; R710-F713 WeakPolarHBondContact O-CB 3.49Å; R710-F713 PolarHBondContact O-N 3.39Å; R710-F713 VanDerWaalsContact O-N 3.16Å
711	T	89.4	Confident	86.3	Confident	58 Å²	58	54.9 Å²	54.9	36%	0.356	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.1	178.3	51.2	0	0	0	0	113.5	F638 F713	F638-T711 WeakPolarHBondContact O-CG2 3.22Å; F638-T711 PolarHBondContact O-N 3.2Å; F638-T711 PolarHBondContact O-OG1 3.42Å; T711-F713 VanDerWaalsContact C-N 3.34Å
712	D	89.7	Confident	84.9	Confident	20 Å²	20	52 Å²	52	11%	0.107	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	0.8	179.9	68.1	-15.4	0	0	0	113.6	P683 R710 K714 S715 A716	P683-D712 VanDerWaalsContact CG-OD2 3.28Å; P683-D712 WeakPolarHBondContact CG-OD2 3.33Å; R710-D712 WeakPolarHBondContact CB-OD1 3.36Å; R710-D712 IonicContact CZ-OD1 3.55Å; R710-D712 IonicContact CZ-OD2 3.75Å; R710-D712 IonicContact NE-OD1 2.73Å; R710-D712 PolarHBondContact NE-OD1 3.11Å; R710-D712 IonicContact NE-OD2 3.63Å; R710-D712 IonicContact NH2-OD1 3.55Å; R710-D712 PolarHBondContact NH2-OD1 2.81Å; R710-D712 IonicContact NH2-OD2 2.8Å; R710-D712 PolarHBondContact NH2-OD2 2.94Å; R710-D712 PolarHBondContact O-N 3.11Å; D712-K714 VanDerWaalsContact C-N 3.26Å; D712-K714 PolarHBondContact O-N 3.38Å; D712-K714 VanDerWaalsContact O-N 3.13Å; D712-S715 VanDerWaalsContact CA-OG 3.25Å; D712-S715 WeakPolarHBondContact CA-OG 3.45Å; D712-S715 PolarHBondContact O-N 3.31Å; D712-S715 VanDerWaalsContact O-N 3.11Å; D712-S715 PolarHBondContact O-OG 3.25Å; D712-S715 VanDerWaalsContact O-OG 3.11Å; D712-A716 HydrophobicContact CB-CB 4.4Å; D712-A716 WeakPolarHBondContact O-CB 3.28Å; D712-A716 PolarHBondContact O-N 3.25Å
713	F	87.1	Confident	83.4	Confident	31 Å²	31	56.4 Å²	56.4	14%	0.136	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-46.8	-176	174.5	-107.8	0	0	0	113.2	I707 Q708 R710 T711 L718 Q719 I722	I707-F713 HydrophobicContact CG2-CD2 3.95Å; I707-F713 HydrophobicContact CG2-CE2 4.24Å; Q708-F713 HydrophobicContact CG-CD2 4.38Å; Q708-F713 HydrophobicContact CG-CE1 4.06Å; Q708-F713 HydrophobicContact CG-CE2 3.87Å; Q708-F713 HydrophobicContact CG-CZ 3.7Å; R710-F713 VanDerWaalsContact O-CB 3.24Å; R710-F713 WeakPolarHBondContact O-CB 3.49Å; R710-F713 PolarHBondContact O-N 3.39Å; R710-F713 VanDerWaalsContact O-N 3.16Å; T711-F713 VanDerWaalsContact C-N 3.34Å; F713-L718 HydrophobicContact CD2-CB 3.84Å; F713-L718 HydrophobicContact CE2-CB 4.21Å; F713-L718 PolarHBondContact O-N 3.02Å; F713-Q719 HydrophobicContact CZ-CB 4.24Å; F713-I722 HydrophobicContact CE2-CD1 4.01Å; F713-I722 HydrophobicContact CZ-CD1 3.87Å
714	K	86.4	Confident	81.5	Confident	180 Å²	180	63.2 Å²	63.2	78%	0.783	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-43.7	178.4	-66.4	-176.6	179.6	177.8	0	112.5	D712 K717	D712-K714 VanDerWaalsContact C-N 3.26Å; D712-K714 PolarHBondContact O-N 3.38Å; D712-K714 VanDerWaalsContact O-N 3.13Å; K714-K717 PolarHBondContact O-N 3.45Å
