A0A096MJY1_RAT Loading...

Glypican 6

Cell surface proteoglycan.

AlphaFold DB , UniProt , Accession A0A096MJY1, Species RAT (Rattus norvegicus, Rat), Gene Gpc6, Length 555 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	39.2	Very low	45.6	Very low	240 Å²	240	151.1 Å²	151.1	100%	1.182	80%	0.799	S	S	*	*				0	145.8	0	-84.3	176.5	169	0	0	109
2	P	46.2	Very low	46	Very low	112 Å²	112	151.9 Å²	151.9	73%	0.727	80%	0.803	S	S	*	*			trans	-80	156.6	-170.9	34	-34.3	0	0	0	112.9
3	S	39.8	Very low	46.1	Very low	91 Å²	91	148.9 Å²	148.9	64%	0.636	80%	0.802	S	S	*	*			trans	53.1	140.3	150.9	-170.1	0	0	0	0	117.3
4	W	45	Very low	46.4	Very low	214 Å²	214	143.4 Å²	143.4	81%	0.811	80%	0.798	S	S	*	*				170.4	119.7	90.4	-84.6	82.7	0	0	0	105.8
5	I	47.4	Very low	46.3	Very low	116 Å²	116	145.4 Å²	145.4	60%	0.595	81%	0.805	S	S	*	*				72.8	118.2	104	-64.2	-170	0	0	0	117
6	R	44.8	Very low	46.7	Very low	234 Å²	234	146.2 Å²	146.2	88%	0.883	81%	0.806	S	S	*	*			trans	62.6	127	148.1	-67.5	167.3	-178	-169.9	-3	119.8
7	A	50.1	Low	46.8	Very low	104 Å²	104	146.4 Å²	146.4	86%	0.86	81%	0.805	S	S	*	*				172.2	148.1	84.2	0	0	0	0	0	111.8
8	V	44	Very low	46.9	Very low	131 Å²	131	145.9 Å²	145.9	79%	0.794	81%	0.807	S	S	*	*			trans	-74.4	131.1	-176.6	169.5	0	0	0	0	111.9
9	I	49.4	Very low	47.1	Very low	173 Å²	173	145.9 Å²	145.9	89%	0.887	81%	0.805	S	S	*	*			trans	-148.5	109.7	145.1	-54.9	-175.8	0	0	0	109.3
10	L	46.1	Very low	46.9	Very low	149 Å²	149	144.8 Å²	144.8	78%	0.78	80%	0.804	S	S	*	*			trans	-88.9	177.7	158.6	-91.6	160.2	0	0	0	108.4
11	P	49.4	Very low	46.7	Very low	98 Å²	98	142.6 Å²	142.6	64%	0.636	81%	0.805	S	S	*	*			cis	-134	173.3	-20.8	27.5	-7.1	0	0	0	111.7
12	L	50.4	Low	46.8	Very low	161 Å²	161	135.9 Å²	135.9	84%	0.843	79%	0.788	S	S	*	*			trans	-178.4	116.7	134.8	-103.6	138.9	0	0	0	111.9
13	S	47.5	Very low	46.5	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	79%	0.788	S	S	*	*			trans	54.4	103.4	144	50.9	0	0	0	0	119.6
14	G	50.9	Low	46.4	Very low	72 Å²	72	137.8 Å²	137.8	74%	0.742	80%	0.797	S	S	*	*			trans	-163.1	79.4	162.6	0	0	0	0	0	110.6	L16	G14-L16 PolarHBondContact O-N 3Å; G14-L16 VanDerWaalsContact O-N 3.15Å
15	L	43.9	Very low	46.7	Very low	173 Å²	173	133.6 Å²	133.6	91%	0.906	80%	0.795	S	S	*	*			trans	-68.5	101.3	174.9	-167	83.4	0	0	0	108.7
16	L	52.7	Low	46.9	Very low	158 Å²	158	137.1 Å²	137.1	83%	0.827	81%	0.806	S	S	*	*			trans	-123.4	106.8	170.4	-105	133	0	0	0	109	G14 T18	G14-L16 PolarHBondContact O-N 3Å; G14-L16 VanDerWaalsContact O-N 3.15Å; L16-T18 PolarHBondContact O-N 2.93Å
17	L	49.3	Very low	47.8	Very low	150 Å²	150	128 Å²	128	79%	0.785	78%	0.78	S	S	*	*			trans	-57.1	112.2	168.9	-75.9	136.6	0	0	0	109.7	L19	L17-L19 PolarHBondContact O-N 2.78Å
18	T	48.2	Very low	49.4	Very low	138 Å²	138	131.2 Å²	131.2	85%	0.847	77%	0.77	S	S	*	*			trans	-86.4	97.9	165	41.5	0	0	0	0	108.9	L16	L16-T18 PolarHBondContact O-N 2.93Å
19	L	49.7	Very low	51.7	Low	146 Å²	146	128.4 Å²	128.4	76%	0.764	76%	0.757	S	S	*	*			trans	-66.2	141.2	159.1	-99.9	77.2	0	0	0	109	L17 A21	L17-L19 PolarHBondContact O-N 2.78Å; L19-A21 PolarHBondContact O-N 3.37Å
20	P	44.7	Very low	53.8	Low	122 Å²	122	120.2 Å²	120.2	79%	0.792	72%	0.715	S	S	*	*			trans	-71	114.9	169.2	29	-28.4	0	0	0	108.4	A22	P20-A22 VanDerWaalsContact C-N 3.32Å; P20-A22 PolarHBondContact O-N 3.21Å
21	A	41	Very low	56.1	Low	100 Å²	100	116.5 Å²	116.5	83%	0.826	70%	0.701	S	S	*	*			trans	-68.3	94	166.2	0	0	0	0	0	108.2	L19 A23	L19-A21 PolarHBondContact O-N 3.37Å; A21-A23 VanDerWaalsContact C-N 3.33Å; A21-A23 PolarHBondContact O-N 2.86Å
22	A	42.2	Very low	58.1	Low	98 Å²	98	117.2 Å²	117.2	81%	0.81	70%	0.696	S	S	*	*			trans	-62.9	101.2	156.1	0	0	0	0	0	106.6	P20 D24	P20-A22 VanDerWaalsContact C-N 3.32Å; P20-A22 PolarHBondContact O-N 3.21Å; A22-D24 PolarHBondContact O-N 3.43Å
23	A	39.8	Very low	60.2	Low	88 Å²	88	109.7 Å²	109.7	73%	0.727	66%	0.656	S	S	*	*			trans	-67.2	101.6	168.8	0	0	0	0	0	107.4	A21 V25	A21-A23 VanDerWaalsContact C-N 3.33Å; A21-A23 PolarHBondContact O-N 2.86Å; A23-V25 PolarHBondContact O-N 2.87Å
24	D	37.4	Very low	62.5	Low	155 Å²	155	107.4 Å²	107.4	83%	0.829	63%	0.63	S	S	*	*			trans	-58.1	99.8	166.8	-120.7	-24.2	0	0	0	107.9	A22 K26	A22-D24 PolarHBondContact O-N 3.43Å; D24-K26 VanDerWaalsContact C-N 3.26Å; D24-K26 PolarHBondContact O-N 3.1Å
25	V	51	Low	64.5	Low	126 Å²	126	111.2 Å²	111.2	76%	0.764	63%	0.629	S	S	*	*			trans	-68.3	92.3	168.2	179.7	0	0	0	0	105.7	A23 A27	A23-V25 PolarHBondContact O-N 2.87Å; V25-A27 PolarHBondContact O-N 3.35Å
26	K	53.3	Low	66.9	Low	190 Å²	190	104 Å²	104	83%	0.826	59%	0.594	S	S	*	*			trans	-54.3	108.2	173.8	-80.2	-178.9	177.1	177.5	0	108.6	D24 R28	D24-K26 VanDerWaalsContact C-N 3.26Å; D24-K26 PolarHBondContact O-N 3.1Å; K26-R28 PolarHBondContact O-N 2.88Å
27	A	63.1	Low	68.9	Low	42 Å²	42	96.5 Å²	96.5	35%	0.347	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-52.9	132.3	173.8	0	0	0	0	0	109.5	V25 Q50	V25-A27 PolarHBondContact O-N 3.35Å; A27-Q50 HydrophobicContact CB-CB 4.11Å
28	R	82.7	Confident	71	Confident	172 Å²	172	90.7 Å²	90.7	65%	0.649	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-70.5	149.9	-179.3	-60.3	175.6	168.6	-176.8	-1.9	109.9	K26 Q50 E51	K26-R28 PolarHBondContact O-N 2.88Å; R28-Q50 WeakPolarHBondContact O-CA 3.04Å; R28-E51 HydrophobicContact CB-CG 4.18Å; R28-E51 PolarHBondContact O-N 3.14Å
29	S	92.3	Very high	73.2	Confident	73 Å²	73	88.4 Å²	88.4	51%	0.51	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-74.2	137.3	177.7	175.8	0	0	0	0	110.8	S31	S29-S31 VanDerWaalsContact C-N 3.28Å; S29-S31 PolarHBondContact O-N 3.11Å; S29-S31 WeakPolarHBondContact OG-CB 3.34Å; S29-S31 PolarHBondContact OG-N 3Å; S29-S31 PolarHBondContact OG-OG 3.1Å
30	C	94.6	Very high	75.2	Confident	1 Å²	1	85.1 Å²	85.1	1%	0.007	51%	0.506	C	S	.	.			trans	-91.3	16.8	173.6	-64.8	0	0	0	0	113	E32 V33 R34 P48 Y49 E51 C66	C30-E32 PolarHBondContact O-N 3.14Å; C30-V33 PolarHBondContact O-N 3.18Å; C30-R34 PolarHBondContact O-N 2.64Å; C30-P48 WeakPolarHBondContact CB-O 3.28Å; C30-Y49 PolarHBondContact N-O 3.34Å; C30-E51 PolarHBondContact SG-N 3.32Å; C30-C66 WeakPolarHBondContact CA-SG 3.44Å; C30-C66 HydrophobicContact CB-CB 3.69Å; C30-C66 WeakPolarHBondContact CB-SG 3.39Å; C30-C66 WeakPolarHBondContact SG-CA 3.23Å; C30-C66 WeakPolarHBondContact SG-CB 3.31Å; C30-C66 CovalentContact SG-SG 2.03Å; C30-C66 PolarHBondContact SG-SG 2.86Å
31	S	93	Very high	77.5	Confident	70 Å²	70	82.6 Å²	82.6	49%	0.49	50%	0.502	S	S	.	.	H	α-helix	trans	-58.4	-42.2	-176	49.6	0	0	0	0	113.8	S29 R34 Q35	S29-S31 VanDerWaalsContact C-N 3.28Å; S29-S31 PolarHBondContact O-N 3.11Å; S29-S31 WeakPolarHBondContact OG-CB 3.34Å; S29-S31 PolarHBondContact OG-N 3Å; S29-S31 PolarHBondContact OG-OG 3.1Å; S31-R34 PolarHBondContact O-N 3.43Å; S31-Q35 PolarHBondContact O-N 3.04Å; S31-Q35 VanDerWaalsContact O-N 3.1Å
32	E	93.1	Very high	80	Confident	114 Å²	114	79.9 Å²	79.9	53%	0.533	47%	0.472	S	S	.	.	H	α-helix	trans	-66.4	-39.9	178	-65.3	-175.1	-174.8	0	0	111.5	C30 Q35 A36 P261	C30-E32 PolarHBondContact O-N 3.14Å; E32-Q35 PolarHBondContact O-N 3.24Å; E32-A36 WeakPolarHBondContact O-CB 3.49Å; E32-A36 PolarHBondContact O-N 3.4Å; E32-P261 HydrophobicContact CB-CG 4.05Å
33	V	94.7	Very high	82.3	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.012	46%	0.455	C	S	.	.	H	α-helix	trans	-65.2	-43.3	176.8	-177.7	0	0	0	0	110.4	C30 Q35 A36 Y37 C66 M71 Y256 P261	C30-V33 PolarHBondContact O-N 3.18Å; V33-Q35 VanDerWaalsContact C-N 3.3Å; V33-Q35 PolarHBondContact O-N 2.9Å; V33-A36 PolarHBondContact O-N 3.1Å; V33-Y37 WeakPolarHBondContact O-CB 3.29Å; V33-Y37 PolarHBondContact O-N 3.34Å; V33-C66 HydrophobicContact CB-CB 4.07Å; V33-C66 HydrophobicContact CG1-CB 3.99Å; V33-C66 HydrophobicContact CG2-CB 3.89Å; V33-M71 HydrophobicContact CG1-CE 4.4Å; V33-Y256 WeakPolarHBondContact CG1-O 3.36Å; V33-Y256 WeakPolarHBondContact CG2-O 3.19Å; V33-P261 HydrophobicContact CG2-CG 4.4Å
34	R	94.5	Very high	84.6	Confident	65 Å²	65	77.2 Å²	77.2	25%	0.245	44%	0.436	C	S	.	.	H	α-helix	trans	-57.7	-43.4	175.7	-176.5	175.7	-174.8	86.7	3.7	111.5	C30 S31 G38 L44 I47	C30-R34 PolarHBondContact O-N 2.64Å; S31-R34 PolarHBondContact O-N 3.43Å; R34-G38 PolarHBondContact O-N 3.26Å; R34-L44 HydrophobicContact CG-CD1 4.36Å; R34-L44 HydrophobicContact CG-CD2 4.02Å; R34-L44 PolarHBondContact NH1-O 3.12Å; R34-L44 VanDerWaalsContact NH2-CB 3.32Å; R34-L44 PolarHBondContact NH2-O 2.8Å; R34-L44 VanDerWaalsContact O-CD2 3.29Å; R34-L44 WeakPolarHBondContact O-CD2 3.32Å; R34-I47 HydrophobicContact CB-CD1 4.3Å; R34-I47 HydrophobicContact CB-CG2 4.2Å; R34-I47 HydrophobicContact CG-CD1 4.1Å
35	Q	93.5	Very high	86.9	Confident	152 Å²	152	73.6 Å²	73.6	71%	0.71	43%	0.428	S	S	*	.	H	α-helix	trans	-66.4	-47.6	176.6	-173.8	179.8	10.2	0	0	111.8	S31 E32 V33 G38 A39	S31-Q35 PolarHBondContact O-N 3.04Å; S31-Q35 VanDerWaalsContact O-N 3.1Å; E32-Q35 PolarHBondContact O-N 3.24Å; V33-Q35 VanDerWaalsContact C-N 3.3Å; V33-Q35 PolarHBondContact O-N 2.9Å; Q35-G38 PolarHBondContact O-N 3.01Å; Q35-A39 WeakPolarHBondContact O-CB 3.23Å; Q35-A39 PolarHBondContact O-N 3.41Å
36	A	94.2	Very high	88.2	Confident	22 Å²	22	70.1 Å²	70.1	18%	0.182	41%	0.405	C	S	.	.	H	α-helix	trans	-66.3	-39.1	-178.4	0	0	0	0	0	112.6	E32 V33 A39 K40 Y256 P261	E32-A36 WeakPolarHBondContact O-CB 3.49Å; E32-A36 PolarHBondContact O-N 3.4Å; V33-A36 PolarHBondContact O-N 3.1Å; A36-A39 PolarHBondContact O-N 3.45Å; A36-K40 PolarHBondContact O-N 3.43Å; A36-Y256 HydrophobicContact CB-CD1 4.08Å; A36-Y256 HydrophobicContact CB-CE1 3.51Å; A36-P261 HydrophobicContact CB-CB 3.61Å; A36-P261 HydrophobicContact CB-CG 4.09Å
37	Y	94.4	Very high	89.9	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	37%	0.367	C	S	.	.	H	α-helix	trans	-67.7	-41.4	175.4	-168.7	-102.1	0	0	0	111.8	V33 A39 K40 F42 S43 I47 M71 K74 L75	V33-Y37 WeakPolarHBondContact O-CB 3.29Å; V33-Y37 PolarHBondContact O-N 3.34Å; Y37-A39 VanDerWaalsContact C-N 3.34Å; Y37-A39 PolarHBondContact O-N 2.96Å; Y37-K40 WeakPolarHBondContact O-CB 3.5Å; Y37-K40 PolarHBondContact O-N 3.17Å; Y37-F42 HydrophobicContact CD1-CB 3.47Å; Y37-F42 VanDerWaalsContact CD1-CB 3.47Å; Y37-F42 HydrophobicContact CD1-CD2 4.34Å; Y37-F42 HydrophobicContact CD1-CG 4.32Å; Y37-F42 HydrophobicContact CD2-CB 4.4Å; Y37-F42 AromaticContact CD2-CD2 3.77Å; Y37-F42 HydrophobicContact CD2-CD2 3.77Å; Y37-F42 HydrophobicContact CD2-CG 4.42Å; Y37-F42 HydrophobicContact CE1-CB 3.07Å; Y37-F42 HydrophobicContact CE1-CD2 4.16Å; Y37-F42 AromaticContact CE1-CG 3.85Å; Y37-F42 HydrophobicContact CE1-CG 3.85Å; Y37-F42 HydrophobicContact CE2-CB 4.01Å; Y37-F42 AromaticContact CE2-CD2 3.45Å; Y37-F42 HydrophobicContact CE2-CD2 3.45Å; Y37-F42 VanDerWaalsContact CE2-CD2 3.45Å; Y37-F42 HydrophobicContact CE2-CE2 4.11Å; Y37-F42 AromaticContact CE2-CG 3.86Å; Y37-F42 HydrophobicContact CE2-CG 3.86Å; Y37-F42 HydrophobicContact CG-CB 4.16Å; Y37-F42 HydrophobicContact CG-CD2 4.21Å; Y37-F42 AromaticContact CZ-CD2 3.67Å; Y37-F42 AromaticContact CZ-CG 3.54Å; Y37-F42 PolarHBondContact O-N 3Å; Y37-S43 WeakPolarHBondContact CE1-O 3.43Å; Y37-I47 HydrophobicContact CD1-CD1 3.33Å; Y37-I47 HydrophobicContact CD1-CG1 4Å; Y37-I47 HydrophobicContact CE1-CD1 4.08Å; Y37-I47 HydrophobicContact CE1-CG1 4.28Å; Y37-I47 HydrophobicContact CG-CD1 3.94Å; Y37-M71 HydrophobicContact CD1-CE 4.37Å; Y37-M71 HydrophobicContact CD2-CE 3.98Å; Y37-M71 HydrophobicContact CE1-CE 4.45Å; Y37-M71 HydrophobicContact CE1-CG 4.34Å; Y37-M71 HydrophobicContact CE2-CB 4.39Å; Y37-M71 HydrophobicContact CE2-CE 4.17Å; Y37-M71 HydrophobicContact CE2-CG 4.35Å; Y37-M71 HydrophobicContact CG-CE 4.09Å; Y37-K74 VanDerWaalsContact OH-CD 3.28Å; Y37-K74 WeakPolarHBondContact OH-CD 3.26Å; Y37-L75 HydrophobicContact CD2-CD1 4.26Å; Y37-L75 HydrophobicContact CD2-CD2 3.92Å; Y37-L75 HydrophobicContact CD2-CG 4.26Å; Y37-L75 HydrophobicContact CE2-CD1 4.08Å; Y37-L75 HydrophobicContact CE2-CD2 3.8Å; Y37-L75 HydrophobicContact CE2-CG 3.8Å
38	G	93.8	Very high	91.2	Very high	27 Å²	27	60.4 Å²	60.4	28%	0.278	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-37.6	172.6	0	0	0	0	0	113.3	R34 Q35 K40 G41	R34-G38 PolarHBondContact O-N 3.26Å; Q35-G38 PolarHBondContact O-N 3.01Å; G38-K40 PolarHBondContact O-N 2.88Å; G38-G41 WeakPolarHBondContact O-CA 3.33Å; G38-G41 PolarHBondContact O-N 2.9Å
39	A	93.7	Very high	91.6	Very high	90 Å²	90	60.7 Å²	60.7	74%	0.744	36%	0.36	S	S	*	.	H	α-helix	trans	-64.7	-22.6	176.4	0	0	0	0	0	113.2	Q35 A36 Y37 G41	Q35-A39 WeakPolarHBondContact O-CB 3.23Å; Q35-A39 PolarHBondContact O-N 3.41Å; A36-A39 PolarHBondContact O-N 3.45Å; Y37-A39 VanDerWaalsContact C-N 3.34Å; Y37-A39 PolarHBondContact O-N 2.96Å; A39-G41 VanDerWaalsContact C-N 3.27Å
40	K	91.5	Very high	91.7	Very high	78 Å²	78	62.9 Å²	62.9	34%	0.339	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.8	170.8	-71.7	-80.1	-174.3	175.5	0	113.4	A36 Y37 G38 F42 E82 Y253	A36-K40 PolarHBondContact O-N 3.43Å; Y37-K40 WeakPolarHBondContact O-CB 3.5Å; Y37-K40 PolarHBondContact O-N 3.17Å; G38-K40 PolarHBondContact O-N 2.88Å; K40-F42 HydrophobicContact CB-CD2 3.75Å; K40-F42 HydrophobicContact CB-CE2 3.78Å; K40-E82 IonicContact NZ-OE1 3.65Å; K40-E82 PolarHBondContact NZ-OE1 2.87Å; K40-E82 IonicContact NZ-OE2 3.37Å; K40-Y253 WeakPolarHBondContact CE-OH 3.27Å; K40-Y253 PolarHBondContact NZ-OH 3.04Å
41	G	93.1	Very high	91.7	Very high	69 Å²	69	64.5 Å²	64.5	71%	0.711	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	9.5	177.6	0	0	0	0	0	114.9	G38 A39	G38-G41 WeakPolarHBondContact O-CA 3.33Å; G38-G41 PolarHBondContact O-N 2.9Å; A39-G41 VanDerWaalsContact C-N 3.27Å
42	F	93.7	Very high	91.7	Very high	42 Å²	42	64.1 Å²	64.1	18%	0.184	36%	0.361	C	S	.	.			trans	-84.3	154.5	177.9	-61.8	-63.2	0	0	0	112.9	Y37 K40 K74 L75 Q78	Y37-F42 HydrophobicContact CD1-CB 3.47Å; Y37-F42 VanDerWaalsContact CD1-CB 3.47Å; Y37-F42 HydrophobicContact CD1-CD2 4.34Å; Y37-F42 HydrophobicContact CD1-CG 4.32Å; Y37-F42 HydrophobicContact CD2-CB 4.4Å; Y37-F42 AromaticContact CD2-CD2 3.77Å; Y37-F42 HydrophobicContact CD2-CD2 3.77Å; Y37-F42 HydrophobicContact CD2-CG 4.42Å; Y37-F42 HydrophobicContact CE1-CB 3.07Å; Y37-F42 HydrophobicContact CE1-CD2 4.16Å; Y37-F42 AromaticContact CE1-CG 3.85Å; Y37-F42 HydrophobicContact CE1-CG 3.85Å; Y37-F42 HydrophobicContact CE2-CB 4.01Å; Y37-F42 AromaticContact CE2-CD2 3.45Å; Y37-F42 HydrophobicContact CE2-CD2 3.45Å; Y37-F42 VanDerWaalsContact CE2-CD2 3.45Å; Y37-F42 HydrophobicContact CE2-CE2 4.11Å; Y37-F42 AromaticContact CE2-CG 3.86Å; Y37-F42 HydrophobicContact CE2-CG 3.86Å; Y37-F42 HydrophobicContact CG-CB 4.16Å; Y37-F42 HydrophobicContact CG-CD2 4.21Å; Y37-F42 AromaticContact CZ-CD2 3.67Å; Y37-F42 AromaticContact CZ-CG 3.54Å; Y37-F42 PolarHBondContact O-N 3Å; K40-F42 HydrophobicContact CB-CD2 3.75Å; K40-F42 HydrophobicContact CB-CE2 3.78Å; F42-K74 HydrophobicContact CD1-CB 4.4Å; F42-K74 HydrophobicContact CD1-CD 4.32Å; F42-K74 HydrophobicContact CE1-CB 4.07Å; F42-K74 HydrophobicContact CZ-CB 4.46Å; F42-L75 HydrophobicContact CE2-CD2 4.06Å; F42-Q78 HydrophobicContact CZ-CB 4.06Å; F42-Q78 HydrophobicContact CZ-CG 4.33Å
43	S	90.9	Very high	91.8	Very high	66 Å²	66	61.4 Å²	61.4	46%	0.462	36%	0.359	S	S	.	.			trans	-63.6	138.5	176.1	-179.9	0	0	0	0	111.6	Y37 A45	Y37-S43 WeakPolarHBondContact CE1-O 3.43Å; S43-A45 VanDerWaalsContact C-N 3.31Å; S43-A45 WeakPolarHBondContact OG-CB 3.48Å; S43-A45 PolarHBondContact OG-N 3.04Å
44	L	88.7	Confident	91.8	Very high	65 Å²	65	61.4 Å²	61.4	34%	0.34	36%	0.359	S	S	.	.	S	Bend	trans	-88.3	4.7	177.2	-52.6	-178.9	0	0	0	113.6	R34 D46 I47	R34-L44 HydrophobicContact CG-CD1 4.36Å; R34-L44 HydrophobicContact CG-CD2 4.02Å; R34-L44 PolarHBondContact NH1-O 3.12Å; R34-L44 VanDerWaalsContact NH2-CB 3.32Å; R34-L44 PolarHBondContact NH2-O 2.8Å; R34-L44 VanDerWaalsContact O-CD2 3.29Å; R34-L44 WeakPolarHBondContact O-CD2 3.32Å; L44-D46 VanDerWaalsContact C-N 3.35Å; L44-I47 HydrophobicContact CB-CD1 4.38Å; L44-I47 HydrophobicContact CD2-CD1 3.63Å
45	A	86.1	Confident	91.8	Very high	79 Å²	79	66.1 Å²	66.1	65%	0.653	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-38	-176.2	0	0	0	0	0	112.4	S43	S43-A45 VanDerWaalsContact C-N 3.31Å; S43-A45 WeakPolarHBondContact OG-CB 3.48Å; S43-A45 PolarHBondContact OG-N 3.04Å
46	D	77.8	Confident	91.9	Very high	52 Å²	52	61.8 Å²	61.8	28%	0.278	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	9.9	-166.8	-44.5	-47.4	0	0	0	113.3	L44 T68 K74	L44-D46 VanDerWaalsContact C-N 3.35Å; D46-T68 WeakPolarHBondContact O-CG2 3.18Å; D46-T68 PolarHBondContact O-OG1 2.94Å; D46-K74 IonicContact OD2-NZ 3.02Å
47	I	88.5	Confident	92	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.036	36%	0.355	C	S	.	.			trans	-95.6	121.4	-174.1	-47.8	179.6	0	0	0	110	R34 Y37 L44 M71	R34-I47 HydrophobicContact CB-CD1 4.3Å; R34-I47 HydrophobicContact CB-CG2 4.2Å; R34-I47 HydrophobicContact CG-CD1 4.1Å; Y37-I47 HydrophobicContact CD1-CD1 3.33Å; Y37-I47 HydrophobicContact CD1-CG1 4Å; Y37-I47 HydrophobicContact CE1-CD1 4.08Å; Y37-I47 HydrophobicContact CE1-CG1 4.28Å; Y37-I47 HydrophobicContact CG-CD1 3.94Å; L44-I47 HydrophobicContact CB-CD1 4.38Å; L44-I47 HydrophobicContact CD2-CD1 3.63Å; I47-M71 HydrophobicContact CB-CE 4.43Å; I47-M71 HydrophobicContact CB-SD 4.16Å; I47-M71 HydrophobicContact CD1-CE 4.36Å; I47-M71 HydrophobicContact CG1-CE 3.93Å; I47-M71 HydrophobicContact CG1-SD 3.85Å; I47-M71 HydrophobicContact CG2-CE 4.03Å; I47-M71 HydrophobicContact CG2-SD 4.17Å