715	S	84.9	Confident	79.4	Confident	96 Å²	96	71 Å²	71	67%	0.671	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-39.2	-174.5	52	0	0	0	0	112.6	D712 K717	D712-S715 VanDerWaalsContact CA-OG 3.25Å; D712-S715 WeakPolarHBondContact CA-OG 3.45Å; D712-S715 PolarHBondContact O-N 3.31Å; D712-S715 VanDerWaalsContact O-N 3.11Å; D712-S715 PolarHBondContact O-OG 3.25Å; D712-S715 VanDerWaalsContact O-OG 3.11Å; S715-K717 PolarHBondContact O-N 3.17Å
716	A	83.1	Confident	76.9	Confident	36 Å²	36	72.3 Å²	72.3	30%	0.298	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	4.2	175.9	0	0	0	0	0	113.3	P683 D712 L718	P683-A716 HydrophobicContact CB-CB 3.81Å; P683-A716 HydrophobicContact CG-CB 3.99Å; D712-A716 HydrophobicContact CB-CB 4.4Å; D712-A716 WeakPolarHBondContact O-CB 3.28Å; D712-A716 PolarHBondContact O-N 3.25Å; A716-L718 HydrophobicContact CB-CD2 4.22Å; A716-L718 HydrophobicContact CB-CG 3.98Å; A716-L718 PolarHBondContact O-N 2.92Å
717	K	82.6	Confident	74.2	Confident	138 Å²	138	78.6 Å²	78.6	60%	0.6	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.8	-179.2	-58.9	176.8	-180	175.3	0	112.8	K714 S715 Q719 N720	K714-K717 PolarHBondContact O-N 3.45Å; S715-K717 PolarHBondContact O-N 3.17Å; K717-Q719 PolarHBondContact O-N 3.27Å; K717-N720 WeakPolarHBondContact O-CB 3.45Å; K717-N720 PolarHBondContact O-N 2.97Å
718	L	81	Confident	71.3	Confident	4 Å²	4	93.2 Å²	93.2	2%	0.021	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.3	-179.2	-64.2	-177.3	0	0	0	112.7	P683 V686 I707 F713 A716 N720 V721	P683-L718 HydrophobicContact CB-CD2 4.27Å; V686-L718 HydrophobicContact CB-CD2 4.48Å; I707-L718 HydrophobicContact CG2-CB 4.25Å; I707-L718 HydrophobicContact CG2-CD1 4.09Å; F713-L718 HydrophobicContact CD2-CB 3.84Å; F713-L718 HydrophobicContact CE2-CB 4.21Å; F713-L718 PolarHBondContact O-N 3.02Å; A716-L718 HydrophobicContact CB-CD2 4.22Å; A716-L718 HydrophobicContact CB-CG 3.98Å; A716-L718 PolarHBondContact O-N 2.92Å; L718-N720 PolarHBondContact O-N 3.14Å; L718-N720 VanDerWaalsContact O-N 3.11Å; L718-V721 HydrophobicContact CD2-CG2 4.26Å; L718-V721 VanDerWaalsContact O-CB 3.29Å; L718-V721 WeakPolarHBondContact O-CB 3.32Å; L718-V721 PolarHBondContact O-N 3.17Å
719	Q	75.9	Confident	70.3	Confident	100 Å²	100	92.9 Å²	92.9	47%	0.467	46%	0.46	S	S	.	.	H	α-helix	trans	-52.4	-27.8	166.5	72.8	-177.9	11.9	0	0	113.5	F713 K717 V721 I722	F713-Q719 HydrophobicContact CZ-CB 4.24Å; K717-Q719 PolarHBondContact O-N 3.27Å; Q719-V721 VanDerWaalsContact C-N 3.32Å; Q719-I722 HydrophobicContact CB-CD1 4.36Å; Q719-I722 WeakPolarHBondContact O-CB 3.35Å; Q719-I722 WeakPolarHBondContact O-CG1 3.44Å; Q719-I722 PolarHBondContact O-N 3.36Å; Q719-I722 VanDerWaalsContact O-N 3.17Å
720	N	72.7	Confident	69.1	Low	80 Å²	80	96.7 Å²	96.7	43%	0.428	48%	0.478	S	S	.	.	H	α-helix	trans	-74.4	-24.7	179.5	-67.4	-10.5	0	0	0	112.3	K717 L718 I722 Q723	K717-N720 WeakPolarHBondContact O-CB 3.45Å; K717-N720 PolarHBondContact O-N 2.97Å; L718-N720 PolarHBondContact O-N 3.14Å; L718-N720 VanDerWaalsContact O-N 3.11Å; N720-I722 PolarHBondContact O-N 3.41Å; N720-Q723 PolarHBondContact O-N 3.33Å
721	V	66.6	Low	67.8	Low	25 Å²	25	101.7 Å²	101.7	15%	0.152	50%	0.503	C	S	.	.	H	α-helix	trans	-63.3	-29.8	170.2	-174.7	0	0	0	0	110.2	Q687 L718 Q719	Q687-V721 HydrophobicContact CB-CG1 4.12Å; Q687-V721 HydrophobicContact CB-CG2 4.34Å; Q687-V721 HydrophobicContact CG-CG1 4.27Å; L718-V721 HydrophobicContact CD2-CG2 4.26Å; L718-V721 VanDerWaalsContact O-CB 3.29Å; L718-V721 WeakPolarHBondContact O-CB 3.32Å; L718-V721 PolarHBondContact O-N 3.17Å; Q719-V721 VanDerWaalsContact C-N 3.32Å
722	I	58.4	Low	66.5	Low	63 Å²	63	104.2 Å²	104.2	32%	0.323	51%	0.512	S	S	.	.	H	α-helix	trans	-70.3	-31.6	178.9	-45.9	179.3	0	0	0	111.7	M704 F713 Q719 N720	M704-I722 HydrophobicContact CG-CG2 4.48Å; M704-I722 HydrophobicContact SD-CB 4.27Å; M704-I722 HydrophobicContact SD-CG1 3.78Å; M704-I722 HydrophobicContact SD-CG2 4.35Å; F713-I722 HydrophobicContact CE2-CD1 4.01Å; F713-I722 HydrophobicContact CZ-CD1 3.87Å; Q719-I722 HydrophobicContact CB-CD1 4.36Å; Q719-I722 WeakPolarHBondContact O-CB 3.35Å; Q719-I722 WeakPolarHBondContact O-CG1 3.44Å; Q719-I722 PolarHBondContact O-N 3.36Å; Q719-I722 VanDerWaalsContact O-N 3.17Å; N720-I722 PolarHBondContact O-N 3.41Å
723	Q	59.9	Low	65.1	Low	137 Å²	137	109.5 Å²	109.5	64%	0.64	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.5	-168	-68.2	-172.6	4.2	0	0	115.1	N720 K725	N720-Q723 PolarHBondContact O-N 3.33Å; Q723-K725 PolarHBondContact O-N 2.92Å
724	F	52.4	Low	63.6	Low	144 Å²	144	114.7 Å²	114.7	63%	0.632	56%	0.564	S	S	*	*			trans	-71.9	102.9	176	-97.7	-84	0	0	0	111.3	R700	R700-F724 PolarHBondContact NH1-O 2.99Å; R700-F724 VanDerWaalsContact NH1-O 3.14Å
725	K	44.1	Very low	62	Low	177 Å²	177	110.1 Å²	110.1	77%	0.77	55%	0.548	S	S	*	.			trans	-48.6	138.9	-177.2	-72	174.3	173.9	175.9	0	112.3	Q723 T727	Q723-K725 PolarHBondContact O-N 2.92Å; K725-T727 PolarHBondContact O-N 2.81Å
726	S	38.6	Very low	60.2	Low	101 Å²	101	111.2 Å²	111.2	71%	0.706	54%	0.539	S	S	*	.			trans	-49	83.6	149.3	176.7	0	0	0	0	110.1	R728	S726-R728 PolarHBondContact O-N 3.49Å
727	T	35.5	Very low	58.3	Low	131 Å²	131	117.4 Å²	117.4	80%	0.804	56%	0.559	S	S	*	*			trans	-73.6	116.2	150.7	36.4	0	0	0	0	106.2	K725	K725-T727 PolarHBondContact O-N 2.81Å
728	R	31.9	Very low	56.1	Low	309 Å²	309	115.5 Å²	115.5	100%	1.166	56%	0.555	S	S	*	*			trans	-37.4	0	178.7	-73.9	176	171.5	176.7	-3.9	114.5	S726	S726-R728 PolarHBondContact O-N 3.49Å

Retrieved 728 of 728 residues in 1415.9 ms (Link to these results)

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