48	P	91.6	Very high	92.1	Very high	22 Å²	22	69.7 Å²	69.7	14%	0.143	39%	0.389	C	S	.	.			trans	-56.4	144.1	172.8	-23	33.8	0	0	0	112	C30 Q50 I52 C66 T68	C30-P48 WeakPolarHBondContact CB-O 3.28Å; P48-Q50 VanDerWaalsContact CB-O 3.23Å; P48-Q50 WeakPolarHBondContact CB-O 3.38Å; P48-I52 HydrophobicContact CB-CG2 4.02Å; P48-I52 HydrophobicContact CG-CD1 3.75Å; P48-I52 HydrophobicContact CG-CG1 4.06Å; P48-I52 HydrophobicContact CG-CG2 4.3Å; P48-C66 WeakPolarHBondContact CD-O 3.44Å; P48-T68 HydrophobicContact CG-CG2 4.18Å
49	Y	90.9	Very high	92.2	Very high	177 Å²	177	70.1 Å²	70.1	69%	0.694	38%	0.384	S	S	*	.	S	Bend	trans	-76.2	-31	173.5	-71.4	-80.3	0	0	0	112.4	C30	C30-Y49 PolarHBondContact N-O 3.34Å
50	Q	93	Very high	92.3	Very high	119 Å²	119	66 Å²	66	56%	0.556	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-130.6	160.1	178.4	-67.7	179.1	-11.2	0	0	109.1	A27 R28 P48 I52	A27-Q50 HydrophobicContact CB-CB 4.11Å; R28-Q50 WeakPolarHBondContact O-CA 3.04Å; P48-Q50 VanDerWaalsContact CB-O 3.23Å; P48-Q50 WeakPolarHBondContact CB-O 3.38Å; Q50-I52 PolarHBondContact O-N 3.24Å
51	E	94.1	Very high	92.3	Very high	36 Å²	36	63.5 Å²	63.5	17%	0.168	34%	0.341	C	S	.	.			trans	-55.1	132.8	176	-72.8	175.1	167.7	0	0	111.6	R28 C30 T65	R28-E51 HydrophobicContact CB-CG 4.18Å; R28-E51 PolarHBondContact O-N 3.14Å; C30-E51 PolarHBondContact SG-N 3.32Å; E51-T65 CarbonylContact C-O 3.6Å; E51-T65 WeakPolarHBondContact CA-O 3.38Å
52	I	94.5	Very high	92.3	Very high	62 Å²	62	66.6 Å²	66.6	32%	0.318	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	165.1	175.4	59.2	169.4	0	0	0	110	P48 Q50 G54 Y64 T65	P48-I52 HydrophobicContact CB-CG2 4.02Å; P48-I52 HydrophobicContact CG-CD1 3.75Å; P48-I52 HydrophobicContact CG-CG1 4.06Å; P48-I52 HydrophobicContact CG-CG2 4.3Å; Q50-I52 PolarHBondContact O-N 3.24Å; I52-G54 PolarHBondContact O-N 2.04Å; I52-Y64 CarbonylContact O-C 3.59Å; I52-Y64 WeakPolarHBondContact O-CA 3Å; I52-T65 HydrophobicContact CG1-CG2 4Å; I52-T65 WeakPolarHBondContact CG1-O 3.25Å; I52-T65 PolarHBondContact N-O 2.96Å; I52-T65 PolarHBondContact O-N 3.24Å
53	A	94.7	Very high	92.2	Very high	57 Å²	57	69.2 Å²	69.2	47%	0.471	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132	171.6	0	0	0	0	0	110.5	H56	A53-H56 PolarHBondContact O-CE1 3.12Å; A53-H56 PolarHBondContact O-ND1 3.39Å
54	G	94.5	Very high	92.3	Very high	2 Å²	2	73.2 Å²	73.2	2%	0.021	36%	0.356	C	S	.	.			trans	-95.3	23.8	-174.1	0	0	0	0	0	116	I52 H56 L57 E63	I52-G54 PolarHBondContact O-N 2.04Å; G54-H56 PolarHBondContact O-N 3.3Å; G54-H56 VanDerWaalsContact O-N 3.15Å; G54-L57 WeakPolarHBondContact O-CB 3.49Å; G54-L57 WeakPolarHBondContact O-CG 3.36Å; G54-L57 PolarHBondContact O-N 3.14Å; G54-L57 VanDerWaalsContact O-N 3.08Å; G54-E63 WeakPolarHBondContact CA-O 3.35Å; G54-E63 PolarHBondContact N-O 3.41Å
55	E	95.6	Very high	92.6	Very high	164 Å²	164	70.1 Å²	70.1	77%	0.766	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.9	-179.8	-63	179	178.5	0	0	113.1	L57	E55-L57 VanDerWaalsContact C-N 3.32Å
56	H	95.2	Very high	93.1	Very high	60 Å²	60	66.4 Å²	66.4	28%	0.278	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.6	177.6	59.6	-85.5	0	0	0	114.5	A53 G54 C67 T69	A53-H56 PolarHBondContact O-CE1 3.12Å; A53-H56 PolarHBondContact O-ND1 3.39Å; G54-H56 PolarHBondContact O-N 3.3Å; G54-H56 VanDerWaalsContact O-N 3.15Å; H56-C67 PolarHBondContact NE2-O 3.47Å; H56-T69 PolarHBondContact CD2-N 3.11Å; H56-T69 PolarHBondContact CD2-OG1 3.5Å; H56-T69 PolarHBondContact O-OG1 3.46Å
57	L	96	Very high	94	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.016	30%	0.296	C	S	.	.			trans	-76.3	137.5	-179	-61.1	174.5	0	0	0	111.1	G54 E55 C60 Q62 T65 C67 E72	G54-L57 WeakPolarHBondContact O-CB 3.49Å; G54-L57 WeakPolarHBondContact O-CG 3.36Å; G54-L57 PolarHBondContact O-N 3.14Å; G54-L57 VanDerWaalsContact O-N 3.08Å; E55-L57 VanDerWaalsContact C-N 3.32Å; L57-C60 HydrophobicContact CD1-CB 4Å; L57-Q62 PolarHBondContact O-NE2 2.76Å; L57-T65 HydrophobicContact CD1-CG2 3.86Å; L57-T65 HydrophobicContact CG-CG2 4.36Å; L57-C67 HydrophobicContact CD2-CB 4.17Å; L57-E72 WeakPolarHBondContact CA-OE2 3.19Å; L57-E72 HydrophobicContact CD2-CB 4.38Å
58	R	95.5	Very high	94.3	Very high	187 Å²	187	65.2 Å²	65.2	71%	0.706	30%	0.304	S	S	*	.	S	Bend	trans	-105.1	-26.3	-178.1	-63.4	178.8	-179.4	158.9	-0	113.2	E72	R58-E72 PolarHBondContact N-OE1 3.42Å; R58-E72 PolarHBondContact N-OE2 2.89Å
59	I	95.8	Very high	94.4	Very high	35 Å²	35	66.1 Å²	66.1	18%	0.179	31%	0.309	C	S	.	.	S	Bend	trans	-116.7	-48	-173.3	-57.3	173.2	0	0	0	110.2	E72 R246 M249 K250	I59-E72 WeakPolarHBondContact CA-OE1 3.16Å; I59-E72 WeakPolarHBondContact CB-OE1 3.37Å; I59-E72 PolarHBondContact N-OE1 3.02Å; I59-R246 HydrophobicContact CD1-CG 4.26Å; I59-R246 HydrophobicContact CG1-CG 4.21Å; I59-R246 HydrophobicContact CG2-CB 4.38Å; I59-R246 VanDerWaalsContact CG2-O 3.23Å; I59-R246 WeakPolarHBondContact CG2-O 3.04Å; I59-M249 HydrophobicContact CB-CG 4.25Å; I59-M249 HydrophobicContact CD1-CB 4.14Å; I59-M249 HydrophobicContact CD1-CG 3.84Å; I59-M249 HydrophobicContact CG2-CB 4.03Å; I59-M249 HydrophobicContact CG2-CG 3.85Å; I59-K250 HydrophobicContact CG2-CB 4.23Å
60	C	95.6	Very high	94.6	Very high	5 Å²	5	62 Å²	62	3%	0.034	30%	0.296	C	S	.	.	S	Bend	trans	-75	154.4	179.1	-64.4	0	0	0	0	112.2	L57 Q62 E72 C254 C257	L57-C60 HydrophobicContact CD1-CB 4Å; C60-Q62 PolarHBondContact O-N 2.79Å; C60-E72 PolarHBondContact N-OE1 3.11Å; C60-C254 WeakPolarHBondContact CA-SG 3.45Å; C60-C254 HydrophobicContact CB-CB 3.93Å; C60-C254 WeakPolarHBondContact CB-SG 3.4Å; C60-C254 WeakPolarHBondContact SG-CA 3.22Å; C60-C254 WeakPolarHBondContact SG-CB 3.34Å; C60-C254 CovalentContact SG-SG 2.03Å; C60-C254 PolarHBondContact SG-SG 2.94Å; C60-C257 HydrophobicContact CB-CB 4.44Å
61	P	92.6	Very high	94.7	Very high	24 Å²	24	56.3 Å²	56.3	16%	0.156	27%	0.27	C	S	.	.			trans	-53.8	131.2	175.6	-25.6	34.5	0	0	0	112.1	E63	P61-E63 PolarHBondContact O-N 2.98Å
62	Q	93	Very high	94.8	Very high	134 Å²	134	54.6 Å²	54.6	63%	0.626	26%	0.262	S	S	*	.	S	Bend	trans	-76	70.4	-178.3	-66.5	-179.2	-15	0	0	111.5	L57 C60	L57-Q62 PolarHBondContact O-NE2 2.76Å; C60-Q62 PolarHBondContact O-N 2.79Å
63	E	90.9	Very high	94.8	Very high	97 Å²	97	54.8 Å²	54.8	45%	0.453	26%	0.264	S	S	.	.	S	Bend	trans	-124.9	-170.8	176.3	-67	-176	-136.2	0	0	110.1	G54 P61 T65 R258	G54-E63 WeakPolarHBondContact CA-O 3.35Å; G54-E63 PolarHBondContact N-O 3.41Å; P61-E63 PolarHBondContact O-N 2.98Å; E63-T65 PolarHBondContact O-N 3.41Å; E63-R258 VanDerWaalsContact CD-CZ 3.49Å; E63-R258 VanDerWaalsContact CD-NH1 3.31Å; E63-R258 IonicContact OE1-CZ 3.49Å; E63-R258 IonicContact OE1-NH1 3.84Å; E63-R258 IonicContact OE1-NH2 3.64Å; E63-R258 PolarHBondContact OE1-NH2 3.5Å; E63-R258 IonicContact OE2-CZ 2.95Å; E63-R258 IonicContact OE2-NH1 3.85Å; E63-R258 PolarHBondContact OE2-NH1 3.24Å; E63-R258 IonicContact OE2-NH2 2.63Å; E63-R258 PolarHBondContact OE2-NH2 2.97Å
64	Y	93.9	Very high	94.9	Very high	150 Å²	150	54.5 Å²	54.5	59%	0.588	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	132.7	170.2	-74.7	-76.4	0	0	0	111	I52	I52-Y64 CarbonylContact O-C 3.59Å; I52-Y64 WeakPolarHBondContact O-CA 3Å
65	T	95.5	Very high	95	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.5	-168.3	-170.5	0	0	0	0	114.2	E51 I52 L57 E63 C67 C257	E51-T65 CarbonylContact C-O 3.6Å; E51-T65 WeakPolarHBondContact CA-O 3.38Å; I52-T65 HydrophobicContact CG1-CG2 4Å; I52-T65 WeakPolarHBondContact CG1-O 3.25Å; I52-T65 PolarHBondContact N-O 2.96Å; I52-T65 PolarHBondContact O-N 3.24Å; L57-T65 HydrophobicContact CD1-CG2 3.86Å; L57-T65 HydrophobicContact CG-CG2 4.36Å; E63-T65 PolarHBondContact O-N 3.41Å; T65-C67 WeakPolarHBondContact CG2-O 3.09Å; T65-C67 PolarHBondContact OG1-N 3.31Å; T65-C67 VanDerWaalsContact OG1-N 3.09Å; T65-C257 CarbonylContact C-O 3.55Å; T65-C257 WeakPolarHBondContact CA-O 3.38Å; T65-C257 WeakPolarHBondContact CB-O 3.49Å; T65-C257 WeakPolarHBondContact OG1-CB 3.41Å; T65-C257 PolarHBondContact OG1-O 2.97Å
66	C	95.9	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-98.6	8.1	168.4	-68.2	0	0	0	0	113.7	C30 V33 P48 C257	C30-C66 WeakPolarHBondContact CA-SG 3.44Å; C30-C66 HydrophobicContact CB-CB 3.69Å; C30-C66 WeakPolarHBondContact CB-SG 3.39Å; C30-C66 WeakPolarHBondContact SG-CA 3.23Å; C30-C66 WeakPolarHBondContact SG-CB 3.31Å; C30-C66 CovalentContact SG-SG 2.03Å; C30-C66 PolarHBondContact SG-SG 2.86Å; V33-C66 HydrophobicContact CB-CB 4.07Å; V33-C66 HydrophobicContact CG1-CB 3.99Å; V33-C66 HydrophobicContact CG2-CB 3.89Å; P48-C66 WeakPolarHBondContact CD-O 3.44Å; C66-C257 PolarHBondContact N-O 3.15Å
67	C	95.8	Very high	95.1	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.237	C	C	.	.			trans	-110.6	136.5	-179	-73.4	0	0	0	0	111.8	H56 L57 T65 M71 C257	H56-C67 PolarHBondContact NE2-O 3.47Å; L57-C67 HydrophobicContact CD2-CB 4.17Å; T65-C67 WeakPolarHBondContact CG2-O 3.09Å; T65-C67 PolarHBondContact OG1-N 3.31Å; T65-C67 VanDerWaalsContact OG1-N 3.09Å; C67-M71 HydrophobicContact CB-CB 4.25Å; C67-C257 HydrophobicContact CB-CB 3.66Å; C67-C257 WeakPolarHBondContact CB-SG 3.38Å; C67-C257 WeakPolarHBondContact SG-CA 3.28Å; C67-C257 WeakPolarHBondContact SG-CB 3.44Å; C67-C257 CovalentContact SG-SG 2.04Å; C67-C257 PolarHBondContact SG-SG 3.46Å
68	T	95.1	Very high	95.2	Very high	34 Å²	34	53 Å²	53	21%	0.209	25%	0.246	C	C	.	.			trans	-86.8	169.2	161.7	60	0	0	0	0	110.6	D46 P48 E70 M71 E72	D46-T68 WeakPolarHBondContact O-CG2 3.18Å; D46-T68 PolarHBondContact O-OG1 2.94Å; P48-T68 HydrophobicContact CG-CG2 4.18Å; T68-E70 PolarHBondContact O-N 3.46Å; T68-M71 WeakPolarHBondContact O-CB 3.33Å; T68-M71 PolarHBondContact O-N 2.81Å; T68-M71 VanDerWaalsContact O-N 3.16Å; T68-M71 WeakPolarHBondContact OG1-CG 3.41Å; T68-M71 PolarHBondContact OG1-N 2.68Å; T68-E72 PolarHBondContact O-N 3.4Å
69	T	94.8	Very high	95.2	Very high	41 Å²	41	44.1 Å²	44.1	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-56.5	-40.2	173.6	-53.5	0	0	0	0	111.7	H56 M71 E72 D73	H56-T69 PolarHBondContact CD2-N 3.11Å; H56-T69 PolarHBondContact CD2-OG1 3.5Å; H56-T69 PolarHBondContact O-OG1 3.46Å; T69-M71 PolarHBondContact O-N 2.92Å; T69-E72 PolarHBondContact O-N 2.93Å; T69-D73 PolarHBondContact O-N 3.33Å
70	E	94.2	Very high	95.3	Very high	90 Å²	90	45.7 Å²	45.7	42%	0.421	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-38.2	177.9	-176.7	174.1	-179.3	0	0	112.3	T68 K74	T68-E70 PolarHBondContact O-N 3.46Å; E70-K74 HydrophobicContact CG-CD 4.2Å; E70-K74 WeakPolarHBondContact O-CB 3.29Å; E70-K74 WeakPolarHBondContact O-CG 3.33Å; E70-K74 PolarHBondContact O-N 3.4Å; E70-K74 WeakPolarHBondContact OE1-CE 3.21Å; E70-K74 IonicContact OE1-NZ 2.87Å; E70-K74 PolarHBondContact OE1-NZ 3.05Å
71	M	95.4	Very high	95.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-44.2	172.8	-69.7	176.1	69.5	0	0	111.3	V33 Y37 I47 C67 T68 T69 D73 K74 L75	V33-M71 HydrophobicContact CG1-CE 4.4Å; Y37-M71 HydrophobicContact CD1-CE 4.37Å; Y37-M71 HydrophobicContact CD2-CE 3.98Å; Y37-M71 HydrophobicContact CE1-CE 4.45Å; Y37-M71 HydrophobicContact CE1-CG 4.34Å; Y37-M71 HydrophobicContact CE2-CB 4.39Å; Y37-M71 HydrophobicContact CE2-CE 4.17Å; Y37-M71 HydrophobicContact CE2-CG 4.35Å; Y37-M71 HydrophobicContact CG-CE 4.09Å; I47-M71 HydrophobicContact CB-CE 4.43Å; I47-M71 HydrophobicContact CB-SD 4.16Å; I47-M71 HydrophobicContact CD1-CE 4.36Å; I47-M71 HydrophobicContact CG1-CE 3.93Å; I47-M71 HydrophobicContact CG1-SD 3.85Å; I47-M71 HydrophobicContact CG2-CE 4.03Å; I47-M71 HydrophobicContact CG2-SD 4.17Å; C67-M71 HydrophobicContact CB-CB 4.25Å; T68-M71 WeakPolarHBondContact O-CB 3.33Å; T68-M71 PolarHBondContact O-N 2.81Å; T68-M71 VanDerWaalsContact O-N 3.16Å; T68-M71 WeakPolarHBondContact OG1-CG 3.41Å; T68-M71 PolarHBondContact OG1-N 2.68Å; T69-M71 PolarHBondContact O-N 2.92Å; M71-D73 PolarHBondContact O-N 2.77Å; M71-K74 PolarHBondContact O-N 2.91Å; M71-L75 WeakPolarHBondContact O-CB 3.34Å; M71-L75 VanDerWaalsContact O-CG 3.23Å; M71-L75 WeakPolarHBondContact O-CG 3.36Å; M71-L75 PolarHBondContact O-N 2.99Å
72	E	95.9	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-44.2	179.3	-166	179.6	-142.8	0	0	111.3	L57 R58 I59 C60 T68 T69 L75 S76 M249	L57-E72 WeakPolarHBondContact CA-OE2 3.19Å; L57-E72 HydrophobicContact CD2-CB 4.38Å; R58-E72 PolarHBondContact N-OE1 3.42Å; R58-E72 PolarHBondContact N-OE2 2.89Å; I59-E72 WeakPolarHBondContact CA-OE1 3.16Å; I59-E72 WeakPolarHBondContact CB-OE1 3.37Å; I59-E72 PolarHBondContact N-OE1 3.02Å; C60-E72 PolarHBondContact N-OE1 3.11Å; T68-E72 PolarHBondContact O-N 3.4Å; T69-E72 PolarHBondContact O-N 2.93Å; E72-L75 PolarHBondContact O-N 2.74Å; E72-S76 VanDerWaalsContact O-CB 3.25Å; E72-S76 WeakPolarHBondContact O-CB 3.29Å; E72-S76 PolarHBondContact O-N 3.16Å; E72-M249 HydrophobicContact CB-CE 4.36Å; E72-M249 HydrophobicContact CG-CE 3.72Å
73	D	95.7	Very high	95.6	Very high	66 Å²	66	44.4 Å²	44.4	35%	0.353	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-44.5	177.9	-74	-23.9	0	0	0	112.2	T69 M71 S76 Q77	T69-D73 PolarHBondContact O-N 3.33Å; M71-D73 PolarHBondContact O-N 2.77Å; D73-S76 WeakPolarHBondContact O-CB 3.44Å; D73-S76 PolarHBondContact O-N 3.33Å; D73-Q77 WeakPolarHBondContact O-CG 3.41Å; D73-Q77 PolarHBondContact O-N 3.39Å
74	K	95.8	Very high	95.9	Very high	52 Å²	52	42.2 Å²	42.2	23%	0.226	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-42.7	177.2	-74.4	172.7	-176.2	166.5	0	112	Y37 F42 D46 E70 M71 S76 Q77 Q78	Y37-K74 VanDerWaalsContact OH-CD 3.28Å; Y37-K74 WeakPolarHBondContact OH-CD 3.26Å; F42-K74 HydrophobicContact CD1-CB 4.4Å; F42-K74 HydrophobicContact CD1-CD 4.32Å; F42-K74 HydrophobicContact CE1-CB 4.07Å; F42-K74 HydrophobicContact CZ-CB 4.46Å; D46-K74 IonicContact OD2-NZ 3.02Å; E70-K74 HydrophobicContact CG-CD 4.2Å; E70-K74 WeakPolarHBondContact O-CB 3.29Å; E70-K74 WeakPolarHBondContact O-CG 3.33Å; E70-K74 PolarHBondContact O-N 3.4Å; E70-K74 WeakPolarHBondContact OE1-CE 3.21Å; E70-K74 IonicContact OE1-NZ 2.87Å; E70-K74 PolarHBondContact OE1-NZ 3.05Å; M71-K74 PolarHBondContact O-N 2.91Å; K74-S76 VanDerWaalsContact C-N 3.31Å; K74-Q77 PolarHBondContact O-N 3.02Å; K74-Q78 PolarHBondContact O-N 3.17Å
75	L	96.4	Very high	96	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-33	177.1	-70.5	169.8	0	0	0	112	Y37 F42 M71 E72 Q78 S79 M249 Y253	Y37-L75 HydrophobicContact CD2-CD1 4.26Å; Y37-L75 HydrophobicContact CD2-CD2 3.92Å; Y37-L75 HydrophobicContact CD2-CG 4.26Å; Y37-L75 HydrophobicContact CE2-CD1 4.08Å; Y37-L75 HydrophobicContact CE2-CD2 3.8Å; Y37-L75 HydrophobicContact CE2-CG 3.8Å; F42-L75 HydrophobicContact CE2-CD2 4.06Å; M71-L75 WeakPolarHBondContact O-CB 3.34Å; M71-L75 VanDerWaalsContact O-CG 3.23Å; M71-L75 WeakPolarHBondContact O-CG 3.36Å; M71-L75 PolarHBondContact O-N 2.99Å; E72-L75 PolarHBondContact O-N 2.74Å; L75-Q78 WeakPolarHBondContact O-CB 3.39Å; L75-Q78 PolarHBondContact O-N 3.14Å; L75-S79 PolarHBondContact O-N 3.21Å; L75-M249 HydrophobicContact CB-CE 3.52Å; L75-M249 HydrophobicContact CB-SD 3.55Å; L75-M249 VanDerWaalsContact CB-SD 3.55Å; L75-M249 HydrophobicContact CD1-CE 4.19Å; L75-M249 HydrophobicContact CG-CE 4.49Å; L75-Y253 HydrophobicContact CB-CD2 4.1Å; L75-Y253 HydrophobicContact CB-CG 4.02Å; L75-Y253 HydrophobicContact CD2-CD1 3.77Å; L75-Y253 HydrophobicContact CD2-CD2 4.35Å; L75-Y253 HydrophobicContact CD2-CE1 4.12Å; L75-Y253 HydrophobicContact CD2-CG 3.91Å; L75-Y253 HydrophobicContact CG-CG 4.38Å; L75-Y253 VanDerWaalsContact O-CD2 3.32Å; L75-Y253 WeakPolarHBondContact O-CD2 3.4Å
76	S	97.3	Very high	96	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-39.8	174.1	-175.9	0	0	0	0	112.1	E72 D73 K74 Q78 S79 K80 I245 M249	E72-S76 VanDerWaalsContact O-CB 3.25Å; E72-S76 WeakPolarHBondContact O-CB 3.29Å; E72-S76 PolarHBondContact O-N 3.16Å; D73-S76 WeakPolarHBondContact O-CB 3.44Å; D73-S76 PolarHBondContact O-N 3.33Å; K74-S76 VanDerWaalsContact C-N 3.31Å; S76-Q78 VanDerWaalsContact C-N 3.35Å; S76-S79 PolarHBondContact O-N 3.16Å; S76-S79 PolarHBondContact O-OG 3.35Å; S76-K80 PolarHBondContact O-N 3.35Å; S76-I245 WeakPolarHBondContact OG-CG2 3.21Å; S76-M249 PolarHBondContact N-SD 3.28Å; S76-M249 VanDerWaalsContact N-SD 3.39Å
77	Q	96.8	Very high	96	Very high	136 Å²	136	40.8 Å²	40.8	64%	0.636	20%	0.204	S	C	*	.	H	α-helix	trans	-66.4	-38.6	172	-68.6	178.2	8.1	0	0	111.8	D73 K74 K80 L81	D73-Q77 WeakPolarHBondContact O-CG 3.41Å; D73-Q77 PolarHBondContact O-N 3.39Å; K74-Q77 PolarHBondContact O-N 3.02Å; Q77-K80 WeakPolarHBondContact O-CB 3.48Å; Q77-K80 PolarHBondContact O-N 3.22Å; Q77-L81 WeakPolarHBondContact O-CG 3.31Å; Q77-L81 PolarHBondContact O-N 3.36Å; Q77-L81 VanDerWaalsContact O-N 3.13Å
78	Q	96.3	Very high	95.9	Very high	46 Å²	46	44.7 Å²	44.7	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-43.1	175.9	-174.3	63.5	22	0	0	112.2	F42 K74 L75 S76 K80 L81 E82 Y253	F42-Q78 HydrophobicContact CZ-CB 4.06Å; F42-Q78 HydrophobicContact CZ-CG 4.33Å; K74-Q78 PolarHBondContact O-N 3.17Å; L75-Q78 WeakPolarHBondContact O-CB 3.39Å; L75-Q78 PolarHBondContact O-N 3.14Å; S76-Q78 VanDerWaalsContact C-N 3.35Å; Q78-K80 VanDerWaalsContact C-N 3.28Å; Q78-K80 PolarHBondContact O-N 3.33Å; Q78-L81 PolarHBondContact O-N 2.85Å; Q78-E82 PolarHBondContact NE2-OE1 2.84Å; Q78-E82 WeakPolarHBondContact O-CG 3.49Å; Q78-E82 PolarHBondContact O-N 3.29Å; Q78-Y253 HydrophobicContact CB-CE2 4.14Å; Q78-Y253 HydrophobicContact CG-CE2 4.01Å; Q78-Y253 WeakPolarHBondContact CG-OH 3.22Å
79	S	96.7	Very high	95.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-36.5	178.9	67.4	0	0	0	0	111.8	L75 S76 F83 M249	L75-S79 PolarHBondContact O-N 3.21Å; S76-S79 PolarHBondContact O-N 3.16Å; S76-S79 PolarHBondContact O-OG 3.35Å; S79-F83 WeakPolarHBondContact O-CB 3.19Å; S79-F83 PolarHBondContact O-N 3.2Å; S79-M249 PolarHBondContact OG-N 3.09Å
80	K	97.2	Very high	95.9	Very high	68 Å²	68	49 Å²	49	30%	0.296	24%	0.24	S	C	.	.	H	α-helix	trans	-59.3	-53.2	171.7	178.2	-173.3	172	-171.6	0	111.6	S76 Q77 Q78 E82 F83 E84 P240 I245	S76-K80 PolarHBondContact O-N 3.35Å; Q77-K80 WeakPolarHBondContact O-CB 3.48Å; Q77-K80 PolarHBondContact O-N 3.22Å; Q78-K80 VanDerWaalsContact C-N 3.28Å; Q78-K80 PolarHBondContact O-N 3.33Å; K80-E82 VanDerWaalsContact C-N 3.33Å; K80-E82 PolarHBondContact O-N 2.82Å; K80-F83 WeakPolarHBondContact O-CB 3.5Å; K80-F83 PolarHBondContact O-N 3.37Å; K80-E84 WeakPolarHBondContact CE-OE1 3.42Å; K80-E84 IonicContact NZ-OE1 3.95Å; K80-E84 WeakPolarHBondContact O-CG 3.49Å; K80-E84 PolarHBondContact O-N 3.47Å; K80-P240 HydrophobicContact CD-CG 4.43Å; K80-P240 HydrophobicContact CG-CG 3.79Å; K80-I245 HydrophobicContact CB-CG1 4.43Å; K80-I245 HydrophobicContact CD-CD1 4.08Å; K80-I245 HydrophobicContact CG-CD1 4.48Å; K80-I245 HydrophobicContact CG-CG1 4.41Å
81	L	96.3	Very high	95.9	Very high	88 Å²	88	44.7 Å²	44.7	46%	0.461	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-39.9	-178	-69	173.5	0	0	0	111.8	Q77 Q78 E84 N85	Q77-L81 WeakPolarHBondContact O-CG 3.31Å; Q77-L81 PolarHBondContact O-N 3.36Å; Q77-L81 VanDerWaalsContact O-N 3.13Å; Q78-L81 PolarHBondContact O-N 2.85Å; L81-E84 PolarHBondContact O-N 3.02Å; L81-N85 WeakPolarHBondContact O-CB 3.45Å; L81-N85 VanDerWaalsContact O-CG 3.25Å; L81-N85 PolarHBondContact O-N 3.25Å; L81-N85 PolarHBondContact O-ND2 3Å
82	E	95.6	Very high	96	Very high	42 Å²	42	49.4 Å²	49.4	20%	0.196	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-39.6	176.2	-75.2	179.2	-174.3	0	0	112.2	K40 Q78 K80 N85 L86 Y253	K40-E82 IonicContact NZ-OE1 3.65Å; K40-E82 PolarHBondContact NZ-OE1 2.87Å; K40-E82 IonicContact NZ-OE2 3.37Å; Q78-E82 PolarHBondContact NE2-OE1 2.84Å; Q78-E82 WeakPolarHBondContact O-CG 3.49Å; Q78-E82 PolarHBondContact O-N 3.29Å; K80-E82 VanDerWaalsContact C-N 3.33Å; K80-E82 PolarHBondContact O-N 2.82Å; E82-N85 PolarHBondContact O-N 3.26Å; E82-L86 WeakPolarHBondContact O-CB 3.49Å; E82-L86 VanDerWaalsContact O-CG 3.23Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 3.01Å; E82-Y253 PolarHBondContact OE1-OH 3.19Å; E82-Y253 PolarHBondContact OE2-OH 3.21Å
83	F	96.8	Very high	95.9	Very high	5 Å²	5	53.3 Å²	53.3	2%	0.022	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-46.8	173.2	170.6	-97.4	0	0	0	112.4	S79 K80 N85 L86 V87 P240 L248 M274 C277 L278	S79-F83 WeakPolarHBondContact O-CB 3.19Å; S79-F83 PolarHBondContact O-N 3.2Å; K80-F83 WeakPolarHBondContact O-CB 3.5Å; K80-F83 PolarHBondContact O-N 3.37Å; F83-N85 VanDerWaalsContact C-N 3.3Å; F83-N85 PolarHBondContact O-N 3.17Å; F83-L86 PolarHBondContact O-N 3.3Å; F83-V87 HydrophobicContact CD1-CG2 4.47Å; F83-V87 HydrophobicContact CD2-CG2 4.3Å; F83-V87 HydrophobicContact CE1-CG2 4.04Å; F83-V87 HydrophobicContact CE2-CG2 3.86Å; F83-V87 HydrophobicContact CZ-CG2 3.72Å; F83-V87 WeakPolarHBondContact O-CG2 3.33Å; F83-V87 PolarHBondContact O-N 2.92Å; F83-P240 HydrophobicContact CD1-CB 3.99Å; F83-P240 HydrophobicContact CD1-CG 4Å; F83-P240 HydrophobicContact CE1-CB 3.85Å; F83-P240 HydrophobicContact CE1-CG 4.25Å; F83-L248 HydrophobicContact CB-CD1 3.51Å; F83-L248 HydrophobicContact CB-CD2 4.11Å; F83-L248 HydrophobicContact CB-CG 4.45Å; F83-L248 HydrophobicContact CD1-CD1 4.06Å; F83-L248 HydrophobicContact CD2-CD1 3.95Å; F83-L248 HydrophobicContact CD2-CD2 3.83Å; F83-L248 HydrophobicContact CG-CD1 3.56Å; F83-L248 HydrophobicContact CG-CD2 4.2Å; F83-M274 HydrophobicContact CD2-CE 4.24Å; F83-M274 HydrophobicContact CD2-SD 3.74Å; F83-M274 HydrophobicContact CE2-SD 3.66Å; F83-C277 HydrophobicContact CE2-CB 3.95Å; F83-C277 HydrophobicContact CZ-CB 3.9Å; F83-L278 HydrophobicContact CE2-CD2 4.33Å; F83-L278 HydrophobicContact CE2-CG 4.3Å; F83-L278 HydrophobicContact CZ-CD2 3.7Å; F83-L278 HydrophobicContact CZ-CG 4.07Å
84	E	96.7	Very high	95.9	Very high	52 Å²	52	50.2 Å²	50.2	24%	0.243	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-43.6	177.6	-72.5	174.1	162.8	0	0	110.9	K80 L81 V87 E88 P240	K80-E84 WeakPolarHBondContact CE-OE1 3.42Å; K80-E84 IonicContact NZ-OE1 3.95Å; K80-E84 WeakPolarHBondContact O-CG 3.49Å; K80-E84 PolarHBondContact O-N 3.47Å; L81-E84 PolarHBondContact O-N 3.02Å; E84-V87 PolarHBondContact O-N 3.46Å; E84-E88 WeakPolarHBondContact O-CB 3.32Å; E84-E88 PolarHBondContact O-N 3.36Å; E84-P240 WeakPolarHBondContact OE1-CD 3.37Å
85	N	95.4	Very high	96	Very high	85 Å²	85	49 Å²	49	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-42.5	175.3	-69.9	-25.6	0	0	0	112.7	L81 E82 F83 V87 E88 E89	L81-N85 WeakPolarHBondContact O-CB 3.45Å; L81-N85 VanDerWaalsContact O-CG 3.25Å; L81-N85 PolarHBondContact O-N 3.25Å; L81-N85 PolarHBondContact O-ND2 3Å; E82-N85 PolarHBondContact O-N 3.26Å; F83-N85 VanDerWaalsContact C-N 3.3Å; F83-N85 PolarHBondContact O-N 3.17Å; N85-V87 VanDerWaalsContact C-N 3.35Å; N85-V87 PolarHBondContact O-N 2.86Å; N85-E88 PolarHBondContact O-N 3.24Å; N85-E89 WeakPolarHBondContact O-CB 3.43Å; N85-E89 WeakPolarHBondContact O-CG 3.2Å; N85-E89 PolarHBondContact O-N 3.47Å
86	L	95.7	Very high	96	Very high	27 Å²	27	51.7 Å²	51.7	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-42	177.9	-75.8	167.9	0	0	0	111.8	E82 F83 T90 I406 V412	E82-L86 WeakPolarHBondContact O-CB 3.49Å; E82-L86 VanDerWaalsContact O-CG 3.23Å; E82-L86 WeakPolarHBondContact O-CG 3.44Å; E82-L86 PolarHBondContact O-N 3.01Å; F83-L86 PolarHBondContact O-N 3.3Å; L86-T90 WeakPolarHBondContact O-CB 3.3Å; L86-T90 PolarHBondContact O-N 3.04Å; L86-T90 PolarHBondContact O-OG1 3.19Å; L86-I406 HydrophobicContact CB-CG2 4.29Å; L86-I406 HydrophobicContact CD1-CG2 4.07Å; L86-V412 HydrophobicContact CD1-CG2 3.95Å; L86-V412 HydrophobicContact CD2-CG2 3.76Å
87	V	96	Very high	96	Very high	8 Å²	8	51.6 Å²	51.6	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-41.9	175	174.5	0	0	0	0	110.4	F83 E84 N85 S91 L278 I406	F83-V87 HydrophobicContact CD1-CG2 4.47Å; F83-V87 HydrophobicContact CD2-CG2 4.3Å; F83-V87 HydrophobicContact CE1-CG2 4.04Å; F83-V87 HydrophobicContact CE2-CG2 3.86Å; F83-V87 HydrophobicContact CZ-CG2 3.72Å; F83-V87 WeakPolarHBondContact O-CG2 3.33Å; F83-V87 PolarHBondContact O-N 2.92Å; E84-V87 PolarHBondContact O-N 3.46Å; N85-V87 VanDerWaalsContact C-N 3.35Å; N85-V87 PolarHBondContact O-N 2.86Å; V87-S91 WeakPolarHBondContact O-CB 3.31Å; V87-S91 PolarHBondContact O-N 3.03Å; V87-S91 PolarHBondContact O-OG 3.32Å; V87-L278 HydrophobicContact CG2-CD2 4.04Å; V87-I406 HydrophobicContact CG2-CD1 4.16Å
88	E	94.1	Very high	96	Very high	82 Å²	82	45.2 Å²	45.2	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-48.7	177.4	-176	164.4	-165.9	0	0	112.1	E84 N85 S91 H92 R95	E84-E88 WeakPolarHBondContact O-CB 3.32Å; E84-E88 PolarHBondContact O-N 3.36Å; N85-E88 PolarHBondContact O-N 3.24Å; E88-S91 PolarHBondContact O-N 3.32Å; E88-S91 PolarHBondContact O-OG 2.96Å; E88-H92 PolarHBondContact O-N 2.92Å; E88-R95 PolarHBondContact O-NH2 2.98Å; E88-R95 IonicContact OE1-CZ 2.71Å; E88-R95 IonicContact OE1-NH1 3.08Å; E88-R95 PolarHBondContact OE1-NH1 2.93Å; E88-R95 IonicContact OE1-NH2 3.69Å; E88-R95 PolarHBondContact OE1-NH2 3.35Å
89	E	94.7	Very high	96	Very high	128 Å²	128	46.1 Å²	46.1	60%	0.598	23%	0.23	S	C	*	.	H	α-helix	trans	-62.6	-47.5	178.1	-74.2	-178.5	-178.8	0	0	111.2	N85 S91 H92	N85-E89 WeakPolarHBondContact O-CB 3.43Å; N85-E89 WeakPolarHBondContact O-CG 3.2Å; N85-E89 PolarHBondContact O-N 3.47Å; E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S91 PolarHBondContact O-N 3.23Å; E89-H92 WeakPolarHBondContact O-CB 3.44Å; E89-H92 PolarHBondContact O-N 3.38Å; E89-H92 VanDerWaalsContact O-N 3.11Å
90	T	94.7	Very high	96	Very high	37 Å²	37	48.1 Å²	48.1	23%	0.227	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-35.5	-178.7	-54.4	0	0	0	0	111.8	L86 H92 L402 T405 I406	L86-T90 WeakPolarHBondContact O-CB 3.3Å; L86-T90 PolarHBondContact O-N 3.04Å; L86-T90 PolarHBondContact O-OG1 3.19Å; T90-H92 VanDerWaalsContact C-N 3.33Å; T90-L402 HydrophobicContact CG2-CD2 3.46Å; T90-L402 VanDerWaalsContact CG2-CD2 3.46Å; T90-T405 HydrophobicContact CG2-CG2 3.62Å; T90-I406 HydrophobicContact CG2-CG1 4.24Å; T90-I406 WeakPolarHBondContact OG1-CG1 3.49Å
91	S	95.4	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.6	176.1	66.7	0	0	0	0	114.1	V87 E88 E89 F93 V94 R95 S236	V87-S91 WeakPolarHBondContact O-CB 3.31Å; V87-S91 PolarHBondContact O-N 3.03Å; V87-S91 PolarHBondContact O-OG 3.32Å; E88-S91 PolarHBondContact O-N 3.32Å; E88-S91 PolarHBondContact O-OG 2.96Å; E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S91 PolarHBondContact O-N 3.23Å; S91-F93 VanDerWaalsContact C-N 3.33Å; S91-F93 PolarHBondContact O-N 3.49Å; S91-V94 WeakPolarHBondContact O-CG1 3.31Å; S91-V94 PolarHBondContact O-N 2.91Å; S91-R95 WeakPolarHBondContact O-CG 3.45Å; S91-R95 PolarHBondContact O-N 3.44Å; S91-R95 VanDerWaalsContact O-N 3.16Å; S91-R95 PolarHBondContact OG-NE 3.35Å; S91-S236 VanDerWaalsContact OG-CB 3.27Å; S91-S236 WeakPolarHBondContact OG-CB 3.28Å
92	H	95.8	Very high	96	Very high	100 Å²	100	43.8 Å²	43.8	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-57.9	-42.8	-176.2	177.5	-91.3	0	0	0	112.8	E88 E89 T90 V94 R95 T96	E88-H92 PolarHBondContact O-N 2.92Å; E89-H92 WeakPolarHBondContact O-CB 3.44Å; E89-H92 PolarHBondContact O-N 3.38Å; E89-H92 VanDerWaalsContact O-N 3.11Å; T90-H92 VanDerWaalsContact C-N 3.33Å; H92-V94 PolarHBondContact O-N 2.98Å; H92-R95 PolarHBondContact O-N 2.84Å; H92-T96 VanDerWaalsContact NE2-CG2 3.34Å; H92-T96 WeakPolarHBondContact NE2-CG2 3.17Å; H92-T96 WeakPolarHBondContact O-CB 3.5Å; H92-T96 WeakPolarHBondContact O-CG2 3.41Å; H92-T96 PolarHBondContact O-N 2.92Å; H92-T96 PolarHBondContact O-OG1 3.36Å
93	F	95.3	Very high	96	Very high	81 Å²	81	47.4 Å²	47.4	36%	0.355	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-50.3	-179.6	171.3	-100.5	0	0	0	111.8	S91 T96 T97 K391 L394	S91-F93 VanDerWaalsContact C-N 3.33Å; S91-F93 PolarHBondContact O-N 3.49Å; F93-T96 PolarHBondContact O-OG1 3.49Å; F93-T97 WeakPolarHBondContact O-CB 3.41Å; F93-T97 PolarHBondContact O-N 2.89Å; F93-T97 PolarHBondContact O-OG1 3.45Å; F93-K391 HydrophobicContact CE2-CD 4.31Å; F93-K391 HydrophobicContact CZ-CD 4.13Å; F93-L394 HydrophobicContact CE1-CB 3.88Å; F93-L394 HydrophobicContact CZ-CB 3.92Å; F93-L394 HydrophobicContact CZ-CD1 4.01Å
94	V	95.9	Very high	95.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-45.6	-178	63.5	0	0	0	0	110.7	S91 H92 T96 T97 F98 A232 W288 V398	S91-V94 WeakPolarHBondContact O-CG1 3.31Å; S91-V94 PolarHBondContact O-N 2.91Å; H92-V94 PolarHBondContact O-N 2.98Å; V94-T96 PolarHBondContact O-N 3.28Å; V94-T97 PolarHBondContact O-N 3.47Å; V94-F98 HydrophobicContact CG2-CD2 3.78Å; V94-F98 HydrophobicContact CG2-CE2 3.79Å; V94-F98 WeakPolarHBondContact O-CD2 3.39Å; V94-F98 PolarHBondContact O-N 2.93Å; V94-F98 VanDerWaalsContact O-N 3.09Å; V94-A232 HydrophobicContact CG1-CB 4.39Å; V94-A232 HydrophobicContact CG2-CB 4.22Å; V94-W288 HydrophobicContact CG2-CH2 3.94Å; V94-W288 HydrophobicContact CG2-CZ2 3.63Å; V94-V398 HydrophobicContact CB-CG2 4.28Å; V94-V398 HydrophobicContact CG1-CG2 4.07Å
95	R	96.2	Very high	95.8	Very high	26 Å²	26	49.4 Å²	49.4	10%	0.098	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-54.6	178.8	-69.3	-176.3	-63.1	139.2	2.2	112.1	E88 S91 H92 T97 F98 V99 A232 N233 S236	E88-R95 PolarHBondContact O-NH2 2.98Å; E88-R95 IonicContact OE1-CZ 2.71Å; E88-R95 IonicContact OE1-NH1 3.08Å; E88-R95 PolarHBondContact OE1-NH1 2.93Å; E88-R95 IonicContact OE1-NH2 3.69Å; E88-R95 PolarHBondContact OE1-NH2 3.35Å; S91-R95 WeakPolarHBondContact O-CG 3.45Å; S91-R95 PolarHBondContact O-N 3.44Å; S91-R95 VanDerWaalsContact O-N 3.16Å; S91-R95 PolarHBondContact OG-NE 3.35Å; H92-R95 PolarHBondContact O-N 2.84Å; R95-T97 VanDerWaalsContact C-N 3.34Å; R95-T97 PolarHBondContact O-N 3.46Å; R95-F98 PolarHBondContact O-N 3.29Å; R95-V99 VanDerWaalsContact O-CG2 3.3Å; R95-V99 WeakPolarHBondContact O-CG2 3.38Å; R95-V99 PolarHBondContact O-N 3.34Å; R95-V99 VanDerWaalsContact O-N 3.1Å; R95-A232 HydrophobicContact CG-CB 4.15Å; R95-N233 WeakPolarHBondContact CD-OD1 3.49Å; R95-N233 WeakPolarHBondContact CG-OD1 3.27Å; R95-S236 WeakPolarHBondContact CD-OG 3.41Å
96	T	96.7	Very high	95.8	Very high	58 Å²	58	47 Å²	47	36%	0.356	23%	0.231	S	C	.	.	H	α-helix	trans	-68	-34.7	-176.6	54.5	0	0	0	0	112.7	H92 F93 V94 S100	H92-T96 VanDerWaalsContact NE2-CG2 3.34Å; H92-T96 WeakPolarHBondContact NE2-CG2 3.17Å; H92-T96 WeakPolarHBondContact O-CB 3.5Å; H92-T96 WeakPolarHBondContact O-CG2 3.41Å; H92-T96 PolarHBondContact O-N 2.92Å; H92-T96 PolarHBondContact O-OG1 3.36Å; F93-T96 PolarHBondContact O-OG1 3.49Å; V94-T96 PolarHBondContact O-N 3.28Å; T96-S100 VanDerWaalsContact O-CB 3.24Å; T96-S100 WeakPolarHBondContact O-CB 3.24Å; T96-S100 PolarHBondContact O-N 2.89Å
97	T	96.7	Very high	95.7	Very high	14 Å²	14	49.7 Å²	49.7	9%	0.086	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-54.5	174.1	-68.5	0	0	0	0	110.7	F93 V94 R95 V99 S100 R101 K391	F93-T97 WeakPolarHBondContact O-CB 3.41Å; F93-T97 PolarHBondContact O-N 2.89Å; F93-T97 PolarHBondContact O-OG1 3.45Å; V94-T97 PolarHBondContact O-N 3.47Å; R95-T97 VanDerWaalsContact C-N 3.34Å; R95-T97 PolarHBondContact O-N 3.46Å; T97-V99 PolarHBondContact O-N 2.75Å; T97-S100 PolarHBondContact O-N 3.3Å; T97-R101 HydrophobicContact CG2-CG 4.19Å; T97-R101 VanDerWaalsContact O-CB 3.31Å; T97-R101 WeakPolarHBondContact O-CB 3.29Å; T97-R101 VanDerWaalsContact O-CG 3.27Å; T97-R101 WeakPolarHBondContact O-CG 3.27Å; T97-R101 PolarHBondContact O-N 3.18Å; T97-K391 HydrophobicContact CG2-CB 3.55Å; T97-K391 HydrophobicContact CG2-CG 4.22Å
98	F	97.5	Very high	95.6	Very high	1 Å²	1	50 Å²	50	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-41.7	-179	-87	-85.3	0	0	0	112.2	V94 R95 H102 L225 R229 W288 F291 I292 L392	V94-F98 HydrophobicContact CG2-CD2 3.78Å; V94-F98 HydrophobicContact CG2-CE2 3.79Å; V94-F98 WeakPolarHBondContact O-CD2 3.39Å; V94-F98 PolarHBondContact O-N 2.93Å; V94-F98 VanDerWaalsContact O-N 3.09Å; R95-F98 PolarHBondContact O-N 3.29Å; F98-H102 WeakPolarHBondContact O-CB 3.44Å; F98-H102 PolarHBondContact O-N 3.29Å; F98-L225 HydrophobicContact CD1-CD2 4.15Å; F98-L225 HydrophobicContact CE1-CD2 4.23Å; F98-R229 HydrophobicContact CB-CB 3.91Å; F98-W288 HydrophobicContact CD2-CH2 4.16Å; F98-W288 AromaticContact CE2-CH2 3.46Å; F98-W288 HydrophobicContact CE2-CH2 3.46Å; F98-W288 VanDerWaalsContact CE2-CH2 3.46Å; F98-W288 AromaticContact CE2-CZ2 3.57Å; F98-W288 HydrophobicContact CE2-CZ2 3.57Å; F98-W288 AromaticContact CZ-CH2 3.75Å; F98-W288 HydrophobicContact CZ-CH2 3.75Å; F98-W288 AromaticContact CZ-CZ2 3.95Å; F98-W288 HydrophobicContact CZ-CZ2 3.95Å; F98-F291 HydrophobicContact CE1-CE1 4.15Å; F98-F291 HydrophobicContact CE1-CZ 4.46Å; F98-F291 HydrophobicContact CZ-CE1 4.16Å; F98-I292 HydrophobicContact CE2-CD1 4.47Å; F98-I292 HydrophobicContact CZ-CD1 3.81Å; F98-L392 HydrophobicContact CE1-CD2 3.92Å; F98-L392 HydrophobicContact CE2-CD2 4.4Å; F98-L392 HydrophobicContact CZ-CD2 3.61Å
99	V	96.9	Very high	95.5	Very high	65 Å²	65	46.1 Å²	46.1	39%	0.394	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-51.1	174.7	172.6	0	0	0	0	111.2	R95 T97 K103 R229	R95-V99 VanDerWaalsContact O-CG2 3.3Å; R95-V99 WeakPolarHBondContact O-CG2 3.38Å; R95-V99 PolarHBondContact O-N 3.34Å; R95-V99 VanDerWaalsContact O-N 3.1Å; T97-V99 PolarHBondContact O-N 2.75Å; V99-K103 WeakPolarHBondContact O-CB 3.49Å; V99-K103 PolarHBondContact O-N 2.84Å; V99-K103 VanDerWaalsContact O-N 3.17Å; V99-R229 HydrophobicContact CG2-CG 3.71Å
100	S	96.9	Very high	95.5	Very high	43 Å²	43	44.8 Å²	44.8	30%	0.301	22%	0.215	S	C	.	.	H	α-helix	trans	-66.8	-44.2	-176.7	173.8	0	0	0	0	112.3	T96 T97 K103 K104	T96-S100 VanDerWaalsContact O-CB 3.24Å; T96-S100 WeakPolarHBondContact O-CB 3.24Å; T96-S100 PolarHBondContact O-N 2.89Å; T97-S100 PolarHBondContact O-N 3.3Å; S100-K103 PolarHBondContact O-N 3.35Å; S100-K104 WeakPolarHBondContact O-CG 3.39Å; S100-K104 PolarHBondContact O-N 3.34Å
101	R	96.1	Very high	95.4	Very high	35 Å²	35	47.1 Å²	47.1	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-73.5	-37	-176.5	-66.1	-47.2	177.9	-109.1	12.5	112.9	T97 F105 D387 I388	T97-R101 HydrophobicContact CG2-CG 4.19Å; T97-R101 VanDerWaalsContact O-CB 3.31Å; T97-R101 WeakPolarHBondContact O-CB 3.29Å; T97-R101 VanDerWaalsContact O-CG 3.27Å; T97-R101 WeakPolarHBondContact O-CG 3.27Å; T97-R101 PolarHBondContact O-N 3.18Å; R101-F105 WeakPolarHBondContact O-CB 3.35Å; R101-F105 PolarHBondContact O-N 3.22Å; R101-D387 WeakPolarHBondContact CD-OD2 3.35Å; R101-D387 IonicContact CZ-OD1 3.31Å; R101-D387 IonicContact CZ-OD2 2.65Å; R101-D387 IonicContact NE-OD1 3.79Å; R101-D387 IonicContact NE-OD2 2.92Å; R101-D387 PolarHBondContact NE-OD2 3.35Å; R101-D387 IonicContact NH2-OD1 2.73Å; R101-D387 PolarHBondContact NH2-OD1 3.25Å; R101-D387 IonicContact NH2-OD2 3.98Å; R101-D387 PolarHBondContact NH2-OD2 3.42Å; R101-I388 HydrophobicContact CB-CD1 4.44Å; R101-I388 HydrophobicContact CB-CG1 3.99Å; R101-I388 HydrophobicContact CG-CG1 4.03Å
102	H	96.2	Very high	95.3	Very high	29 Å²	29	47.4 Å²	47.4	13%	0.134	23%	0.225	C	C	.	.	H	α-helix	trans	-54	-55.2	167.2	172	-88.8	0	0	0	110.8	F98 K104 F105 D106 L225 T226	F98-H102 WeakPolarHBondContact O-CB 3.44Å; F98-H102 PolarHBondContact O-N 3.29Å; H102-K104 PolarHBondContact O-N 3.47Å; H102-F105 PolarHBondContact O-N 3.37Å; H102-D106 PolarHBondContact O-N 2.85Å; H102-L225 HydrophobicContact CB-CB 4.01Å; H102-T226 PolarHBondContact CD2-OG1 3.47Å; H102-T226 PolarHBondContact NE2-OG1 2.97Å; H102-T226 VanDerWaalsContact NE2-OG1 3.09Å
103	K	96.1	Very high	95.3	Very high	119 Å²	119	42.7 Å²	42.7	52%	0.517	20%	0.203	S	C	.	.	H	α-helix	trans	-57.8	-50.2	-177.7	-179.8	175.4	174.6	176.6	0	112	V99 S100 F105 D106 E107	V99-K103 WeakPolarHBondContact O-CB 3.49Å; V99-K103 PolarHBondContact O-N 2.84Å; V99-K103 VanDerWaalsContact O-N 3.17Å; S100-K103 PolarHBondContact O-N 3.35Å; K103-F105 VanDerWaalsContact C-N 3.34Å; K103-F105 PolarHBondContact O-N 2.82Å; K103-D106 PolarHBondContact O-N 2.91Å; K103-E107 WeakPolarHBondContact CE-OE1 3.35Å; K103-E107 HydrophobicContact CG-CG 4.38Å; K103-E107 IonicContact NZ-OE1 3.57Å; K103-E107 WeakPolarHBondContact O-CB 3.32Å; K103-E107 WeakPolarHBondContact O-CG 3.38Å; K103-E107 PolarHBondContact O-N 2.89Å
104	K	94.6	Very high	95.3	Very high	98 Å²	98	44 Å²	44	43%	0.426	21%	0.211	S	C	.	.	H	α-helix	trans	-60.9	-40.4	-179.6	-74.7	-174.1	176.7	-165.5	0	113.2	S100 H102 F108 L384	S100-K104 WeakPolarHBondContact O-CG 3.39Å; S100-K104 PolarHBondContact O-N 3.34Å; H102-K104 PolarHBondContact O-N 3.47Å; K104-F108 VanDerWaalsContact O-CB 3.27Å; K104-F108 WeakPolarHBondContact O-CB 3.23Å; K104-F108 PolarHBondContact O-N 3.47Å; K104-L384 HydrophobicContact CB-CD1 4.06Å
105	F	94.9	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.5	-41.9	179.1	-167.9	-74.6	0	0	0	111.8	R101 H102 K103 F108 F109 A218 F221 V222 L225 L302 L381 L384 V385 I388	R101-F105 WeakPolarHBondContact O-CB 3.35Å; R101-F105 PolarHBondContact O-N 3.22Å; H102-F105 PolarHBondContact O-N 3.37Å; K103-F105 VanDerWaalsContact C-N 3.34Å; K103-F105 PolarHBondContact O-N 2.82Å; F105-F108 PolarHBondContact O-N 2.95Å; F105-F109 HydrophobicContact CE1-CB 4.49Å; F105-F109 HydrophobicContact CE1-CD2 4.26Å; F105-F109 WeakPolarHBondContact O-CB 3.41Å; F105-F109 PolarHBondContact O-N 3.09Å; F105-A218 HydrophobicContact CE1-CB 4.37Å; F105-A218 HydrophobicContact CZ-CB 4.39Å; F105-F221 AromaticContact CD2-CD1 3.89Å; F105-F221 HydrophobicContact CD2-CD1 3.89Å; F105-F221 AromaticContact CD2-CE1 3.76Å; F105-F221 HydrophobicContact CD2-CE1 3.76Å; F105-F221 HydrophobicContact CE1-CD1 4.27Å; F105-F221 AromaticContact CE2-CD1 3.62Å; F105-F221 HydrophobicContact CE2-CD1 3.62Å; F105-F221 AromaticContact CE2-CE1 3.76Å; F105-F221 HydrophobicContact CE2-CE1 3.76Å; F105-F221 HydrophobicContact CG-CD1 4.32Å; F105-F221 HydrophobicContact CG-CE1 4.42Å; F105-F221 AromaticContact CZ-CD1 3.82Å; F105-F221 HydrophobicContact CZ-CD1 3.82Å; F105-F221 HydrophobicContact CZ-CE1 4.42Å; F105-V222 HydrophobicContact CD1-CG2 3.12Å; F105-V222 HydrophobicContact CE1-CG2 3.37Å; F105-V222 HydrophobicContact CG-CG2 4.16Å; F105-L225 HydrophobicContact CB-CD1 4.2Å; F105-L302 HydrophobicContact CE2-CD1 4.19Å; F105-L302 HydrophobicContact CZ-CD1 4Å; F105-L381 HydrophobicContact CE2-CD1 3.86Å; F105-L381 HydrophobicContact CZ-CD1 4.24Å; F105-L384 HydrophobicContact CB-CD2 4.41Å; F105-L384 HydrophobicContact CD2-CD2 4.16Å; F105-V385 HydrophobicContact CE2-CG2 4.07Å; F105-I388 HydrophobicContact CB-CD1 4.23Å; F105-I388 HydrophobicContact CD2-CD1 3.88Å
106	D	94.6	Very high	95	Very high	34 Å²	34	46 Å²	46	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-44.9	176.8	-179.2	75.5	0	0	0	112	H102 K103 F109 R110 Y150	H102-D106 PolarHBondContact O-N 2.85Å; K103-D106 PolarHBondContact O-N 2.91Å; D106-F109 PolarHBondContact O-N 3.03Å; D106-R110 VanDerWaalsContact CG-NE 3.31Å; D106-R110 VanDerWaalsContact O-CG 3.3Å; D106-R110 WeakPolarHBondContact O-CG 3.44Å; D106-R110 PolarHBondContact O-N 3.25Å; D106-R110 IonicContact OD1-CZ 2.75Å; D106-R110 IonicContact OD1-NE 2.61Å; D106-R110 PolarHBondContact OD1-NE 2.91Å; D106-R110 VanDerWaalsContact OD1-NE 3.15Å; D106-R110 IonicContact OD1-NH2 3.15Å; D106-R110 PolarHBondContact OD1-NH2 3.21Å; D106-R110 VanDerWaalsContact OD1-NH2 3.13Å; D106-R110 IonicContact OD2-CZ 3.62Å; D106-R110 IonicContact OD2-NE 2.85Å; D106-R110 PolarHBondContact OD2-NE 3.41Å; D106-R110 IonicContact OD2-NH2 2.63Å; D106-Y150 WeakPolarHBondContact CA-OH 3.26Å; D106-Y150 WeakPolarHBondContact OD1-CE1 3.43Å; D106-Y150 PolarHBondContact OD1-OH 3.39Å
107	E	94.2	Very high	95	Very high	85 Å²	85	45.6 Å²	45.6	40%	0.397	22%	0.218	S	C	.	.	H	α-helix	trans	-58.2	-50.7	173.9	-73.3	172.7	162.1	0	0	111.4	K103 F109 R110 E111	K103-E107 WeakPolarHBondContact CE-OE1 3.35Å; K103-E107 HydrophobicContact CG-CG 4.38Å; K103-E107 IonicContact NZ-OE1 3.57Å; K103-E107 WeakPolarHBondContact O-CB 3.32Å; K103-E107 WeakPolarHBondContact O-CG 3.38Å; K103-E107 PolarHBondContact O-N 2.89Å; E107-F109 PolarHBondContact O-N 3.46Å; E107-R110 PolarHBondContact O-N 3.27Å; E107-E111 WeakPolarHBondContact O-CG 3.4Å; E107-E111 PolarHBondContact O-N 3.22Å
108	F	93.3	Very high	94.9	Very high	14 Å²	14	51 Å²	51	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-46.4	178.2	173.6	-89.6	0	0	0	112.5	K104 F105 E111 L112 E309 L381 L384	K104-F108 VanDerWaalsContact O-CB 3.27Å; K104-F108 WeakPolarHBondContact O-CB 3.23Å; K104-F108 PolarHBondContact O-N 3.47Å; F105-F108 PolarHBondContact O-N 2.95Å; F108-E111 PolarHBondContact O-N 3.46Å; F108-L112 HydrophobicContact CE1-CD2 4.38Å; F108-L112 WeakPolarHBondContact O-CB 3.36Å; F108-L112 PolarHBondContact O-N 3.26Å; F108-E309 HydrophobicContact CE1-CG 4.31Å; F108-E309 HydrophobicContact CZ-CG 3.77Å; F108-E309 WeakPolarHBondContact CZ-OE1 3.36Å; F108-L381 HydrophobicContact CD1-CD1 4.08Å; F108-L381 HydrophobicContact CE1-CB 3.86Å; F108-L381 HydrophobicContact CE1-CD1 3.59Å; F108-L381 HydrophobicContact CE1-CG 4.3Å; F108-L381 HydrophobicContact CZ-CB 3.78Å; F108-L381 HydrophobicContact CZ-CD1 4.36Å; F108-L384 HydrophobicContact CB-CD2 3.7Å; F108-L384 HydrophobicContact CD1-CD2 4.18Å; F108-L384 HydrophobicContact CD2-CD2 4.33Å; F108-L384 HydrophobicContact CG-CD2 3.79Å
109	F	93.5	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-39.5	-176.8	-165.8	-83.1	0	0	0	111.9	F105 D106 E107 L112 L113 Y150 F215 A218 I308	F105-F109 HydrophobicContact CE1-CB 4.49Å; F105-F109 HydrophobicContact CE1-CD2 4.26Å; F105-F109 WeakPolarHBondContact O-CB 3.41Å; F105-F109 PolarHBondContact O-N 3.09Å; D106-F109 PolarHBondContact O-N 3.03Å; E107-F109 PolarHBondContact O-N 3.46Å; F109-L112 WeakPolarHBondContact O-CB 3.49Å; F109-L112 PolarHBondContact O-N 3.03Å; F109-L113 HydrophobicContact CD1-CD1 4.07Å; F109-L113 HydrophobicContact CD1-CG 4.25Å; F109-L113 HydrophobicContact CE1-CD1 3.72Å; F109-L113 HydrophobicContact CE1-CD2 4.36Å; F109-L113 HydrophobicContact CE1-CG 4.01Å; F109-L113 PolarHBondContact O-N 3.39Å; F109-L113 VanDerWaalsContact O-N 3.16Å; F109-Y150 HydrophobicContact CB-CE1 4.45Å; F109-Y150 HydrophobicContact CB-CE2 4.15Å; F109-Y150 AromaticContact CD1-CD1 3.82Å; F109-Y150 HydrophobicContact CD1-CD1 3.82Å; F109-Y150 AromaticContact CD1-CD2 3.38Å; F109-Y150 HydrophobicContact CD1-CD2 3.38Å; F109-Y150 AromaticContact CD1-CE1 3.79Å; F109-Y150 HydrophobicContact CD1-CE1 3.79Å; F109-Y150 AromaticContact CD1-CE2 3.34Å; F109-Y150 HydrophobicContact CD1-CE2 3.34Å; F109-Y150 AromaticContact CD1-CG 3.61Å; F109-Y150 HydrophobicContact CD1-CG 3.61Å; F109-Y150 AromaticContact CD1-CZ 3.54Å; F109-Y150 HydrophobicContact CD2-CE2 4.12Å; F109-Y150 HydrophobicContact CE1-CD1 4.13Å; F109-Y150 AromaticContact CE1-CD2 3.21Å; F109-Y150 HydrophobicContact CE1-CD2 3.21Å; F109-Y150 HydrophobicContact CE1-CE1 4.5Å; F109-Y150 AromaticContact CE1-CE2 3.66Å; F109-Y150 HydrophobicContact CE1-CE2 3.66Å; F109-Y150 AromaticContact CE1-CG 3.47Å; F109-Y150 HydrophobicContact CE1-CG 3.47Å; F109-Y150 VanDerWaalsContact CE1-CG 3.47Å; F109-Y150 HydrophobicContact CE2-CD2 4.43Å; F109-Y150 HydrophobicContact CE2-CE2 4.39Å; F109-Y150 HydrophobicContact CG-CD2 4.08Å; F109-Y150 HydrophobicContact CG-CE1 4.4Å; F109-Y150 AromaticContact CG-CE2 3.6Å; F109-Y150 HydrophobicContact CG-CE2 3.6Å; F109-Y150 AromaticContact CG-CZ 3.77Å; F109-Y150 AromaticContact CZ-CD2 3.8Å; F109-Y150 HydrophobicContact CZ-CD2 3.8Å; F109-Y150 HydrophobicContact CZ-CE2 4.19Å; F109-Y150 HydrophobicContact CZ-CG 4.42Å; F109-F215 HydrophobicContact CE1-CD1 4.27Å; F109-F215 AromaticContact CE1-CE1 3.91Å; F109-F215 HydrophobicContact CE1-CE1 3.91Å; F109-F215 AromaticContact CZ-CD1 3.89Å; F109-F215 HydrophobicContact CZ-CD1 3.89Å; F109-F215 AromaticContact CZ-CE1 3.82Å; F109-F215 HydrophobicContact CZ-CE1 3.82Å; F109-F215 HydrophobicContact CZ-CG 4.42Å; F109-F215 HydrophobicContact CZ-CZ 4.27Å; F109-A218 HydrophobicContact CD2-CB 3.78Å; F109-A218 HydrophobicContact CE2-CB 3.21Å; F109-A218 HydrophobicContact CZ-CB 4Å; F109-I308 HydrophobicContact CD2-CG1 4.44Å; F109-I308 HydrophobicContact CD2-CG2 4.15Å; F109-I308 HydrophobicContact CE2-CB 4.1Å; F109-I308 HydrophobicContact CE2-CD1 4.22Å; F109-I308 HydrophobicContact CE2-CG1 3.6Å; F109-I308 HydrophobicContact CE2-CG2 3.95Å; F109-I308 HydrophobicContact CZ-CD1 4.26Å; F109-I308 HydrophobicContact CZ-CG1 4.03Å
110	R	94.2	Very high	94.7	Very high	100 Å²	100	49 Å²	49	38%	0.377	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-46.6	175.6	-70.3	173	-172.7	-78.4	-8.4	111.6	D106 E107 L112 L113 E114 Y150	D106-R110 VanDerWaalsContact CG-NE 3.31Å; D106-R110 VanDerWaalsContact O-CG 3.3Å; D106-R110 WeakPolarHBondContact O-CG 3.44Å; D106-R110 PolarHBondContact O-N 3.25Å; D106-R110 IonicContact OD1-CZ 2.75Å; D106-R110 IonicContact OD1-NE 2.61Å; D106-R110 PolarHBondContact OD1-NE 2.91Å; D106-R110 VanDerWaalsContact OD1-NE 3.15Å; D106-R110 IonicContact OD1-NH2 3.15Å; D106-R110 PolarHBondContact OD1-NH2 3.21Å; D106-R110 VanDerWaalsContact OD1-NH2 3.13Å; D106-R110 IonicContact OD2-CZ 3.62Å; D106-R110 IonicContact OD2-NE 2.85Å; D106-R110 PolarHBondContact OD2-NE 3.41Å; D106-R110 IonicContact OD2-NH2 2.63Å; E107-R110 PolarHBondContact O-N 3.27Å; R110-L112 VanDerWaalsContact C-N 3.28Å; R110-L112 PolarHBondContact O-N 3.35Å; R110-L113 PolarHBondContact O-N 2.91Å; R110-E114 WeakPolarHBondContact O-CG 3.26Å; R110-E114 PolarHBondContact O-N 3.49Å; R110-Y150 HydrophobicContact CG-CE1 4.27Å
111	E	93.2	Very high	94.6	Very high	87 Å²	87	49.6 Å²	49.6	41%	0.407	23%	0.229	S	C	.	.	H	α-helix	trans	-60	-39.3	175.9	-74.4	-178.8	-172.6	0	0	111.7	E107 F108 L113 E114 N115	E107-E111 WeakPolarHBondContact O-CG 3.4Å; E107-E111 PolarHBondContact O-N 3.22Å; F108-E111 PolarHBondContact O-N 3.46Å; E111-L113 PolarHBondContact O-N 3.46Å; E111-E114 PolarHBondContact O-N 2.96Å; E111-N115 VanDerWaalsContact O-CB 3.26Å; E111-N115 WeakPolarHBondContact O-CB 3.39Å; E111-N115 PolarHBondContact O-N 3.02Å; E111-N115 PolarHBondContact O-ND2 3.46Å
112	L	93	Very high	94.6	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-46.8	175.5	-179.2	65.6	0	0	0	111.6	F108 F109 R110 N115 A116 I308 E309 M312 D313	F108-L112 HydrophobicContact CE1-CD2 4.38Å; F108-L112 WeakPolarHBondContact O-CB 3.36Å; F108-L112 PolarHBondContact O-N 3.26Å; F109-L112 WeakPolarHBondContact O-CB 3.49Å; F109-L112 PolarHBondContact O-N 3.03Å; R110-L112 VanDerWaalsContact C-N 3.28Å; R110-L112 PolarHBondContact O-N 3.35Å; L112-N115 PolarHBondContact O-N 3.32Å; L112-A116 WeakPolarHBondContact O-CB 3.41Å; L112-A116 PolarHBondContact O-N 3.42Å; L112-I308 HydrophobicContact CD2-CB 4.22Å; L112-I308 HydrophobicContact CD2-CG1 3.77Å; L112-I308 HydrophobicContact CD2-CG2 3.67Å; L112-E309 HydrophobicContact CD1-CG 4.07Å; L112-E309 HydrophobicContact CD2-CG 4.11Å; L112-M312 HydrophobicContact CD1-CB 4.38Å; L112-M312 HydrophobicContact CD2-CB 4.21Å; L112-M312 HydrophobicContact CD2-CG 4.33Å; L112-M312 HydrophobicContact CG-CB 4.09Å; L112-D313 WeakPolarHBondContact CD1-OD1 3.47Å
113	L	94.9	Very high	94.4	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-42.5	178.1	-67.1	-176.8	0	0	0	112.6	F109 R110 E111 A116 E117 K147 F215 M312	F109-L113 HydrophobicContact CD1-CD1 4.07Å; F109-L113 HydrophobicContact CD1-CG 4.25Å; F109-L113 HydrophobicContact CE1-CD1 3.72Å; F109-L113 HydrophobicContact CE1-CD2 4.36Å; F109-L113 HydrophobicContact CE1-CG 4.01Å; F109-L113 PolarHBondContact O-N 3.39Å; F109-L113 VanDerWaalsContact O-N 3.16Å; R110-L113 PolarHBondContact O-N 2.91Å; E111-L113 PolarHBondContact O-N 3.46Å; L113-A116 PolarHBondContact O-N 3.46Å; L113-E117 WeakPolarHBondContact O-CB 3.25Å; L113-E117 PolarHBondContact O-N 3.25Å; L113-K147 HydrophobicContact CB-CG 4.4Å; L113-K147 HydrophobicContact CD1-CG 3.78Å; L113-F215 HydrophobicContact CD1-CE1 4.27Å; L113-F215 HydrophobicContact CD1-CZ 4.48Å; L113-F215 HydrophobicContact CD2-CE1 4.17Å; L113-F215 HydrophobicContact CD2-CZ 3.58Å; L113-M312 HydrophobicContact CD2-CG 4.17Å; L113-M312 HydrophobicContact CD2-SD 3.78Å
114	E	94.6	Very high	94.4	Very high	110 Å²	110	45.1 Å²	45.1	51%	0.514	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-41	177.1	-71.7	176.6	-175.4	0	0	111.9	R110 E111 K118	R110-E114 WeakPolarHBondContact O-CG 3.26Å; R110-E114 PolarHBondContact O-N 3.49Å; E111-E114 PolarHBondContact O-N 2.96Å; E114-K118 WeakPolarHBondContact O-CB 3.29Å; E114-K118 PolarHBondContact O-N 3.24Å
115	N	92.4	Very high	94.4	Very high	64 Å²	64	43.1 Å²	43.1	34%	0.342	21%	0.21	S	C	.	.	H	α-helix	trans	-67.7	-41.3	176.7	-73.2	-37.7	0	0	0	111.9	E111 L112 K118 S119	E111-N115 VanDerWaalsContact O-CB 3.26Å; E111-N115 WeakPolarHBondContact O-CB 3.39Å; E111-N115 PolarHBondContact O-N 3.02Å; E111-N115 PolarHBondContact O-ND2 3.46Å; L112-N115 PolarHBondContact O-N 3.32Å; N115-K118 PolarHBondContact O-N 2.86Å; N115-S119 WeakPolarHBondContact O-CB 3.49Å; N115-S119 PolarHBondContact O-N 2.95Å
116	A	93.8	Very high	94.3	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-42.2	176.2	0	0	0	0	0	111.8	L112 L113 S119 L120 F143 M312 I315	L112-A116 WeakPolarHBondContact O-CB 3.41Å; L112-A116 PolarHBondContact O-N 3.42Å; L113-A116 PolarHBondContact O-N 3.46Å; A116-S119 PolarHBondContact O-N 2.85Å; A116-L120 WeakPolarHBondContact O-CB 3.48Å; A116-L120 PolarHBondContact O-N 3.09Å; A116-F143 HydrophobicContact CB-CE1 3.91Å; A116-F143 HydrophobicContact CB-CZ 4.27Å; A116-M312 HydrophobicContact CB-CB 4.24Å; A116-I315 HydrophobicContact CB-CG2 4.19Å
117	E	96.5	Very high	94.2	Very high	50 Å²	50	53.7 Å²	53.7	23%	0.234	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-46.1	174.9	-176.6	177.9	-174	0	0	111.7	L113 L120 N121 F143 K147	L113-E117 WeakPolarHBondContact O-CB 3.25Å; L113-E117 PolarHBondContact O-N 3.25Å; E117-L120 PolarHBondContact O-N 3.47Å; E117-N121 WeakPolarHBondContact O-CB 3.43Å; E117-N121 PolarHBondContact O-N 3.1Å; E117-F143 VanDerWaalsContact CA-CZ 3.49Å; E117-F143 HydrophobicContact CB-CB 4.3Å; E117-F143 HydrophobicContact CB-CD1 3.72Å; E117-F143 HydrophobicContact CB-CD2 3.86Å; E117-F143 HydrophobicContact CB-CE1 3.92Å; E117-F143 HydrophobicContact CB-CE2 4.06Å; E117-F143 HydrophobicContact CB-CG 3.69Å; E117-F143 HydrophobicContact CB-CZ 4.09Å; E117-F143 HydrophobicContact CG-CB 4.06Å; E117-F143 HydrophobicContact CG-CD1 4.35Å; E117-F143 HydrophobicContact CG-CD2 3.73Å; E117-F143 HydrophobicContact CG-CE2 4.24Å; E117-F143 HydrophobicContact CG-CG 3.79Å; E117-K147 WeakPolarHBondContact OE2-CE 3.08Å; E117-K147 IonicContact OE2-NZ 3.49Å; E117-K147 PolarHBondContact OE2-NZ 2.92Å
118	K	95.7	Very high	94	Very high	128 Å²	128	51 Å²	51	56%	0.557	24%	0.24	S	C	*	.	H	α-helix	trans	-64	-44.1	177.7	-175.7	179.9	176.9	-177	0	112.1	E114 N115 L120 N121 D122	E114-K118 WeakPolarHBondContact O-CB 3.29Å; E114-K118 PolarHBondContact O-N 3.24Å; N115-K118 PolarHBondContact O-N 2.86Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 3.1Å; K118-N121 PolarHBondContact O-N 3.37Å; K118-D122 WeakPolarHBondContact O-CB 3.46Å; K118-D122 PolarHBondContact O-N 2.95Å
119	S	93.4	Very high	94	Very high	21 Å²	21	51.5 Å²	51.5	15%	0.147	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-47	176.5	-170.5	0	0	0	0	110.8	N115 A116 N121 D122 M123 D316	N115-S119 WeakPolarHBondContact O-CB 3.49Å; N115-S119 PolarHBondContact O-N 2.95Å; A116-S119 PolarHBondContact O-N 2.85Å; S119-N121 PolarHBondContact O-N 3.44Å; S119-D122 PolarHBondContact O-N 3.12Å; S119-M123 VanDerWaalsContact O-CB 3.25Å; S119-M123 WeakPolarHBondContact O-CB 3.45Å; S119-M123 PolarHBondContact O-N 2.87Å; S119-D316 WeakPolarHBondContact CB-OD2 3.26Å; S119-D316 PolarHBondContact OG-OD2 3.33Å
120	L	95.9	Very high	93.9	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-50	176.4	-173.3	145.9	0	0	0	111.4	A116 E117 K118 D122 M123 F124 Y132 F139 F143 D316 I319	A116-L120 WeakPolarHBondContact O-CB 3.48Å; A116-L120 PolarHBondContact O-N 3.09Å; E117-L120 PolarHBondContact O-N 3.47Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 3.1Å; L120-D122 PolarHBondContact O-N 3.5Å; L120-M123 PolarHBondContact O-N 3.43Å; L120-F124 HydrophobicContact CD1-CE2 4.43Å; L120-F124 HydrophobicContact CD1-CZ 4.26Å; L120-F124 HydrophobicContact CD2-CD2 3.94Å; L120-F124 HydrophobicContact CD2-CE2 4.22Å; L120-F124 HydrophobicContact CD2-CG 4.11Å; L120-F124 HydrophobicContact CG-CD1 4.17Å; L120-F124 HydrophobicContact CG-CD2 4.32Å; L120-F124 HydrophobicContact CG-CE1 4.14Å; L120-F124 HydrophobicContact CG-CE2 4.28Å; L120-F124 HydrophobicContact CG-CG 4.28Å; L120-F124 HydrophobicContact CG-CZ 4.19Å; L120-F124 VanDerWaalsContact O-CB 3.23Å; L120-F124 WeakPolarHBondContact O-CB 3.35Å; L120-F124 WeakPolarHBondContact O-CD1 3.5Å; L120-F124 WeakPolarHBondContact O-CG 3.43Å; L120-F124 PolarHBondContact O-N 3.46Å; L120-Y132 HydrophobicContact CD2-CE2 4.05Å; L120-F139 HydrophobicContact CD1-CD1 4.37Å; L120-F139 HydrophobicContact CD2-CB 3.99Å; L120-F139 HydrophobicContact CD2-CD1 4.14Å; L120-F139 HydrophobicContact CD2-CG 4.13Å; L120-F143 HydrophobicContact CB-CE2 4.26Å; L120-F143 HydrophobicContact CD1-CE2 4.01Å; L120-F143 HydrophobicContact CD1-CZ 4.46Å; L120-D316 HydrophobicContact CB-CB 3.83Å; L120-D316 HydrophobicContact CD1-CB 4.3Å; L120-D316 HydrophobicContact CG-CB 4.09Å; L120-I319 HydrophobicContact CD1-CD1 3.74Å
121	N	96	Very high	93.8	Very high	56 Å²	56	56 Å²	56	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-48.8	179.3	177.5	80.1	0	0	0	111.7	E117 K118 S119 M123 F124 V125 Y132	E117-N121 WeakPolarHBondContact O-CB 3.43Å; E117-N121 PolarHBondContact O-N 3.1Å; K118-N121 PolarHBondContact O-N 3.37Å; S119-N121 PolarHBondContact O-N 3.44Å; N121-M123 PolarHBondContact O-N 3.32Å; N121-F124 PolarHBondContact O-N 3.5Å; N121-V125 WeakPolarHBondContact O-CB 3.46Å; N121-V125 WeakPolarHBondContact O-CG2 3.25Å; N121-V125 PolarHBondContact O-N 2.83Å; N121-Y132 WeakPolarHBondContact CA-OH 3.46Å; N121-Y132 WeakPolarHBondContact OD1-CE1 3.43Å; N121-Y132 PolarHBondContact OD1-OH 3.31Å
122	D	95	Very high	93.8	Very high	72 Å²	72	52.4 Å²	52.4	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-43.6	-179.2	-73.3	-9.7	0	0	0	111.7	K118 S119 L120 R126	K118-D122 WeakPolarHBondContact O-CB 3.46Å; K118-D122 PolarHBondContact O-N 2.95Å; S119-D122 PolarHBondContact O-N 3.12Å; L120-D122 PolarHBondContact O-N 3.5Å; D122-R126 WeakPolarHBondContact O-CD 3.09Å; D122-R126 VanDerWaalsContact O-CG 3.24Å; D122-R126 WeakPolarHBondContact O-CG 3.46Å; D122-R126 PolarHBondContact O-N 3.31Å
123	M	93	Very high	93.8	Very high	16 Å²	16	57.1 Å²	57.1	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-44.3	176.9	-177.6	-174	173.2	0	0	111.3	S119 L120 N121 R126 T127 D316 V317 Y367	S119-M123 VanDerWaalsContact O-CB 3.25Å; S119-M123 WeakPolarHBondContact O-CB 3.45Å; S119-M123 PolarHBondContact O-N 2.87Å; L120-M123 PolarHBondContact O-N 3.43Å; N121-M123 PolarHBondContact O-N 3.32Å; M123-R126 PolarHBondContact O-N 3.39Å; M123-T127 VanDerWaalsContact O-CB 3.29Å; M123-T127 WeakPolarHBondContact O-CB 3.35Å; M123-T127 PolarHBondContact O-N 3.4Å; M123-T127 PolarHBondContact O-OG1 2.98Å; M123-D316 HydrophobicContact SD-CB 3.88Å; M123-V317 HydrophobicContact CE-CG2 4.35Å; M123-V317 HydrophobicContact SD-CG2 4.33Å; M123-Y367 HydrophobicContact CE-CD1 4.18Å; M123-Y367 HydrophobicContact CE-CD2 3.76Å; M123-Y367 HydrophobicContact CE-CE1 4.4Å; M123-Y367 HydrophobicContact CE-CE2 4.02Å; M123-Y367 HydrophobicContact CE-CG 3.85Å; M123-Y367 HydrophobicContact SD-CE2 4.33Å
124	F	95.4	Very high	93.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-78	-33.3	-172.3	-79.4	31.7	0	0	0	111.8	L120 N121 R126 T127 Y128 G129 Y132 F139 D316 I319 I323	L120-F124 HydrophobicContact CD1-CE2 4.43Å; L120-F124 HydrophobicContact CD1-CZ 4.26Å; L120-F124 HydrophobicContact CD2-CD2 3.94Å; L120-F124 HydrophobicContact CD2-CE2 4.22Å; L120-F124 HydrophobicContact CD2-CG 4.11Å; L120-F124 HydrophobicContact CG-CD1 4.17Å; L120-F124 HydrophobicContact CG-CD2 4.32Å; L120-F124 HydrophobicContact CG-CE1 4.14Å; L120-F124 HydrophobicContact CG-CE2 4.28Å; L120-F124 HydrophobicContact CG-CG 4.28Å; L120-F124 HydrophobicContact CG-CZ 4.19Å; L120-F124 VanDerWaalsContact O-CB 3.23Å; L120-F124 WeakPolarHBondContact O-CB 3.35Å; L120-F124 WeakPolarHBondContact O-CD1 3.5Å; L120-F124 WeakPolarHBondContact O-CG 3.43Å; L120-F124 PolarHBondContact O-N 3.46Å; N121-F124 PolarHBondContact O-N 3.5Å; F124-R126 VanDerWaalsContact C-N 3.3Å; F124-R126 PolarHBondContact O-N 2.99Å; F124-T127 PolarHBondContact O-N 3.45Å; F124-Y128 HydrophobicContact CB-CD2 4.07Å; F124-Y128 HydrophobicContact CD1-CD2 4.39Å; F124-Y128 HydrophobicContact CD1-CE2 4.16Å; F124-Y128 HydrophobicContact CD2-CD2 4.03Å; F124-Y128 HydrophobicContact CD2-CE2 4.07Å; F124-Y128 HydrophobicContact CE1-CE2 4.28Å; F124-Y128 HydrophobicContact CE2-CE2 4.2Å; F124-Y128 AromaticContact CG-CD2 3.92Å; F124-Y128 HydrophobicContact CG-CD2 3.92Å; F124-Y128 HydrophobicContact CG-CE2 4.05Å; F124-Y128 HydrophobicContact CZ-CE2 4.29Å; F124-Y128 WeakPolarHBondContact O-CA 3.44Å; F124-Y128 PolarHBondContact O-N 2.98Å; F124-G129 PolarHBondContact O-N 3.38Å; F124-Y132 HydrophobicContact CB-CD1 3.8Å; F124-Y132 HydrophobicContact CB-CD2 3.57Å; F124-Y132 HydrophobicContact CB-CE1 3.99Å; F124-Y132 HydrophobicContact CB-CE2 3.74Å; F124-Y132 HydrophobicContact CB-CG 3.58Å; F124-Y132 AromaticContact CD2-CD2 3.64Å; F124-Y132 HydrophobicContact CD2-CD2 3.64Å; F124-Y132 AromaticContact CD2-CE2 3.76Å; F124-Y132 HydrophobicContact CD2-CE2 3.76Å; F124-Y132 HydrophobicContact CD2-CG 4.43Å; F124-Y132 HydrophobicContact CG-CD2 4.11Å; F124-Y132 HydrophobicContact CG-CE2 4.18Å; F124-F139 HydrophobicContact CD2-CE1 4.32Å; F124-F139 HydrophobicContact CD2-CZ 4.27Å; F124-F139 HydrophobicContact CE2-CD1 4.27Å; F124-F139 AromaticContact CE2-CE1 3.73Å; F124-F139 HydrophobicContact CE2-CE1 3.73Å; F124-F139 AromaticContact CE2-CZ 3.96Å; F124-F139 HydrophobicContact CE2-CZ 3.96Å; F124-D316 HydrophobicContact CE1-CB 4.28Å; F124-D316 VanDerWaalsContact CE1-O 3.32Å; F124-D316 WeakPolarHBondContact CE1-O 3.44Å; F124-I319 HydrophobicContact CE2-CG2 3.8Å; F124-I319 HydrophobicContact CZ-CB 4Å; F124-I319 HydrophobicContact CZ-CG2 3.66Å; F124-I323 HydrophobicContact CE2-CD1 3.85Å; F124-I323 HydrophobicContact CZ-CD1 4.32Å
125	V	95.4	Very high	93.8	Very high	57 Å²	57	59.6 Å²	59.6	35%	0.345	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-42.8	168.3	170.4	0	0	0	0	110.5	N121 G129 Y132 M133	N121-V125 WeakPolarHBondContact O-CB 3.46Å; N121-V125 WeakPolarHBondContact O-CG2 3.25Å; N121-V125 PolarHBondContact O-N 2.83Å; V125-G129 WeakPolarHBondContact O-CA 3.46Å; V125-G129 PolarHBondContact O-N 2.61Å; V125-G129 VanDerWaalsContact O-N 3.09Å; V125-Y132 HydrophobicContact CG2-CD1 3.77Å; V125-Y132 HydrophobicContact CG2-CE1 3.78Å; V125-M133 HydrophobicContact CG2-CG 4.29Å
126	R	93.2	Very high	93.9	Very high	198 Å²	198	57.8 Å²	57.8	75%	0.747	29%	0.288	S	S	*	.	H	α-helix	trans	-70.1	-36.4	178	-69.7	173.5	-172.7	-163.4	5.1	113.2	D122 M123 F124	D122-R126 WeakPolarHBondContact O-CD 3.09Å; D122-R126 VanDerWaalsContact O-CG 3.24Å; D122-R126 WeakPolarHBondContact O-CG 3.46Å; D122-R126 PolarHBondContact O-N 3.31Å; M123-R126 PolarHBondContact O-N 3.39Å; F124-R126 VanDerWaalsContact C-N 3.3Å; F124-R126 PolarHBondContact O-N 2.99Å
127	T	90.7	Very high	94	Very high	58 Å²	58	63.6 Å²	63.6	36%	0.356	32%	0.315	S	S	.	.	H	α-helix	trans	-88	-43	-171.8	-54.3	0	0	0	0	112.8	M123 F124	M123-T127 VanDerWaalsContact O-CB 3.29Å; M123-T127 WeakPolarHBondContact O-CB 3.35Å; M123-T127 PolarHBondContact O-N 3.4Å; M123-T127 PolarHBondContact O-OG1 2.98Å; F124-T127 PolarHBondContact O-N 3.45Å
128	Y	91.1	Very high	94	Very high	29 Å²	29	62 Å²	62	11%	0.114	31%	0.308	C	S	.	.	H	α-helix	trans	-113.7	-13.1	-173.6	-56.6	-71.1	0	0	0	113.4	F124 M130 L131 S320 I323 F364	F124-Y128 HydrophobicContact CB-CD2 4.07Å; F124-Y128 HydrophobicContact CD1-CD2 4.39Å; F124-Y128 HydrophobicContact CD1-CE2 4.16Å; F124-Y128 HydrophobicContact CD2-CD2 4.03Å; F124-Y128 HydrophobicContact CD2-CE2 4.07Å; F124-Y128 HydrophobicContact CE1-CE2 4.28Å; F124-Y128 HydrophobicContact CE2-CE2 4.2Å; F124-Y128 AromaticContact CG-CD2 3.92Å; F124-Y128 HydrophobicContact CG-CD2 3.92Å; F124-Y128 HydrophobicContact CG-CE2 4.05Å; F124-Y128 HydrophobicContact CZ-CE2 4.29Å; F124-Y128 WeakPolarHBondContact O-CA 3.44Å; F124-Y128 PolarHBondContact O-N 2.98Å; Y128-M130 PolarHBondContact O-N 3.4Å; Y128-L131 PolarHBondContact O-N 2.67Å; Y128-S320 PolarHBondContact OH-OG 2.99Å; Y128-I323 HydrophobicContact CE1-CG2 3.79Å; Y128-I323 HydrophobicContact CE2-CD1 4.19Å; Y128-F364 HydrophobicContact CD1-CE1 4.42Å; Y128-F364 HydrophobicContact CE1-CE1 4.29Å
129	G	93.2	Very high	94.1	Very high	24 Å²	24	56.4 Å²	56.4	25%	0.247	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-131.6	174.5	0	0	0	0	0	113.4	F124 V125 L131 Y132 M133	F124-G129 PolarHBondContact O-N 3.38Å; V125-G129 WeakPolarHBondContact O-CA 3.46Å; V125-G129 PolarHBondContact O-N 2.61Å; V125-G129 VanDerWaalsContact O-N 3.09Å; G129-L131 PolarHBondContact O-N 3.41Å; G129-Y132 PolarHBondContact O-N 2.87Å; G129-Y132 VanDerWaalsContact O-N 3.16Å; G129-M133 PolarHBondContact O-N 3.29Å; G129-M133 VanDerWaalsContact O-N 3.14Å
130	M	92.1	Very high	94.2	Very high	120 Å²	120	59.6 Å²	59.6	59%	0.591	30%	0.296	S	S	*	.	H	α-helix	trans	-59.1	-30	-177	-72.2	-59.8	-58	0	0	113.6	Y128 Y132 M133 Q134	Y128-M130 PolarHBondContact O-N 3.4Å; M130-Y132 VanDerWaalsContact C-N 3.32Å; M130-Y132 PolarHBondContact O-N 2.92Å; M130-M133 PolarHBondContact O-N 3.37Å; M130-M133 HydrophobicContact SD-SD 3.98Å; M130-Q134 WeakPolarHBondContact O-CB 3.49Å; M130-Q134 VanDerWaalsContact O-CG 3.29Å; M130-Q134 WeakPolarHBondContact O-CG 3.44Å; M130-Q134 PolarHBondContact O-N 3.36Å
131	L	90.3	Very high	94.2	Very high	74 Å²	74	62.2 Å²	62.2	39%	0.387	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-42.2	178.9	-67.6	175	0	0	0	111.3	Y128 G129 N135 L175	Y128-L131 PolarHBondContact O-N 2.67Å; G129-L131 PolarHBondContact O-N 3.41Å; L131-N135 PolarHBondContact O-ND2 3Å; L131-L175 HydrophobicContact CD2-CD2 4.03Å
132	Y	94	Very high	94.2	Very high	12 Å²	12	59.8 Å²	59.8	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-68.6	-48	173.3	166.7	-104.9	0	0	0	111.1	L120 N121 F124 V125 G129 M130 Q134 N135 S136 F139	L120-Y132 HydrophobicContact CD2-CE2 4.05Å; N121-Y132 WeakPolarHBondContact CA-OH 3.46Å; N121-Y132 WeakPolarHBondContact OD1-CE1 3.43Å; N121-Y132 PolarHBondContact OD1-OH 3.31Å; F124-Y132 HydrophobicContact CB-CD1 3.8Å; F124-Y132 HydrophobicContact CB-CD2 3.57Å; F124-Y132 HydrophobicContact CB-CE1 3.99Å; F124-Y132 HydrophobicContact CB-CE2 3.74Å; F124-Y132 HydrophobicContact CB-CG 3.58Å; F124-Y132 AromaticContact CD2-CD2 3.64Å; F124-Y132 HydrophobicContact CD2-CD2 3.64Å; F124-Y132 AromaticContact CD2-CE2 3.76Å; F124-Y132 HydrophobicContact CD2-CE2 3.76Å; F124-Y132 HydrophobicContact CD2-CG 4.43Å; F124-Y132 HydrophobicContact CG-CD2 4.11Å; F124-Y132 HydrophobicContact CG-CE2 4.18Å; V125-Y132 HydrophobicContact CG2-CD1 3.77Å; V125-Y132 HydrophobicContact CG2-CE1 3.78Å; G129-Y132 PolarHBondContact O-N 2.87Å; G129-Y132 VanDerWaalsContact O-N 3.16Å; M130-Y132 VanDerWaalsContact C-N 3.32Å; M130-Y132 PolarHBondContact O-N 2.92Å; Y132-Q134 PolarHBondContact O-N 3.23Å; Y132-Q134 VanDerWaalsContact O-N 3.15Å; Y132-N135 CarbonylContact O-C 3.22Å; Y132-N135 VanDerWaalsContact O-C 3.29Å; Y132-N135 WeakPolarHBondContact O-CA 3.28Å; Y132-N135 PolarHBondContact O-N 3.33Å; Y132-S136 WeakPolarHBondContact O-CA 3.49Å; Y132-S136 PolarHBondContact O-N 2.87Å; Y132-F139 AromaticContact CD2-CD2 3.91Å; Y132-F139 HydrophobicContact CD2-CD2 3.91Å; Y132-F139 AromaticContact CD2-CE2 3.84Å; Y132-F139 HydrophobicContact CD2-CE2 3.84Å; Y132-F139 HydrophobicContact CE2-CB 4.39Å; Y132-F139 AromaticContact CE2-CD2 3.49Å; Y132-F139 HydrophobicContact CE2-CD2 3.49Å; Y132-F139 VanDerWaalsContact CE2-CD2 3.49Å; Y132-F139 AromaticContact CE2-CE2 3.91Å; Y132-F139 HydrophobicContact CE2-CE2 3.91Å; Y132-F139 AromaticContact CE2-CG 4Å; Y132-F139 HydrophobicContact CE2-CG 4Å
133	M	94.1	Very high	94.3	Very high	103 Å²	103	56.4 Å²	56.4	51%	0.507	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-31.9	-177.7	-66	179.7	69.7	0	0	113.2	V125 G129 M130 N135 S136	V125-M133 HydrophobicContact CG2-CG 4.29Å; G129-M133 PolarHBondContact O-N 3.29Å; G129-M133 VanDerWaalsContact O-N 3.14Å; M130-M133 PolarHBondContact O-N 3.37Å; M130-M133 HydrophobicContact SD-SD 3.98Å; M133-N135 VanDerWaalsContact C-N 3.31Å; M133-S136 PolarHBondContact O-OG 3.19Å
134	Q	93.5	Very high	94.5	Very high	134 Å²	134	59.3 Å²	59.3	63%	0.626	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.4	176	-73.7	176.2	-19.6	0	0	113.8	M130 Y132	M130-Q134 WeakPolarHBondContact O-CB 3.49Å; M130-Q134 VanDerWaalsContact O-CG 3.29Å; M130-Q134 WeakPolarHBondContact O-CG 3.44Å; M130-Q134 PolarHBondContact O-N 3.36Å; Y132-Q134 PolarHBondContact O-N 3.23Å; Y132-Q134 VanDerWaalsContact O-N 3.15Å
135	N	94.1	Very high	94.5	Very high	29 Å²	29	61.8 Å²	61.8	16%	0.155	31%	0.31	C	S	.	.	S	Bend	trans	-124.6	16.7	-176.7	-63.4	-85.1	0	0	0	111.9	L131 Y132 M133 E137 V138	L131-N135 PolarHBondContact O-ND2 3Å; Y132-N135 CarbonylContact O-C 3.22Å; Y132-N135 VanDerWaalsContact O-C 3.29Å; Y132-N135 WeakPolarHBondContact O-CA 3.28Å; Y132-N135 PolarHBondContact O-N 3.33Å; M133-N135 VanDerWaalsContact C-N 3.31Å; N135-E137 PolarHBondContact O-N 3.29Å; N135-V138 PolarHBondContact O-N 3.21Å
136	S	95.8	Very high	94.6	Very high	26 Å²	26	59.1 Å²	59.1	18%	0.182	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.5	-171.9	59.2	0	0	0	0	112.5	Y132 M133 V138 F139 Q140	Y132-S136 WeakPolarHBondContact O-CA 3.49Å; Y132-S136 PolarHBondContact O-N 2.87Å; M133-S136 PolarHBondContact O-OG 3.19Å; S136-V138 PolarHBondContact O-N 3.38Å; S136-F139 PolarHBondContact O-N 2.96Å; S136-Q140 WeakPolarHBondContact O-CG 3.48Å; S136-Q140 PolarHBondContact O-N 3.09Å
137	E	96.2	Very high	94.7	Very high	127 Å²	127	52.7 Å²	52.7	59%	0.593	27%	0.271	S	S	*	.	H	α-helix	trans	-51.9	-40.3	176.2	-173.1	177.7	-164.7	0	0	112	N135 F139 Q140 D141	N135-E137 PolarHBondContact O-N 3.29Å; E137-F139 PolarHBondContact O-N 3.14Å; E137-Q140 PolarHBondContact O-N 2.9Å; E137-Q140 VanDerWaalsContact O-N 3.17Å; E137-D141 WeakPolarHBondContact O-CB 3.25Å; E137-D141 PolarHBondContact O-N 2.99Å
138	V	95.9	Very high	94.9	Very high	16 Å²	16	55.7 Å²	55.7	10%	0.097	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-35.5	179.1	-179.4	0	0	0	0	112.1	N135 S136 F164 R167 R171	N135-V138 PolarHBondContact O-N 3.21Å; S136-V138 PolarHBondContact O-N 3.38Å; V138-F164 HydrophobicContact CG1-CD2 4.02Å; V138-F164 HydrophobicContact CG1-CE2 4.05Å; V138-R167 HydrophobicContact CG1-CB 4.27Å; V138-R171 HydrophobicContact CG2-CG 4.29Å
139	F	96.8	Very high	95	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.044	27%	0.271	C	S	.	.	H	α-helix	trans	-85.4	-33.7	179.4	-56.1	-86.4	0	0	0	111.7	L120 F124 Y132 S136 E137 L142 F143 F164 L168 I319 I323	L120-F139 HydrophobicContact CD1-CD1 4.37Å; L120-F139 HydrophobicContact CD2-CB 3.99Å; L120-F139 HydrophobicContact CD2-CD1 4.14Å; L120-F139 HydrophobicContact CD2-CG 4.13Å; F124-F139 HydrophobicContact CD2-CE1 4.32Å; F124-F139 HydrophobicContact CD2-CZ 4.27Å; F124-F139 HydrophobicContact CE2-CD1 4.27Å; F124-F139 AromaticContact CE2-CE1 3.73Å; F124-F139 HydrophobicContact CE2-CE1 3.73Å; F124-F139 AromaticContact CE2-CZ 3.96Å; F124-F139 HydrophobicContact CE2-CZ 3.96Å; Y132-F139 AromaticContact CD2-CD2 3.91Å; Y132-F139 HydrophobicContact CD2-CD2 3.91Å; Y132-F139 AromaticContact CD2-CE2 3.84Å; Y132-F139 HydrophobicContact CD2-CE2 3.84Å; Y132-F139 HydrophobicContact CE2-CB 4.39Å; Y132-F139 AromaticContact CE2-CD2 3.49Å; Y132-F139 HydrophobicContact CE2-CD2 3.49Å; Y132-F139 VanDerWaalsContact CE2-CD2 3.49Å; Y132-F139 AromaticContact CE2-CE2 3.91Å; Y132-F139 HydrophobicContact CE2-CE2 3.91Å; Y132-F139 AromaticContact CE2-CG 4Å; Y132-F139 HydrophobicContact CE2-CG 4Å; S136-F139 PolarHBondContact O-N 2.96Å; E137-F139 PolarHBondContact O-N 3.14Å; F139-L142 WeakPolarHBondContact O-CB 3.36Å; F139-L142 PolarHBondContact O-N 3.48Å; F139-F143 WeakPolarHBondContact O-CD2 3.43Å; F139-F143 PolarHBondContact O-N 3.11Å; F139-F164 AromaticContact CD1-CE2 3.92Å; F139-F164 HydrophobicContact CD1-CE2 3.92Å; F139-F164 HydrophobicContact CD1-CZ 4.11Å; F139-F164 HydrophobicContact CE1-CE2 4.11Å; F139-F164 HydrophobicContact CE1-CZ 4.03Å; F139-L168 HydrophobicContact CE1-CD1 4.37Å; F139-L168 HydrophobicContact CZ-CD1 3.79Å; F139-I319 HydrophobicContact CD1-CG2 4.3Å; F139-I319 HydrophobicContact CE1-CG2 3.64Å; F139-I323 HydrophobicContact CZ-CD1 4.3Å
140	Q	96.6	Very high	95.1	Very high	88 Å²	88	53.8 Å²	53.8	41%	0.411	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-41.4	174.4	-71.1	174	-13.9	0	0	111.5	S136 E137 L142 F143 T144	S136-Q140 WeakPolarHBondContact O-CG 3.48Å; S136-Q140 PolarHBondContact O-N 3.09Å; E137-Q140 PolarHBondContact O-N 2.9Å; E137-Q140 VanDerWaalsContact O-N 3.17Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 2.83Å; Q140-F143 PolarHBondContact O-N 2.83Å; Q140-T144 WeakPolarHBondContact O-CB 3.35Å; Q140-T144 PolarHBondContact O-N 3.41Å; Q140-T144 PolarHBondContact O-OG1 3.22Å
141	D	96.5	Very high	95.1	Very high	58 Å²	58	51.9 Å²	51.9	31%	0.31	26%	0.256	S	S	.	.	H	α-helix	trans	-59.2	-44.4	174.2	-75.8	-5.2	0	0	0	111.2	E137 F143 T144 E145 R167	E137-D141 WeakPolarHBondContact O-CB 3.25Å; E137-D141 PolarHBondContact O-N 2.99Å; D141-F143 PolarHBondContact O-N 3.41Å; D141-T144 WeakPolarHBondContact O-CB 3.32Å; D141-T144 PolarHBondContact O-N 3.49Å; D141-E145 PolarHBondContact O-N 3.31Å; D141-R167 IonicContact OD2-NH1 2.61Å; D141-R167 PolarHBondContact OD2-NH1 3.49Å
142	L	96.4	Very high	94.8	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-51.8	176.2	170.5	65.1	0	0	0	111.5	F139 Q140 T144 E145 L146 M160 L161 F164 I319	F139-L142 WeakPolarHBondContact O-CB 3.36Å; F139-L142 PolarHBondContact O-N 3.48Å; Q140-L142 VanDerWaalsContact C-N 3.34Å; Q140-L142 PolarHBondContact O-N 2.83Å; L142-T144 VanDerWaalsContact C-N 3.32Å; L142-T144 PolarHBondContact O-N 2.84Å; L142-E145 PolarHBondContact O-N 2.85Å; L142-L146 HydrophobicContact CD1-CD1 4.07Å; L142-L146 HydrophobicContact CD1-CG 4.23Å; L142-L146 HydrophobicContact CG-CD1 4.11Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.18Å; L142-L146 PolarHBondContact O-N 2.89Å; L142-M160 HydrophobicContact CD1-CE 4.21Å; L142-M160 HydrophobicContact CD1-SD 3.56Å; L142-M160 VanDerWaalsContact CD1-SD 3.56Å; L142-L161 HydrophobicContact CD1-CD2 3.96Å; L142-F164 HydrophobicContact CB-CD2 3.87Å; L142-F164 HydrophobicContact CB-CE2 4.23Å; L142-F164 HydrophobicContact CB-CG 4.46Å; L142-F164 HydrophobicContact CD1-CB 4.36Å; L142-F164 HydrophobicContact CD1-CD2 4.43Å; L142-F164 HydrophobicContact CD1-CG 4.2Å; L142-F164 HydrophobicContact CD2-CD1 4.29Å; L142-F164 HydrophobicContact CD2-CD2 3.92Å; L142-F164 HydrophobicContact CD2-CE1 4.12Å; L142-F164 HydrophobicContact CD2-CE2 3.74Å; L142-F164 HydrophobicContact CD2-CG 4.19Å; L142-F164 HydrophobicContact CD2-CZ 3.84Å; L142-F164 HydrophobicContact CG-CD2 4.29Å; L142-I319 HydrophobicContact CD2-CD1 4.02Å
143	F	97	Very high	94.3	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-33.1	179.3	-80.3	-78.5	0	0	0	112.7	A116 E117 L120 F139 Q140 D141 L146 K147 I315	A116-F143 HydrophobicContact CB-CE1 3.91Å; A116-F143 HydrophobicContact CB-CZ 4.27Å; E117-F143 VanDerWaalsContact CA-CZ 3.49Å; E117-F143 HydrophobicContact CB-CB 4.3Å; E117-F143 HydrophobicContact CB-CD1 3.72Å; E117-F143 HydrophobicContact CB-CD2 3.86Å; E117-F143 HydrophobicContact CB-CE1 3.92Å; E117-F143 HydrophobicContact CB-CE2 4.06Å; E117-F143 HydrophobicContact CB-CG 3.69Å; E117-F143 HydrophobicContact CB-CZ 4.09Å; E117-F143 HydrophobicContact CG-CB 4.06Å; E117-F143 HydrophobicContact CG-CD1 4.35Å; E117-F143 HydrophobicContact CG-CD2 3.73Å; E117-F143 HydrophobicContact CG-CE2 4.24Å; E117-F143 HydrophobicContact CG-CG 3.79Å; L120-F143 HydrophobicContact CB-CE2 4.26Å; L120-F143 HydrophobicContact CD1-CE2 4.01Å; L120-F143 HydrophobicContact CD1-CZ 4.46Å; F139-F143 WeakPolarHBondContact O-CD2 3.43Å; F139-F143 PolarHBondContact O-N 3.11Å; Q140-F143 PolarHBondContact O-N 2.83Å; D141-F143 PolarHBondContact O-N 3.41Å; F143-L146 HydrophobicContact CD1-CD1 4.4Å; F143-L146 PolarHBondContact O-N 3.08Å; F143-K147 WeakPolarHBondContact O-CB 3.48Å; F143-K147 VanDerWaalsContact O-CG 3.25Å; F143-K147 WeakPolarHBondContact O-CG 3.08Å; F143-K147 PolarHBondContact O-N 3.18Å; F143-I315 HydrophobicContact CZ-CG2 3.99Å
144	T	96.5	Very high	93.9	Very high	76 Å²	76	52.1 Å²	52.1	47%	0.466	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-47.5	175	-61.5	0	0	0	0	111	Q140 D141 L142 K147 R148	Q140-T144 WeakPolarHBondContact O-CB 3.35Å; Q140-T144 PolarHBondContact O-N 3.41Å; Q140-T144 PolarHBondContact O-OG1 3.22Å; D141-T144 WeakPolarHBondContact O-CB 3.32Å; D141-T144 PolarHBondContact O-N 3.49Å; L142-T144 VanDerWaalsContact C-N 3.32Å; L142-T144 PolarHBondContact O-N 2.84Å; T144-K147 PolarHBondContact O-N 3.32Å; T144-R148 WeakPolarHBondContact O-CB 3.36Å; T144-R148 PolarHBondContact O-N 2.75Å
145	E	95.7	Very high	93.7	Very high	53 Å²	53	46.1 Å²	46.1	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-70.9	-35.2	178.6	-70.9	-61.6	140.7	0	0	112.7	D141 L142 R148 Y149 V155 M160	D141-E145 PolarHBondContact O-N 3.31Å; L142-E145 PolarHBondContact O-N 2.85Å; E145-R148 PolarHBondContact O-N 2.97Å; E145-R148 IonicContact OE1-NH1 3.19Å; E145-R148 PolarHBondContact OE1-NH1 3.46Å; E145-R148 IonicContact OE2-NH1 2.79Å; E145-R148 PolarHBondContact OE2-NH1 2.84Å; E145-Y149 WeakPolarHBondContact O-CB 3.42Å; E145-Y149 PolarHBondContact O-N 2.86Å; E145-V155 VanDerWaalsContact OE2-CG2 3.25Å; E145-V155 WeakPolarHBondContact OE2-CG2 3.28Å; E145-M160 HydrophobicContact CB-CE 4.45Å; E145-M160 HydrophobicContact CB-CG 3.59Å; E145-M160 HydrophobicContact CB-SD 4.18Å; E145-M160 HydrophobicContact CG-CG 4.13Å
146	L	96	Very high	93.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-44.7	171.4	-73.1	173	0	0	0	111.9	L142 F143 Y150 L157 M160 V211 F215	L142-L146 HydrophobicContact CD1-CD1 4.07Å; L142-L146 HydrophobicContact CD1-CG 4.23Å; L142-L146 HydrophobicContact CG-CD1 4.11Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.18Å; L142-L146 PolarHBondContact O-N 2.89Å; F143-L146 HydrophobicContact CD1-CD1 4.4Å; F143-L146 PolarHBondContact O-N 3.08Å; L146-Y150 PolarHBondContact O-N 3.4Å; L146-Y150 VanDerWaalsContact O-N 3.14Å; L146-L157 HydrophobicContact CD2-CD2 4.1Å; L146-M160 HydrophobicContact CD2-CE 3.49Å; L146-M160 VanDerWaalsContact CD2-CE 3.49Å; L146-M160 HydrophobicContact CG-CE 3.87Å; L146-V211 HydrophobicContact CD2-CG1 3.85Å; L146-F215 HydrophobicContact CB-CE1 4.08Å; L146-F215 HydrophobicContact CB-CZ 3.92Å; L146-F215 HydrophobicContact CD1-CZ 4.32Å; L146-F215 HydrophobicContact CD2-CD2 4.46Å; L146-F215 HydrophobicContact CD2-CE1 4.09Å; L146-F215 HydrophobicContact CD2-CE2 3.86Å; L146-F215 HydrophobicContact CD2-CZ 3.64Å; L146-F215 HydrophobicContact CG-CZ 4.17Å
147	K	96.2	Very high	93.3	Very high	63 Å²	63	45.2 Å²	45.2	27%	0.274	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-45	174.5	-72.4	171.1	-170.2	175.3	0	110.8	L113 E117 F143 T144 Y150 T151	L113-K147 HydrophobicContact CB-CG 4.4Å; L113-K147 HydrophobicContact CD1-CG 3.78Å; E117-K147 WeakPolarHBondContact OE2-CE 3.08Å; E117-K147 IonicContact OE2-NZ 3.49Å; E117-K147 PolarHBondContact OE2-NZ 2.92Å; F143-K147 WeakPolarHBondContact O-CB 3.48Å; F143-K147 VanDerWaalsContact O-CG 3.25Å; F143-K147 WeakPolarHBondContact O-CG 3.08Å; F143-K147 PolarHBondContact O-N 3.18Å; T144-K147 PolarHBondContact O-N 3.32Å; K147-Y150 WeakPolarHBondContact O-CB 3.19Å; K147-Y150 PolarHBondContact O-N 2.94Å; K147-T151 WeakPolarHBondContact O-CG2 3.33Å; K147-T151 PolarHBondContact O-N 3.35Å; K147-T151 PolarHBondContact O-OG1 3.42Å
148	R	94.9	Very high	93.1	Very high	121 Å²	121	42 Å²	42	46%	0.457	23%	0.225	S	C	.	.	H	α-helix	trans	-61.7	-43.7	179.2	-174.8	-179.5	177.3	-157.7	-1.3	112.2	T144 E145 Y150 T151 G152 G153 V155	T144-R148 WeakPolarHBondContact O-CB 3.36Å; T144-R148 PolarHBondContact O-N 2.75Å; E145-R148 PolarHBondContact O-N 2.97Å; E145-R148 IonicContact OE1-NH1 3.19Å; E145-R148 PolarHBondContact OE1-NH1 3.46Å; E145-R148 IonicContact OE2-NH1 2.79Å; E145-R148 PolarHBondContact OE2-NH1 2.84Å; R148-Y150 VanDerWaalsContact C-N 3.34Å; R148-Y150 PolarHBondContact O-N 2.92Å; R148-T151 PolarHBondContact O-N 3.43Å; R148-T151 PolarHBondContact O-OG1 2.93Å; R148-T151 VanDerWaalsContact O-OG1 3.09Å; R148-G152 PolarHBondContact O-N 3.44Å; R148-G153 WeakPolarHBondContact O-CA 3.37Å; R148-G153 PolarHBondContact O-N 3.2Å; R148-V155 HydrophobicContact CB-CG2 4.23Å; R148-V155 HydrophobicContact CG-CG2 3.82Å
149	Y	94.2	Very high	93	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-57.4	-48.9	173.6	176	-91.5	0	0	0	110.8	E145 T151 G152 V155 L157 F215 I216 R219 D482	E145-Y149 WeakPolarHBondContact O-CB 3.42Å; E145-Y149 PolarHBondContact O-N 2.86Å; Y149-T151 PolarHBondContact O-N 3.48Å; Y149-G152 PolarHBondContact O-N 3.15Å; Y149-V155 HydrophobicContact CD2-CB 4.17Å; Y149-V155 WeakPolarHBondContact CD2-O 3.33Å; Y149-L157 HydrophobicContact CD1-CD1 3.77Å; Y149-L157 HydrophobicContact CD1-CD2 3.86Å; Y149-L157 HydrophobicContact CD1-CG 3.93Å; Y149-L157 HydrophobicContact CD2-CD1 4.11Å; Y149-L157 HydrophobicContact CD2-CD2 3.85Å; Y149-L157 HydrophobicContact CD2-CG 3.54Å; Y149-L157 HydrophobicContact CE1-CD1 3.48Å; Y149-L157 VanDerWaalsContact CE1-CD1 3.48Å; Y149-L157 HydrophobicContact CE1-CD2 4.43Å; Y149-L157 HydrophobicContact CE1-CG 4.01Å; Y149-L157 HydrophobicContact CE2-CD1 3.82Å; Y149-L157 HydrophobicContact CE2-CD2 4.39Å; Y149-L157 HydrophobicContact CE2-CG 3.6Å; Y149-L157 HydrophobicContact CG-CD1 4.07Å; Y149-L157 HydrophobicContact CG-CD2 3.53Å; Y149-L157 HydrophobicContact CG-CG 3.69Å; Y149-L157 VanDerWaalsContact CZ-CD1 3.47Å; Y149-F215 HydrophobicContact CD1-CB 4.07Å; Y149-F215 AromaticContact CD1-CD1 3.93Å; Y149-F215 HydrophobicContact CD1-CD1 3.93Å; Y149-F215 HydrophobicContact CD1-CG 4.43Å; Y149-F215 HydrophobicContact CE1-CB 3.81Å; Y149-F215 HydrophobicContact CE1-CD1 4.47Å; Y149-I216 VanDerWaalsContact OH-CG1 3.3Å; Y149-I216 WeakPolarHBondContact OH-CG1 3.47Å; Y149-R219 VanDerWaalsContact CD2-NH1 3.33Å; Y149-R219 HydrophobicContact CE1-CB 4.31Å; Y149-R219 WeakPolarHBondContact O-CD 3.47Å; Y149-R219 VanDerWaalsContact O-CZ 3.28Å; Y149-R219 PolarHBondContact O-NE 3.45Å; Y149-R219 PolarHBondContact O-NH1 2.97Å; Y149-D482 PolarHBondContact OH-OD2 3.31Å
150	Y	93.9	Very high	92.9	Very high	12 Å²	12	47.2 Å²	47.2	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-44.5	-179.3	173.3	-104.3	0	0	0	112.5	D106 F109 R110 L146 K147 R148 G152 V222	D106-Y150 WeakPolarHBondContact CA-OH 3.26Å; D106-Y150 WeakPolarHBondContact OD1-CE1 3.43Å; D106-Y150 PolarHBondContact OD1-OH 3.39Å; F109-Y150 HydrophobicContact CB-CE1 4.45Å; F109-Y150 HydrophobicContact CB-CE2 4.15Å; F109-Y150 AromaticContact CD1-CD1 3.82Å; F109-Y150 HydrophobicContact CD1-CD1 3.82Å; F109-Y150 AromaticContact CD1-CD2 3.38Å; F109-Y150 HydrophobicContact CD1-CD2 3.38Å; F109-Y150 AromaticContact CD1-CE1 3.79Å; F109-Y150 HydrophobicContact CD1-CE1 3.79Å; F109-Y150 AromaticContact CD1-CE2 3.34Å; F109-Y150 HydrophobicContact CD1-CE2 3.34Å; F109-Y150 AromaticContact CD1-CG 3.61Å; F109-Y150 HydrophobicContact CD1-CG 3.61Å; F109-Y150 AromaticContact CD1-CZ 3.54Å; F109-Y150 HydrophobicContact CD2-CE2 4.12Å; F109-Y150 HydrophobicContact CE1-CD1 4.13Å; F109-Y150 AromaticContact CE1-CD2 3.21Å; F109-Y150 HydrophobicContact CE1-CD2 3.21Å; F109-Y150 HydrophobicContact CE1-CE1 4.5Å; F109-Y150 AromaticContact CE1-CE2 3.66Å; F109-Y150 HydrophobicContact CE1-CE2 3.66Å; F109-Y150 AromaticContact CE1-CG 3.47Å; F109-Y150 HydrophobicContact CE1-CG 3.47Å; F109-Y150 VanDerWaalsContact CE1-CG 3.47Å; F109-Y150 HydrophobicContact CE2-CD2 4.43Å; F109-Y150 HydrophobicContact CE2-CE2 4.39Å; F109-Y150 HydrophobicContact CG-CD2 4.08Å; F109-Y150 HydrophobicContact CG-CE1 4.4Å; F109-Y150 AromaticContact CG-CE2 3.6Å; F109-Y150 HydrophobicContact CG-CE2 3.6Å; F109-Y150 AromaticContact CG-CZ 3.77Å; F109-Y150 AromaticContact CZ-CD2 3.8Å; F109-Y150 HydrophobicContact CZ-CD2 3.8Å; F109-Y150 HydrophobicContact CZ-CE2 4.19Å; F109-Y150 HydrophobicContact CZ-CG 4.42Å; R110-Y150 HydrophobicContact CG-CE1 4.27Å; L146-Y150 PolarHBondContact O-N 3.4Å; L146-Y150 VanDerWaalsContact O-N 3.14Å; K147-Y150 WeakPolarHBondContact O-CB 3.19Å; K147-Y150 PolarHBondContact O-N 2.94Å; R148-Y150 VanDerWaalsContact C-N 3.34Å; R148-Y150 PolarHBondContact O-N 2.92Å; Y150-G152 PolarHBondContact O-N 2.89Å; Y150-G152 VanDerWaalsContact O-N 3.12Å; Y150-V222 HydrophobicContact CE2-CG2 4.2Å; Y150-V222 WeakPolarHBondContact OH-CG2 3.33Å
151	T	91.8	Very high	92.8	Very high	80 Å²	80	43.1 Å²	43.1	49%	0.491	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-2.8	-178.4	54.8	0	0	0	0	114.6	K147 R148 Y149	K147-T151 WeakPolarHBondContact O-CG2 3.33Å; K147-T151 PolarHBondContact O-N 3.35Å; K147-T151 PolarHBondContact O-OG1 3.42Å; R148-T151 PolarHBondContact O-N 3.43Å; R148-T151 PolarHBondContact O-OG1 2.93Å; R148-T151 VanDerWaalsContact O-OG1 3.09Å; Y149-T151 PolarHBondContact O-N 3.48Å
152	G	84.9	Confident	92.6	Very high	40 Å²	40	44.3 Å²	44.3	41%	0.412	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.8	4.2	176.8	0	0	0	0	0	114.9	R148 Y149 Y150 R219	R148-G152 PolarHBondContact O-N 3.44Å; Y149-G152 PolarHBondContact O-N 3.15Å; Y150-G152 PolarHBondContact O-N 2.89Å; Y150-G152 VanDerWaalsContact O-N 3.12Å; G152-R219 VanDerWaalsContact CA-NH2 3.35Å; G152-R219 PolarHBondContact O-NH2 2.98Å
153	G	83.5	Confident	92.4	Very high	18 Å²	18	47.8 Å²	47.8	19%	0.186	25%	0.254	C	S	.	.			trans	-60.4	151.5	177.7	0	0	0	0	0	112.6	R148 V155	R148-G153 WeakPolarHBondContact O-CA 3.37Å; R148-G153 PolarHBondContact O-N 3.2Å; G153-V155 PolarHBondContact O-N 3.16Å
154	N	86.3	Confident	92.4	Very high	135 Å²	135	48.1 Å²	48.1	72%	0.722	26%	0.256	S	S	*	.			trans	-77	73.7	175.3	-165.2	35.9	0	0	0	110	F485	N154-F485 WeakPolarHBondContact OD1-CE1 3.3Å; N154-F485 WeakPolarHBondContact OD1-CZ 3.49Å
155	V	88	Confident	92.3	Very high	8 Å²	8	45 Å²	45	5%	0.048	24%	0.236	C	C	.	.			trans	-120	126.7	-177.6	-179.9	0	0	0	0	108.6	E145 R148 Y149 G153 M160 F485	E145-V155 VanDerWaalsContact OE2-CG2 3.25Å; E145-V155 WeakPolarHBondContact OE2-CG2 3.28Å; R148-V155 HydrophobicContact CB-CG2 4.23Å; R148-V155 HydrophobicContact CG-CG2 3.82Å; Y149-V155 HydrophobicContact CD2-CB 4.17Å; Y149-V155 WeakPolarHBondContact CD2-O 3.33Å; G153-V155 PolarHBondContact O-N 3.16Å; V155-M160 HydrophobicContact CG1-CB 4.17Å; V155-M160 HydrophobicContact CG1-CG 4.44Å; V155-F485 VanDerWaalsContact C-CZ 3.49Å; V155-F485 WeakPolarHBondContact O-CE2 3.3Å; V155-F485 WeakPolarHBondContact O-CZ 3.38Å
156	N	91.1	Very high	92.1	Very high	32 Å²	32	43.9 Å²	43.9	17%	0.171	24%	0.235	C	C	.	.			trans	-85.4	113.1	167.6	-175.9	-31.4	0	0	0	108.5	E158 E159 M160 F485	N156-E158 VanDerWaalsContact C-N 3.27Å; N156-E158 PolarHBondContact O-N 3.39Å; N156-E158 WeakPolarHBondContact OD1-CB 3.49Å; N156-E158 PolarHBondContact OD1-N 3.11Å; N156-E159 HydrophobicContact CB-CB 3.93Å; N156-E159 PolarHBondContact O-N 2.84Å; N156-E159 PolarHBondContact OD1-N 3.39Å; N156-M160 VanDerWaalsContact O-CB 3.29Å; N156-M160 WeakPolarHBondContact O-CB 3.42Å; N156-M160 PolarHBondContact O-N 3.43Å; N156-F485 HydrophobicContact CB-CD1 4.05Å; N156-F485 HydrophobicContact CB-CE1 4.2Å; N156-F485 HydrophobicContact CB-CG 4.43Å
157	L	91.9	Very high	92	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-35	-178.7	-75.6	177.7	0	0	0	112.9	L146 Y149 M160 L161 F215	L146-L157 HydrophobicContact CD2-CD2 4.1Å; Y149-L157 HydrophobicContact CD1-CD1 3.77Å; Y149-L157 HydrophobicContact CD1-CD2 3.86Å; Y149-L157 HydrophobicContact CD1-CG 3.93Å; Y149-L157 HydrophobicContact CD2-CD1 4.11Å; Y149-L157 HydrophobicContact CD2-CD2 3.85Å; Y149-L157 HydrophobicContact CD2-CG 3.54Å; Y149-L157 HydrophobicContact CE1-CD1 3.48Å; Y149-L157 VanDerWaalsContact CE1-CD1 3.48Å; Y149-L157 HydrophobicContact CE1-CD2 4.43Å; Y149-L157 HydrophobicContact CE1-CG 4.01Å; Y149-L157 HydrophobicContact CE2-CD1 3.82Å; Y149-L157 HydrophobicContact CE2-CD2 4.39Å; Y149-L157 HydrophobicContact CE2-CG 3.6Å; Y149-L157 HydrophobicContact CG-CD1 4.07Å; Y149-L157 HydrophobicContact CG-CD2 3.53Å; Y149-L157 HydrophobicContact CG-CG 3.69Å; Y149-L157 VanDerWaalsContact CZ-CD1 3.47Å; L157-M160 HydrophobicContact CD2-CE 3.79Å; L157-L161 WeakPolarHBondContact O-CB 3.24Å; L157-L161 WeakPolarHBondContact O-CD1 3.47Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.49Å; L157-F215 HydrophobicContact CD1-CB 3.61Å; L157-F215 HydrophobicContact CD1-CG 4.36Å
158	E	91.9	Very high	91.9	Very high	61 Å²	61	47 Å²	47	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-69.4	-47.1	-179.1	-63.2	-144.4	179.1	0	0	111.3	N156 L161 N162 K208	N156-E158 VanDerWaalsContact C-N 3.27Å; N156-E158 PolarHBondContact O-N 3.39Å; N156-E158 WeakPolarHBondContact OD1-CB 3.49Å; N156-E158 PolarHBondContact OD1-N 3.11Å; E158-L161 PolarHBondContact O-N 2.91Å; E158-N162 WeakPolarHBondContact O-CB 3.32Å; E158-N162 PolarHBondContact O-N 3.34Å; E158-N162 PolarHBondContact O-ND2 3.13Å; E158-N162 VanDerWaalsContact O-ND2 3.12Å; E158-N162 PolarHBondContact O-OD1 2.96Å; E158-K208 HydrophobicContact CB-CD 4.29Å; E158-K208 HydrophobicContact CG-CD 4.31Å; E158-K208 IonicContact OE2-NZ 3.24Å; E158-K208 PolarHBondContact OE2-NZ 3.07Å
159	E	92.2	Very high	91.8	Very high	116 Å²	116	41.4 Å²	41.4	54%	0.542	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-49.8	175.7	-172.6	178.3	-177.8	0	0	111	N156 L161 N162 D163	N156-E159 HydrophobicContact CB-CB 3.93Å; N156-E159 PolarHBondContact O-N 2.84Å; N156-E159 PolarHBondContact OD1-N 3.39Å; E159-L161 VanDerWaalsContact C-N 3.32Å; E159-L161 PolarHBondContact O-N 3.28Å; E159-N162 WeakPolarHBondContact O-CB 3.33Å; E159-N162 PolarHBondContact O-N 3.12Å; E159-N162 VanDerWaalsContact O-N 3.1Å; E159-D163 PolarHBondContact O-N 3.22Å
160	M	94.5	Very high	91.7	Very high	19 Å²	19	43.9 Å²	43.9	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-42.7	178.7	178.7	-81.5	-71.6	0	0	112.5	L142 E145 L146 V155 N156 L157 D163 F164	L142-M160 HydrophobicContact CD1-CE 4.21Å; L142-M160 HydrophobicContact CD1-SD 3.56Å; L142-M160 VanDerWaalsContact CD1-SD 3.56Å; E145-M160 HydrophobicContact CB-CE 4.45Å; E145-M160 HydrophobicContact CB-CG 3.59Å; E145-M160 HydrophobicContact CB-SD 4.18Å; E145-M160 HydrophobicContact CG-CG 4.13Å; L146-M160 HydrophobicContact CD2-CE 3.49Å; L146-M160 VanDerWaalsContact CD2-CE 3.49Å; L146-M160 HydrophobicContact CG-CE 3.87Å; V155-M160 HydrophobicContact CG1-CB 4.17Å; V155-M160 HydrophobicContact CG1-CG 4.44Å; N156-M160 VanDerWaalsContact O-CB 3.29Å; N156-M160 WeakPolarHBondContact O-CB 3.42Å; N156-M160 PolarHBondContact O-N 3.43Å; L157-M160 HydrophobicContact CD2-CE 3.79Å; M160-D163 PolarHBondContact O-N 2.94Å; M160-F164 PolarHBondContact O-N 3.25Å
161	L	94.7	Very high	91.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-39.6	176.9	-72.8	171.5	0	0	0	111.5	L142 L157 E158 E159 D163 F164 W165 K208 V211	L142-L161 HydrophobicContact CD1-CD2 3.96Å; L157-L161 WeakPolarHBondContact O-CB 3.24Å; L157-L161 WeakPolarHBondContact O-CD1 3.47Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.49Å; E158-L161 PolarHBondContact O-N 2.91Å; E159-L161 VanDerWaalsContact C-N 3.32Å; E159-L161 PolarHBondContact O-N 3.28Å; L161-D163 VanDerWaalsContact C-N 3.35Å; L161-F164 PolarHBondContact O-N 3.35Å; L161-W165 PolarHBondContact O-N 3.08Å; L161-W165 VanDerWaalsContact O-N 3.09Å; L161-K208 HydrophobicContact CD1-CB 4.33Å; L161-K208 HydrophobicContact CD1-CG 4.14Å; L161-V211 HydrophobicContact CD1-CB 4.04Å; L161-V211 HydrophobicContact CD1-CG1 3.97Å
162	N	93	Very high	91.6	Very high	83 Å²	83	45.3 Å²	45.3	44%	0.444	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-43.9	175.4	-67	-26	0	0	0	111.2	E158 E159 W165 A166	E158-N162 WeakPolarHBondContact O-CB 3.32Å; E158-N162 PolarHBondContact O-N 3.34Å; E158-N162 PolarHBondContact O-ND2 3.13Å; E158-N162 VanDerWaalsContact O-ND2 3.12Å; E158-N162 PolarHBondContact O-OD1 2.96Å; E159-N162 WeakPolarHBondContact O-CB 3.33Å; E159-N162 PolarHBondContact O-N 3.12Å; E159-N162 VanDerWaalsContact O-N 3.1Å; N162-W165 PolarHBondContact O-N 3.43Å; N162-A166 WeakPolarHBondContact O-CB 2.96Å; N162-A166 PolarHBondContact O-N 3.45Å
163	D	93	Very high	91.9	Very high	77 Å²	77	43.4 Å²	43.4	41%	0.412	21%	0.214	S	C	.	.	H	α-helix	trans	-62	-43.1	176.5	-75.6	-7.6	0	0	0	112	E159 M160 L161 W165 A166 R167	E159-D163 PolarHBondContact O-N 3.22Å; M160-D163 PolarHBondContact O-N 2.94Å; L161-D163 VanDerWaalsContact C-N 3.35Å; D163-W165 VanDerWaalsContact C-N 3.34Å; D163-W165 PolarHBondContact O-N 2.82Å; D163-A166 PolarHBondContact O-N 2.73Å; D163-R167 WeakPolarHBondContact O-CB 3.33Å; D163-R167 VanDerWaalsContact O-CG 3.31Å; D163-R167 WeakPolarHBondContact O-CG 3.15Å; D163-R167 PolarHBondContact O-N 2.95Å
164	F	95.6	Very high	92.3	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-56.5	-48.2	173.9	164.9	-102.3	0	0	0	111.4	V138 F139 L142 M160 L161 R167 L168 I319	V138-F164 HydrophobicContact CG1-CD2 4.02Å; V138-F164 HydrophobicContact CG1-CE2 4.05Å; F139-F164 AromaticContact CD1-CE2 3.92Å; F139-F164 HydrophobicContact CD1-CE2 3.92Å; F139-F164 HydrophobicContact CD1-CZ 4.11Å; F139-F164 HydrophobicContact CE1-CE2 4.11Å; F139-F164 HydrophobicContact CE1-CZ 4.03Å; L142-F164 HydrophobicContact CB-CD2 3.87Å; L142-F164 HydrophobicContact CB-CE2 4.23Å; L142-F164 HydrophobicContact CB-CG 4.46Å; L142-F164 HydrophobicContact CD1-CB 4.36Å; L142-F164 HydrophobicContact CD1-CD2 4.43Å; L142-F164 HydrophobicContact CD1-CG 4.2Å; L142-F164 HydrophobicContact CD2-CD1 4.29Å; L142-F164 HydrophobicContact CD2-CD2 3.92Å; L142-F164 HydrophobicContact CD2-CE1 4.12Å; L142-F164 HydrophobicContact CD2-CE2 3.74Å; L142-F164 HydrophobicContact CD2-CG 4.19Å; L142-F164 HydrophobicContact CD2-CZ 3.84Å; L142-F164 HydrophobicContact CG-CD2 4.29Å; M160-F164 PolarHBondContact O-N 3.25Å; L161-F164 PolarHBondContact O-N 3.35Å; F164-R167 PolarHBondContact O-N 2.96Å; F164-L168 HydrophobicContact CE1-CD2 4.34Å; F164-L168 HydrophobicContact CZ-CD2 4.07Å; F164-L168 WeakPolarHBondContact O-CB 3.38Å; F164-L168 PolarHBondContact O-N 3.33Å; F164-I319 HydrophobicContact CE1-CD1 4.47Å; F164-I319 HydrophobicContact CZ-CD1 4.14Å; F164-I319 HydrophobicContact CZ-CG2 4.35Å
165	W	94.9	Very high	92.5	Very high	11 Å²	11	41.6 Å²	41.6	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-37.6	179.8	-69	117.7	0	0	0	112.7	L161 N162 D163 L168 L169 F200 V203 P204 L207 I319 A322	L161-W165 PolarHBondContact O-N 3.08Å; L161-W165 VanDerWaalsContact O-N 3.09Å; N162-W165 PolarHBondContact O-N 3.43Å; D163-W165 VanDerWaalsContact C-N 3.34Å; D163-W165 PolarHBondContact O-N 2.82Å; W165-L168 HydrophobicContact CE3-CD2 3.95Å; W165-L168 HydrophobicContact CZ3-CD2 3.83Å; W165-L168 PolarHBondContact O-N 3.01Å; W165-L169 WeakPolarHBondContact O-CB 3.25Å; W165-L169 PolarHBondContact O-N 2.87Å; W165-F200 AromaticContact CE3-CD2 3.74Å; W165-F200 HydrophobicContact CE3-CD2 3.74Å; W165-F200 AromaticContact CE3-CE2 3.94Å; W165-F200 HydrophobicContact CE3-CE2 3.94Å; W165-F200 HydrophobicContact CE3-CG 4.1Å; W165-F200 HydrophobicContact CE3-CZ 4.46Å; W165-F200 HydrophobicContact CZ3-CD1 4.49Å; W165-F200 HydrophobicContact CZ3-CD2 4.32Å; W165-F200 HydrophobicContact CZ3-CG 4.21Å; W165-F200 WeakPolarHBondContact O-CE2 3.44Å; W165-V203 HydrophobicContact CH2-CG1 4.2Å; W165-P204 HydrophobicContact CD2-CB 3.82Å; W165-P204 HydrophobicContact CD2-CG 3.75Å; W165-P204 HydrophobicContact CE3-CG 3.95Å; W165-P204 HydrophobicContact CG-CB 3.91Å; W165-P204 HydrophobicContact CG-CG 4.19Å; W165-P204 HydrophobicContact CH2-CG 4.32Å; W165-P204 HydrophobicContact CZ2-CB 4.15Å; W165-P204 HydrophobicContact CZ2-CG 4.13Å; W165-P204 HydrophobicContact CZ3-CG 4.24Å; W165-L207 HydrophobicContact CH2-CD2 4.46Å; W165-L207 HydrophobicContact CZ2-CB 4.39Å; W165-L207 HydrophobicContact CZ2-CD2 3.7Å; W165-I319 HydrophobicContact CH2-CG1 4.49Å; W165-A322 HydrophobicContact CH2-CB 3.68Å; W165-A322 HydrophobicContact CZ3-CB 3.56Å
166	A	92.5	Very high	92.6	Very high	29 Å²	29	42.5 Å²	42.5	24%	0.24	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-50.5	175.3	0	0	0	0	0	111.1	N162 D163 L168 L169 E170	N162-A166 WeakPolarHBondContact O-CB 2.96Å; N162-A166 PolarHBondContact O-N 3.45Å; D163-A166 PolarHBondContact O-N 2.73Å; A166-L168 VanDerWaalsContact C-N 3.32Å; A166-L168 PolarHBondContact O-N 3.41Å; A166-L169 WeakPolarHBondContact O-CB 3.3Å; A166-L169 PolarHBondContact O-N 2.59Å; A166-L169 VanDerWaalsContact O-N 3.11Å; A166-E170 WeakPolarHBondContact O-CG 3.41Å; A166-E170 PolarHBondContact O-N 3.44Å
167	R	92.9	Very high	92.6	Very high	121 Å²	121	41.4 Å²	41.4	46%	0.457	20%	0.196	S	C	.	.	H	α-helix	trans	-58.7	-43.3	176	-70.7	177.4	-177.3	-162.7	4	111.7	V138 D141 D163 F164 L169 E170 R171	V138-R167 HydrophobicContact CG1-CB 4.27Å; D141-R167 IonicContact OD2-NH1 2.61Å; D141-R167 PolarHBondContact OD2-NH1 3.49Å; D163-R167 WeakPolarHBondContact O-CB 3.33Å; D163-R167 VanDerWaalsContact O-CG 3.31Å; D163-R167 WeakPolarHBondContact O-CG 3.15Å; D163-R167 PolarHBondContact O-N 2.95Å; F164-R167 PolarHBondContact O-N 2.96Å; R167-L169 VanDerWaalsContact C-N 3.32Å; R167-L169 PolarHBondContact O-N 3.22Å; R167-E170 PolarHBondContact O-N 2.97Å; R167-R171 WeakPolarHBondContact O-CG 3.33Å; R167-R171 PolarHBondContact O-N 3.18Å; R167-R171 VanDerWaalsContact O-N 3.11Å
168	L	94.2	Very high	92.5	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-40.1	177.4	-174.9	61.6	0	0	0	111.5	F139 F164 W165 A166 R171 M172 F200 I323	F139-L168 HydrophobicContact CE1-CD1 4.37Å; F139-L168 HydrophobicContact CZ-CD1 3.79Å; F164-L168 HydrophobicContact CE1-CD2 4.34Å; F164-L168 HydrophobicContact CZ-CD2 4.07Å; F164-L168 WeakPolarHBondContact O-CB 3.38Å; F164-L168 PolarHBondContact O-N 3.33Å; W165-L168 HydrophobicContact CE3-CD2 3.95Å; W165-L168 HydrophobicContact CZ3-CD2 3.83Å; W165-L168 PolarHBondContact O-N 3.01Å; A166-L168 VanDerWaalsContact C-N 3.32Å; A166-L168 PolarHBondContact O-N 3.41Å; L168-R171 PolarHBondContact O-N 3.2Å; L168-M172 HydrophobicContact CD1-CG 4.22Å; L168-M172 HydrophobicContact CD1-SD 4.39Å; L168-M172 HydrophobicContact CG-CG 4.41Å; L168-M172 HydrophobicContact CG-SD 4.28Å; L168-M172 WeakPolarHBondContact O-CB 3.44Å; L168-M172 VanDerWaalsContact O-CG 3.3Å; L168-M172 WeakPolarHBondContact O-CG 3.48Å; L168-M172 PolarHBondContact O-N 3.4Å; L168-F200 HydrophobicContact CB-CZ 4.17Å; L168-F200 HydrophobicContact CD2-CE1 4.12Å; L168-F200 HydrophobicContact CD2-CZ 4.1Å; L168-F200 HydrophobicContact CG-CE1 4.2Å; L168-F200 HydrophobicContact CG-CZ 3.91Å; L168-I323 HydrophobicContact CD2-CG1 4.39Å
169	L	92.9	Very high	92.5	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-48.2	177.1	178.2	60.2	0	0	0	111.3	W165 A166 R167 R171 M172 F173 V190 T194 P199 F200 M326	W165-L169 WeakPolarHBondContact O-CB 3.25Å; W165-L169 PolarHBondContact O-N 2.87Å; A166-L169 WeakPolarHBondContact O-CB 3.3Å; A166-L169 PolarHBondContact O-N 2.59Å; A166-L169 VanDerWaalsContact O-N 3.11Å; R167-L169 VanDerWaalsContact C-N 3.32Å; R167-L169 PolarHBondContact O-N 3.22Å; L169-R171 PolarHBondContact O-N 3.39Å; L169-M172 PolarHBondContact O-N 3.02Å; L169-F173 WeakPolarHBondContact O-CB 3.38Å; L169-F173 PolarHBondContact O-N 3.24Å; L169-V190 HydrophobicContact CD2-CG1 4.2Å; L169-V190 HydrophobicContact CG-CG1 4.3Å; L169-T194 HydrophobicContact CD2-CG2 4.21Å; L169-T194 WeakPolarHBondContact CD2-OG1 3.44Å; L169-P199 HydrophobicContact CD1-CB 3.83Å; L169-P199 HydrophobicContact CD1-CG 3.65Å; L169-P199 HydrophobicContact CD2-CG 4.1Å; L169-P199 HydrophobicContact CG-CG 4.47Å; L169-F200 HydrophobicContact CB-CE2 3.88Å; L169-F200 HydrophobicContact CB-CZ 3.94Å; L169-F200 HydrophobicContact CD1-CE2 4.49Å; L169-F200 HydrophobicContact CD1-CZ 4.36Å; L169-M326 HydrophobicContact CD1-CE 3.72Å; L169-M326 HydrophobicContact CD1-SD 4.13Å
170	E	91.5	Very high	92.4	Very high	54 Å²	54	44.6 Å²	44.6	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-47.6	179.5	-68.3	177.6	-173.5	0	0	111.6	A166 R167 F173 Q174 L187 S191	A166-E170 WeakPolarHBondContact O-CG 3.41Å; A166-E170 PolarHBondContact O-N 3.44Å; R167-E170 PolarHBondContact O-N 2.97Å; E170-F173 PolarHBondContact O-N 3.25Å; E170-Q174 WeakPolarHBondContact O-CG 3.42Å; E170-Q174 PolarHBondContact O-N 3.04Å; E170-Q174 VanDerWaalsContact O-N 3.1Å; E170-L187 HydrophobicContact CB-CD1 4.41Å; E170-L187 HydrophobicContact CB-CD2 4.25Å; E170-L187 HydrophobicContact CG-CB 3.99Å; E170-L187 HydrophobicContact CG-CD2 4.38Å; E170-S191 PolarHBondContact OE1-OG 3.42Å
171	R	92	Very high	92.2	Very high	107 Å²	107	49.1 Å²	49.1	40%	0.404	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-47	177.1	-63.4	-57.7	-178.6	177.7	2.8	111.8	V138 R167 L168 L169 F173 Q174 L175	V138-R171 HydrophobicContact CG2-CG 4.29Å; R167-R171 WeakPolarHBondContact O-CG 3.33Å; R167-R171 PolarHBondContact O-N 3.18Å; R167-R171 VanDerWaalsContact O-N 3.11Å; L168-R171 PolarHBondContact O-N 3.2Å; L169-R171 PolarHBondContact O-N 3.39Å; R171-F173 VanDerWaalsContact C-N 3.34Å; R171-F173 PolarHBondContact O-N 3.06Å; R171-Q174 PolarHBondContact O-N 2.98Å; R171-L175 VanDerWaalsContact O-CG 3.29Å; R171-L175 WeakPolarHBondContact O-CG 3.48Å; R171-L175 PolarHBondContact O-N 3.33Å
172	M	91.7	Very high	92.1	Very high	15 Å²	15	49.7 Å²	49.7	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-38.8	179.1	-75.9	-164.5	68.7	0	0	112.5	L168 L169 L175 I176 F200 I323 M326 Q327	L168-M172 HydrophobicContact CD1-CG 4.22Å; L168-M172 HydrophobicContact CD1-SD 4.39Å; L168-M172 HydrophobicContact CG-CG 4.41Å; L168-M172 HydrophobicContact CG-SD 4.28Å; L168-M172 WeakPolarHBondContact O-CB 3.44Å; L168-M172 VanDerWaalsContact O-CG 3.3Å; L168-M172 WeakPolarHBondContact O-CG 3.48Å; L168-M172 PolarHBondContact O-N 3.4Å; L169-M172 PolarHBondContact O-N 3.02Å; M172-L175 PolarHBondContact O-N 3.38Å; M172-I176 HydrophobicContact CE-CD1 4.46Å; M172-I176 WeakPolarHBondContact O-CB 3.23Å; M172-I176 WeakPolarHBondContact O-CG1 3.3Å; M172-I176 PolarHBondContact O-N 2.95Å; M172-F200 HydrophobicContact SD-CE1 3.64Å; M172-F200 HydrophobicContact SD-CZ 4.37Å; M172-I323 HydrophobicContact CE-CB 4.24Å; M172-I323 HydrophobicContact CE-CG2 3.67Å; M172-I323 WeakPolarHBondContact CE-O 3.47Å; M172-I323 HydrophobicContact SD-CB 4.22Å; M172-I323 HydrophobicContact SD-CG1 3.91Å; M172-I323 HydrophobicContact SD-CG2 4.11Å; M172-M326 HydrophobicContact CB-CG 4.26Å; M172-M326 HydrophobicContact CE-CB 3.67Å; M172-M326 HydrophobicContact CE-CG 3.5Å; M172-M326 HydrophobicContact SD-CB 4.12Å; M172-M326 HydrophobicContact SD-CG 3.95Å; M172-Q327 HydrophobicContact CE-CG 4.09Å
173	F	91.9	Very high	92	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-41.6	178.9	-169.5	-100.7	0	0	0	111.8	L169 E170 R171 N177 F182 Y186 V190 M326 V333 V337 F338	L169-F173 WeakPolarHBondContact O-CB 3.38Å; L169-F173 PolarHBondContact O-N 3.24Å; E170-F173 PolarHBondContact O-N 3.25Å; R171-F173 VanDerWaalsContact C-N 3.34Å; R171-F173 PolarHBondContact O-N 3.06Å; F173-N177 WeakPolarHBondContact O-CB 3.38Å; F173-N177 PolarHBondContact O-N 3.06Å; F173-N177 VanDerWaalsContact O-N 3.17Å; F173-N177 PolarHBondContact O-ND2 3.44Å; F173-F182 HydrophobicContact CD1-CD1 4.49Å; F173-F182 HydrophobicContact CD1-CD2 4.46Å; F173-F182 HydrophobicContact CD1-CE1 4.16Å; F173-F182 HydrophobicContact CD1-CE2 4.12Å; F173-F182 AromaticContact CD1-CZ 3.94Å; F173-F182 HydrophobicContact CD1-CZ 3.94Å; F173-F182 HydrophobicContact CE1-CD1 4.03Å; F173-F182 AromaticContact CE1-CE1 3.44Å; F173-F182 HydrophobicContact CE1-CE1 3.44Å; F173-F182 VanDerWaalsContact CE1-CE1 3.44Å; F173-F182 HydrophobicContact CE1-CE2 4.14Å; F173-F182 AromaticContact CE1-CZ 3.48Å; F173-F182 HydrophobicContact CE1-CZ 3.48Å; F173-F182 VanDerWaalsContact CE1-CZ 3.48Å; F173-F182 HydrophobicContact CZ-CE1 4.36Å; F173-F182 HydrophobicContact CZ-CZ 4.36Å; F173-Y186 HydrophobicContact CE1-CE1 4.09Å; F173-V190 HydrophobicContact CD1-CG1 4.49Å; F173-V190 HydrophobicContact CD1-CG2 4.04Å; F173-V190 HydrophobicContact CD2-CG1 4.27Å; F173-V190 HydrophobicContact CE1-CG2 3.86Å; F173-V190 HydrophobicContact CG-CG1 4.22Å; F173-V190 HydrophobicContact CZ-CG2 4.28Å; F173-M326 HydrophobicContact CD2-CE 4.39Å; F173-V333 HydrophobicContact CD2-CG1 4.4Å; F173-V333 HydrophobicContact CE2-CG1 4.4Å; F173-V337 HydrophobicContact CE1-CG1 4.28Å; F173-V337 HydrophobicContact CE2-CB 4.11Å; F173-V337 HydrophobicContact CE2-CG1 4.09Å; F173-V337 HydrophobicContact CE2-CG2 4.21Å; F173-V337 HydrophobicContact CZ-CB 4.02Å; F173-V337 HydrophobicContact CZ-CG1 3.58Å; F173-F338 HydrophobicContact CE1-CE1 4.33Å; F173-F338 HydrophobicContact CZ-CD1 4.39Å; F173-F338 AromaticContact CZ-CE1 3.74Å; F173-F338 HydrophobicContact CZ-CE1 3.74Å; F173-F338 HydrophobicContact CZ-CZ 4.49Å
174	Q	91.6	Very high	91.9	Very high	63 Å²	63	52.7 Å²	52.7	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-44.5	172	-70.5	176.9	-19.9	0	0	112	E170 R171 N177 F182 L187	E170-Q174 WeakPolarHBondContact O-CG 3.42Å; E170-Q174 PolarHBondContact O-N 3.04Å; E170-Q174 VanDerWaalsContact O-N 3.1Å; R171-Q174 PolarHBondContact O-N 2.98Å; Q174-N177 CarbonylContact O-C 3.6Å; Q174-N177 PolarHBondContact O-N 3.38Å; Q174-F182 HydrophobicContact CG-CD2 4Å; Q174-L187 HydrophobicContact CG-CD2 4.23Å
175	L	90.8	Very high	91.6	Very high	52 Å²	52	58.2 Å²	58.2	27%	0.272	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-36.2	-179.2	-71.7	174	0	0	0	113.1	L131 R171 M172 N177 P178 F360	L131-L175 HydrophobicContact CD2-CD2 4.03Å; R171-L175 VanDerWaalsContact O-CG 3.29Å; R171-L175 WeakPolarHBondContact O-CG 3.48Å; R171-L175 PolarHBondContact O-N 3.33Å; M172-L175 PolarHBondContact O-N 3.38Å; L175-N177 VanDerWaalsContact C-N 3.34Å; L175-P178 WeakPolarHBondContact O-CD 3.49Å; L175-F360 HydrophobicContact CB-CE2 4.4Å; L175-F360 HydrophobicContact CB-CZ 4.16Å; L175-F360 WeakPolarHBondContact O-CE2 3.48Å; L175-F360 VanDerWaalsContact O-CZ 3.23Å; L175-F360 WeakPolarHBondContact O-CZ 3.21Å
176	I	90.3	Very high	91.5	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.138	29%	0.288	C	S	.	.	H	α-helix	trans	-73.6	-27.4	177.8	-75	163.2	0	0	0	111.7	M172 P178 M326 F360	M172-I176 HydrophobicContact CE-CD1 4.46Å; M172-I176 WeakPolarHBondContact O-CB 3.23Å; M172-I176 WeakPolarHBondContact O-CG1 3.3Å; M172-I176 PolarHBondContact O-N 2.95Å; I176-P178 VanDerWaalsContact O-CD 3.26Å; I176-P178 WeakPolarHBondContact O-CD 3.39Å; I176-M326 HydrophobicContact CD1-CE 3.85Å; I176-M326 HydrophobicContact CD1-CG 4.15Å; I176-F360 HydrophobicContact CG1-CE1 4.21Å; I176-F360 HydrophobicContact CG1-CZ 4.45Å
177	N	90.7	Very high	91.5	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.043	28%	0.28	C	S	.	.			trans	-120.1	55.6	-175.7	-68.6	-70.7	0	0	0	113	F173 Q174 L175 Q179 Y180 F182 S334	F173-N177 WeakPolarHBondContact O-CB 3.38Å; F173-N177 PolarHBondContact O-N 3.06Å; F173-N177 VanDerWaalsContact O-N 3.17Å; F173-N177 PolarHBondContact O-ND2 3.44Å; Q174-N177 CarbonylContact O-C 3.6Å; Q174-N177 PolarHBondContact O-N 3.38Å; L175-N177 VanDerWaalsContact C-N 3.34Å; N177-Q179 VanDerWaalsContact C-OE1 3.29Å; N177-Q179 PolarHBondContact O-N 3.45Å; N177-Q179 VanDerWaalsContact O-N 3.1Å; N177-Y180 HydrophobicContact CB-CD2 4.2Å; N177-Y180 PolarHBondContact O-N 2.96Å; N177-Y180 VanDerWaalsContact O-N 3.14Å; N177-F182 HydrophobicContact CB-CE2 3.74Å; N177-F182 HydrophobicContact CB-CZ 3.6Å; N177-S334 PolarHBondContact ND2-OG 3.4Å
178	P	90.7	Very high	91.3	Very high	89 Å²	89	57.4 Å²	57.4	58%	0.578	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.2	-173.1	29.1	-37.4	0	0	0	113.9	L175 I176 Y180	L175-P178 WeakPolarHBondContact O-CD 3.49Å; I176-P178 VanDerWaalsContact O-CD 3.26Å; I176-P178 WeakPolarHBondContact O-CD 3.39Å; P178-Y180 PolarHBondContact O-N 2.93Å
179	Q	90	Very high	91.2	Very high	101 Å²	101	58.3 Å²	58.3	47%	0.472	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.5	177.9	68.9	-80.9	10.9	0	0	113.8	N177 A347	N177-Q179 VanDerWaalsContact C-OE1 3.29Å; N177-Q179 PolarHBondContact O-N 3.45Å; N177-Q179 VanDerWaalsContact O-N 3.1Å; Q179-A347 WeakPolarHBondContact O-CB 3.29Å; Q179-A347 PolarHBondContact O-N 3.19Å
180	Y	91.7	Very high	91.1	Very high	58 Å²	58	58.2 Å²	58.2	23%	0.227	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.1	-178.7	-62.8	-65.8	0	0	0	111.4	N177 P178 F182 F338 Q343 P344 K345	N177-Y180 HydrophobicContact CB-CD2 4.2Å; N177-Y180 PolarHBondContact O-N 2.96Å; N177-Y180 VanDerWaalsContact O-N 3.14Å; P178-Y180 PolarHBondContact O-N 2.93Å; Y180-F182 HydrophobicContact CD2-CZ 4.37Å; Y180-F182 HydrophobicContact CG-CZ 4.4Å; Y180-F338 HydrophobicContact CD2-CZ 4.04Å; Y180-F338 HydrophobicContact CE2-CE2 4.04Å; Y180-F338 AromaticContact CE2-CZ 3.87Å; Y180-F338 HydrophobicContact CE2-CZ 3.87Å; Y180-Q343 PolarHBondContact OH-NE2 2.88Å; Y180-P344 HydrophobicContact CD1-CB 4.15Å; Y180-P344 HydrophobicContact CD1-CG 3.58Å; Y180-P344 HydrophobicContact CD2-CG 3.82Å; Y180-P344 HydrophobicContact CE1-CG 3.98Å; Y180-P344 HydrophobicContact CE2-CG 4.2Å; Y180-P344 HydrophobicContact CG-CB 4.1Å; Y180-P344 HydrophobicContact CG-CG 3.5Å; Y180-K345 WeakPolarHBondContact CA-O 3.3Å
181	H	89.8	Confident	90.9	Very high	114 Å²	114	57.2 Å²	57.2	53%	0.528	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.5	168.5	176.5	67.3	0	0	0	109.2	K345	H181-K345 PolarHBondContact N-O 3.04Å
182	F	91.6	Very high	90.6	Very high	14 Å²	14	59 Å²	59	6%	0.061	30%	0.297	C	S	.	.			trans	-108.9	123.1	-179.4	-57.7	-70.2	0	0	0	109.9	F173 Q174 N177 Y180 Y186 L187 F338 P344	F173-F182 HydrophobicContact CD1-CD1 4.49Å; F173-F182 HydrophobicContact CD1-CD2 4.46Å; F173-F182 HydrophobicContact CD1-CE1 4.16Å; F173-F182 HydrophobicContact CD1-CE2 4.12Å; F173-F182 AromaticContact CD1-CZ 3.94Å; F173-F182 HydrophobicContact CD1-CZ 3.94Å; F173-F182 HydrophobicContact CE1-CD1 4.03Å; F173-F182 AromaticContact CE1-CE1 3.44Å; F173-F182 HydrophobicContact CE1-CE1 3.44Å; F173-F182 VanDerWaalsContact CE1-CE1 3.44Å; F173-F182 HydrophobicContact CE1-CE2 4.14Å; F173-F182 AromaticContact CE1-CZ 3.48Å; F173-F182 HydrophobicContact CE1-CZ 3.48Å; F173-F182 VanDerWaalsContact CE1-CZ 3.48Å; F173-F182 HydrophobicContact CZ-CE1 4.36Å; F173-F182 HydrophobicContact CZ-CZ 4.36Å; Q174-F182 HydrophobicContact CG-CD2 4Å; N177-F182 HydrophobicContact CB-CE2 3.74Å; N177-F182 HydrophobicContact CB-CZ 3.6Å; Y180-F182 HydrophobicContact CD2-CZ 4.37Å; Y180-F182 HydrophobicContact CG-CZ 4.4Å; F182-Y186 HydrophobicContact CB-CD1 4.47Å; F182-Y186 AromaticContact CD1-CD1 3.39Å; F182-Y186 HydrophobicContact CD1-CD1 3.39Å; F182-Y186 AromaticContact CD1-CE1 3.57Å; F182-Y186 HydrophobicContact CD1-CE1 3.57Å; F182-Y186 HydrophobicContact CD1-CG 4.12Å; F182-Y186 HydrophobicContact CE1-CD1 4.02Å; F182-Y186 AromaticContact CE1-CE1 3.69Å; F182-Y186 HydrophobicContact CE1-CE1 3.69Å; F182-Y186 HydrophobicContact CG-CD1 4.32Å; F182-L187 HydrophobicContact CB-CD2 3.99Å; F182-L187 HydrophobicContact CB-CG 4.23Å; F182-F338 HydrophobicContact CE1-CE1 4.3Å; F182-F338 HydrophobicContact CZ-CE1 4.5Å; F182-P344 HydrophobicContact CD1-CB 3.92Å; F182-P344 HydrophobicContact CE1-CB 3.5Å; F182-P344 HydrophobicContact CE1-CG 3.82Å; F182-P344 HydrophobicContact CZ-CB 4.44Å; F182-P344 HydrophobicContact CZ-CG 4.45Å
183	S	91.2	Very high	90.3	Very high	58 Å²	58	61.2 Å²	61.2	41%	0.406	31%	0.306	S	S	.	.			trans	-76.2	163.4	169	55.5	0	0	0	0	110.8	D185 Y186 L187	S183-D185 VanDerWaalsContact C-N 3.34Å; S183-D185 PolarHBondContact O-N 3.39Å; S183-Y186 WeakPolarHBondContact O-CA 3.49Å; S183-Y186 WeakPolarHBondContact O-CB 3.15Å; S183-Y186 PolarHBondContact O-N 3.31Å; S183-L187 PolarHBondContact O-N 3.06Å; S183-L187 VanDerWaalsContact O-N 3.11Å
184	E	90.5	Very high	90	Very high	166 Å²	166	62.9 Å²	62.9	78%	0.776	32%	0.316	S	S	*	.	H	α-helix	trans	-55.5	-47.4	175.4	-167.6	171.2	-173.2	0	0	111.7	Y186 L187 E188	E184-Y186 PolarHBondContact O-N 3Å; E184-Y186 VanDerWaalsContact O-N 3.1Å; E184-L187 WeakPolarHBondContact O-CB 3.21Å; E184-L187 PolarHBondContact O-N 3.37Å; E184-E188 PolarHBondContact O-N 3.2Å
185	D	90.9	Very high	89.6	Confident	124 Å²	124	66.6 Å²	66.6	66%	0.663	34%	0.338	S	S	*	.	H	α-helix	trans	-55.1	-32.6	174.1	-55.2	-15.2	0	0	0	113.5	S183 C189	S183-D185 VanDerWaalsContact C-N 3.34Å; S183-D185 PolarHBondContact O-N 3.39Å; D185-C189 PolarHBondContact O-N 3.43Å; D185-C189 VanDerWaalsContact O-N 3.14Å
186	Y	92.4	Very high	89.3	Confident	24 Å²	24	70.9 Å²	70.9	9%	0.094	36%	0.356	C	S	.	.	H	α-helix	trans	-74.6	-39.7	179.2	-163.3	-80.8	0	0	0	110.8	F173 F182 S183 E184 C189 V190 V337 F338 C341 G342 P344	F173-Y186 HydrophobicContact CE1-CE1 4.09Å; F182-Y186 HydrophobicContact CB-CD1 4.47Å; F182-Y186 AromaticContact CD1-CD1 3.39Å; F182-Y186 HydrophobicContact CD1-CD1 3.39Å; F182-Y186 AromaticContact CD1-CE1 3.57Å; F182-Y186 HydrophobicContact CD1-CE1 3.57Å; F182-Y186 HydrophobicContact CD1-CG 4.12Å; F182-Y186 HydrophobicContact CE1-CD1 4.02Å; F182-Y186 AromaticContact CE1-CE1 3.69Å; F182-Y186 HydrophobicContact CE1-CE1 3.69Å; F182-Y186 HydrophobicContact CG-CD1 4.32Å; S183-Y186 WeakPolarHBondContact O-CA 3.49Å; S183-Y186 WeakPolarHBondContact O-CB 3.15Å; S183-Y186 PolarHBondContact O-N 3.31Å; E184-Y186 PolarHBondContact O-N 3Å; E184-Y186 VanDerWaalsContact O-N 3.1Å; Y186-C189 WeakPolarHBondContact O-CB 3.34Å; Y186-C189 PolarHBondContact O-N 2.83Å; Y186-V190 HydrophobicContact CD1-CG2 3.9Å; Y186-V190 HydrophobicContact CE1-CG2 3.97Å; Y186-V190 WeakPolarHBondContact O-CG2 3.23Å; Y186-V190 PolarHBondContact O-N 3.49Å; Y186-V337 HydrophobicContact CE1-CG1 4.12Å; Y186-F338 VanDerWaalsContact OH-CD1 3.28Å; Y186-F338 WeakPolarHBondContact OH-CD1 3.27Å; Y186-C341 HydrophobicContact CD2-CB 4.35Å; Y186-C341 HydrophobicContact CE1-CB 4.26Å; Y186-C341 HydrophobicContact CE2-CB 3.78Å; Y186-G342 WeakPolarHBondContact CE2-O 3.45Å; Y186-G342 PolarHBondContact OH-O 3.06Å; Y186-P344 HydrophobicContact CE1-CB 4.45Å; Y186-P344 HydrophobicContact CE2-CB 4.17Å
187	L	92	Very high	89.2	Confident	15 Å²	15	71 Å²	71	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-66.8	-40	175.8	-64.9	175.2	0	0	0	111.6	E170 Q174 F182 S183 E184 C189 V190 S191	E170-L187 HydrophobicContact CB-CD1 4.41Å; E170-L187 HydrophobicContact CB-CD2 4.25Å; E170-L187 HydrophobicContact CG-CB 3.99Å; E170-L187 HydrophobicContact CG-CD2 4.38Å; Q174-L187 HydrophobicContact CG-CD2 4.23Å; F182-L187 HydrophobicContact CB-CD2 3.99Å; F182-L187 HydrophobicContact CB-CG 4.23Å; S183-L187 PolarHBondContact O-N 3.06Å; S183-L187 VanDerWaalsContact O-N 3.11Å; E184-L187 WeakPolarHBondContact O-CB 3.21Å; E184-L187 PolarHBondContact O-N 3.37Å; L187-C189 VanDerWaalsContact C-N 3.25Å; L187-C189 PolarHBondContact O-N 3.31Å; L187-V190 WeakPolarHBondContact O-CA 3.43Å; L187-V190 WeakPolarHBondContact O-CB 3.3Å; L187-V190 PolarHBondContact O-N 3.02Å; L187-S191 PolarHBondContact O-N 2.67Å; L187-S191 PolarHBondContact O-OG 2.94Å
188	E	89.5	Confident	89.2	Confident	104 Å²	104	76.3 Å²	76.3	49%	0.486	38%	0.38	S	S	.	.	H	α-helix	trans	-59.1	-40.1	171.6	-164.9	-151.7	127.7	0	0	111	E184 S191 K192	E184-E188 PolarHBondContact O-N 3.2Å; E188-S191 PolarHBondContact O-N 3.46Å; E188-K192 PolarHBondContact O-N 2.95Å; E188-K192 VanDerWaalsContact OE1-CE 3.31Å; E188-K192 WeakPolarHBondContact OE1-CE 3.42Å; E188-K192 IonicContact OE1-NZ 2.91Å; E188-K192 PolarHBondContact OE1-NZ 3.31Å
189	C	91.5	Very high	89.3	Confident	28 Å²	28	72.2 Å²	72.2	19%	0.189	35%	0.353	C	S	.	.	H	α-helix	trans	-63.7	-41.1	172.8	-176.5	0	0	0	0	112.5	D185 Y186 L187 S191 K192 Y193 C341	D185-C189 PolarHBondContact O-N 3.43Å; D185-C189 VanDerWaalsContact O-N 3.14Å; Y186-C189 WeakPolarHBondContact O-CB 3.34Å; Y186-C189 PolarHBondContact O-N 2.83Å; L187-C189 VanDerWaalsContact C-N 3.25Å; L187-C189 PolarHBondContact O-N 3.31Å; C189-S191 VanDerWaalsContact C-N 3.28Å; C189-S191 PolarHBondContact O-N 3.49Å; C189-K192 WeakPolarHBondContact O-CB 3Å; C189-K192 PolarHBondContact O-N 3.07Å; C189-K192 VanDerWaalsContact O-N 3.17Å; C189-Y193 WeakPolarHBondContact O-CD2 3.47Å; C189-C341 HydrophobicContact CB-CB 3.91Å; C189-C341 WeakPolarHBondContact CB-SG 3.43Å; C189-C341 WeakPolarHBondContact SG-CA 3.27Å; C189-C341 WeakPolarHBondContact SG-CB 3.41Å; C189-C341 CovalentContact SG-SG 2.04Å; C189-C341 PolarHBondContact SG-SG 2.73Å
190	V	90.8	Very high	89.6	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-57.6	-44.5	175.2	179.2	0	0	0	0	110.5	L169 F173 Y186 L187 K192 Y193 V337	L169-V190 HydrophobicContact CD2-CG1 4.2Å; L169-V190 HydrophobicContact CG-CG1 4.3Å; F173-V190 HydrophobicContact CD1-CG1 4.49Å; F173-V190 HydrophobicContact CD1-CG2 4.04Å; F173-V190 HydrophobicContact CD2-CG1 4.27Å; F173-V190 HydrophobicContact CE1-CG2 3.86Å; F173-V190 HydrophobicContact CG-CG1 4.22Å; F173-V190 HydrophobicContact CZ-CG2 4.28Å; Y186-V190 HydrophobicContact CD1-CG2 3.9Å; Y186-V190 HydrophobicContact CE1-CG2 3.97Å; Y186-V190 WeakPolarHBondContact O-CG2 3.23Å; Y186-V190 PolarHBondContact O-N 3.49Å; L187-V190 WeakPolarHBondContact O-CA 3.43Å; L187-V190 WeakPolarHBondContact O-CB 3.3Å; L187-V190 PolarHBondContact O-N 3.02Å; V190-K192 PolarHBondContact O-N 3.39Å; V190-Y193 PolarHBondContact O-N 2.96Å; V190-V337 HydrophobicContact CB-CG1 4.35Å; V190-V337 HydrophobicContact CG1-CG1 4.44Å; V190-V337 HydrophobicContact CG1-CG2 4.22Å; V190-V337 HydrophobicContact CG2-CG1 3.57Å
191	S	86.4	Confident	89.7	Confident	33 Å²	33	66 Å²	66	23%	0.231	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-29.8	179.8	-67	0	0	0	0	112.9	E170 L187 E188 C189 Y193 T194	E170-S191 PolarHBondContact OE1-OG 3.42Å; L187-S191 PolarHBondContact O-N 2.67Å; L187-S191 PolarHBondContact O-OG 2.94Å; E188-S191 PolarHBondContact O-N 3.46Å; C189-S191 VanDerWaalsContact C-N 3.28Å; C189-S191 PolarHBondContact O-N 3.49Å; S191-Y193 PolarHBondContact O-N 3.49Å; S191-T194 VanDerWaalsContact O-CB 3.31Å; S191-T194 WeakPolarHBondContact O-CB 3.4Å; S191-T194 PolarHBondContact O-N 3.05Å; S191-T194 PolarHBondContact O-OG1 2.68Å
192	K	86.5	Confident	89.9	Confident	143 Å²	143	63.4 Å²	63.4	62%	0.622	32%	0.323	S	S	*	.	H	α-helix	trans	-65.3	-22.1	175	-66.5	172.5	-174	163.4	0	114	E188 C189 V190	E188-K192 PolarHBondContact O-N 2.95Å; E188-K192 VanDerWaalsContact OE1-CE 3.31Å; E188-K192 WeakPolarHBondContact OE1-CE 3.42Å; E188-K192 IonicContact OE1-NZ 2.91Å; E188-K192 PolarHBondContact OE1-NZ 3.31Å; C189-K192 WeakPolarHBondContact O-CB 3Å; C189-K192 PolarHBondContact O-N 3.07Å; C189-K192 VanDerWaalsContact O-N 3.17Å; V190-K192 PolarHBondContact O-N 3.39Å
193	Y	86	Confident	90.1	Very high	63 Å²	63	63 Å²	63	25%	0.247	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.6	178.6	-72.1	-82.1	0	0	0	113.5	C189 V190 S191 D195 Q196 L197 G340	C189-Y193 WeakPolarHBondContact O-CD2 3.47Å; V190-Y193 PolarHBondContact O-N 2.96Å; S191-Y193 PolarHBondContact O-N 3.49Å; Y193-D195 PolarHBondContact O-N 3.3Å; Y193-Q196 PolarHBondContact O-N 3.02Å; Y193-L197 WeakPolarHBondContact O-CB 3.37Å; Y193-L197 VanDerWaalsContact O-CG 3.27Å; Y193-L197 WeakPolarHBondContact O-CG 2.73Å; Y193-L197 PolarHBondContact O-N 3.41Å; Y193-G340 WeakPolarHBondContact OH-CA 3.39Å
194	T	85.1	Confident	90.2	Very high	34 Å²	34	61.5 Å²	61.5	21%	0.209	31%	0.311	C	S	.	.	H	α-helix	trans	-55.3	-48.7	-174.7	-55.3	0	0	0	0	112.6	L169 S191 Q196 L197 K198 P199	L169-T194 HydrophobicContact CD2-CG2 4.21Å; L169-T194 WeakPolarHBondContact CD2-OG1 3.44Å; S191-T194 VanDerWaalsContact O-CB 3.31Å; S191-T194 WeakPolarHBondContact O-CB 3.4Å; S191-T194 PolarHBondContact O-N 3.05Å; S191-T194 PolarHBondContact O-OG1 2.68Å; T194-Q196 PolarHBondContact O-N 3.03Å; T194-L197 PolarHBondContact O-N 3.27Å; T194-K198 WeakPolarHBondContact O-CA 3.43Å; T194-K198 PolarHBondContact O-N 3.29Å; T194-P199 HydrophobicContact CG2-CG 4.36Å; T194-P199 WeakPolarHBondContact O-CD 2.98Å
195	D	83.4	Confident	90.4	Very high	142 Å²	142	60.4 Å²	60.4	76%	0.759	30%	0.299	S	S	*	.	H	α-helix	trans	-67.5	-35.7	-176.1	-71.1	-32.2	0	0	0	113.3	Y193 K198	Y193-D195 PolarHBondContact O-N 3.3Å; D195-K198 WeakPolarHBondContact O-CG 3.27Å
196	Q	85.1	Confident	90.5	Very high	142 Å²	142	59.1 Å²	59.1	66%	0.664	29%	0.288	S	S	*	.	H	α-helix	trans	-75.6	-39.6	-179.9	-170.1	-175.8	19.1	0	0	111.6	Y193 T194	Y193-Q196 PolarHBondContact O-N 3.02Å; T194-Q196 PolarHBondContact O-N 3.03Å
197	L	86.5	Confident	90.6	Very high	28 Å²	28	58.1 Å²	58.1	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-86.7	-30.1	-174.6	-62.3	-177.8	0	0	0	113	Y193 T194 V333 K336 V337	Y193-L197 WeakPolarHBondContact O-CB 3.37Å; Y193-L197 VanDerWaalsContact O-CG 3.27Å; Y193-L197 WeakPolarHBondContact O-CG 2.73Å; Y193-L197 PolarHBondContact O-N 3.41Å; T194-L197 PolarHBondContact O-N 3.27Å; L197-V333 HydrophobicContact CD1-CG1 4.09Å; L197-K336 HydrophobicContact CD1-CB 4.34Å; L197-K336 HydrophobicContact CD2-CB 3.85Å; L197-K336 HydrophobicContact CD2-CD 3.16Å; L197-K336 HydrophobicContact CD2-CG 4.15Å; L197-V337 HydrophobicContact CD1-CG2 3.92Å
198	K	92	Very high	90.7	Very high	120 Å²	120	59.7 Å²	59.7	52%	0.522	29%	0.29	S	S	.	.			trans	44.9	60.2	-172.3	-62.4	-179.7	-180	170.6	0	111	T194 D195 F200 G201	T194-K198 WeakPolarHBondContact O-CA 3.43Å; T194-K198 PolarHBondContact O-N 3.29Å; D195-K198 WeakPolarHBondContact O-CG 3.27Å; K198-F200 PolarHBondContact O-N 3.5Å; K198-F200 VanDerWaalsContact O-N 3.1Å; K198-G201 PolarHBondContact O-N 3.3Å
199	P	92.5	Very high	90.8	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.019	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-39.5	-173	16.3	-28.7	0	0	0	112.6	L169 T194 G201 N325 M326 N329 V333	L169-P199 HydrophobicContact CD1-CB 3.83Å; L169-P199 HydrophobicContact CD1-CG 3.65Å; L169-P199 HydrophobicContact CD2-CG 4.1Å; L169-P199 HydrophobicContact CG-CG 4.47Å; T194-P199 HydrophobicContact CG2-CG 4.36Å; T194-P199 WeakPolarHBondContact O-CD 2.98Å; P199-G201 VanDerWaalsContact C-N 3.33Å; P199-G201 PolarHBondContact O-N 3.5Å; P199-N325 CarbonylContact O-C 3.32Å; P199-M326 HydrophobicContact CB-CE 4.49Å; P199-M326 HydrophobicContact CB-CG 4.44Å; P199-M326 HydrophobicContact CB-SD 3.32Å; P199-M326 WeakPolarHBondContact CB-SD 3.34Å; P199-M326 WeakPolarHBondContact O-CA 3.45Å; P199-M326 PolarHBondContact O-N 2.81Å; P199-N329 PolarHBondContact O-ND2 3.24Å; P199-V333 HydrophobicContact CB-CG2 4.13Å
200	F	95.5	Very high	90.9	Very high	3 Å²	3	60.8 Å²	60.8	1%	0.013	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	7.4	-179.6	-59.4	-56.7	0	0	0	114.9	W165 L168 L169 M172 K198 P204 A322 N325 M326	W165-F200 AromaticContact CE3-CD2 3.74Å; W165-F200 HydrophobicContact CE3-CD2 3.74Å; W165-F200 AromaticContact CE3-CE2 3.94Å; W165-F200 HydrophobicContact CE3-CE2 3.94Å; W165-F200 HydrophobicContact CE3-CG 4.1Å; W165-F200 HydrophobicContact CE3-CZ 4.46Å; W165-F200 HydrophobicContact CZ3-CD1 4.49Å; W165-F200 HydrophobicContact CZ3-CD2 4.32Å; W165-F200 HydrophobicContact CZ3-CG 4.21Å; W165-F200 WeakPolarHBondContact O-CE2 3.44Å; L168-F200 HydrophobicContact CB-CZ 4.17Å; L168-F200 HydrophobicContact CD2-CE1 4.12Å; L168-F200 HydrophobicContact CD2-CZ 4.1Å; L168-F200 HydrophobicContact CG-CE1 4.2Å; L168-F200 HydrophobicContact CG-CZ 3.91Å; L169-F200 HydrophobicContact CB-CE2 3.88Å; L169-F200 HydrophobicContact CB-CZ 3.94Å; L169-F200 HydrophobicContact CD1-CE2 4.49Å; L169-F200 HydrophobicContact CD1-CZ 4.36Å; M172-F200 HydrophobicContact SD-CE1 3.64Å; M172-F200 HydrophobicContact SD-CZ 4.37Å; K198-F200 PolarHBondContact O-N 3.5Å; K198-F200 VanDerWaalsContact O-N 3.1Å; F200-P204 HydrophobicContact CB-CG 3.54Å; F200-P204 HydrophobicContact CD2-CG 4.05Å; F200-P204 HydrophobicContact CG-CG 4.19Å; F200-A322 HydrophobicContact CB-CB 4.01Å; F200-A322 HydrophobicContact CD1-CB 4.11Å; F200-A322 WeakPolarHBondContact CD1-O 3.21Å; F200-A322 HydrophobicContact CG-CB 4.33Å; F200-N325 PolarHBondContact O-ND2 2.97Å; F200-N325 VanDerWaalsContact O-ND2 3.11Å; F200-M326 HydrophobicContact CD1-CB 3.71Å; F200-M326 HydrophobicContact CD1-CG 4.44Å; F200-M326 HydrophobicContact CE1-CB 3.76Å; F200-M326 HydrophobicContact CE1-CG 4.06Å
201	G	94.1	Very high	91	Very high	26 Å²	26	60.8 Å²	60.8	27%	0.268	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-143.1	-171.8	0	0	0	0	0	112.3	K198 P199	K198-G201 PolarHBondContact O-N 3.3Å; P199-G201 VanDerWaalsContact C-N 3.33Å; P199-G201 PolarHBondContact O-N 3.5Å
202	D	93.8	Very high	91.4	Very high	59 Å²	59	59.9 Å²	59.9	32%	0.316	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	2.5	179.6	74.7	-6.1	0	0	0	114.2	R205 K206	D202-R205 PolarHBondContact O-N 3.11Å; D202-R205 IonicContact OD2-NH2 2.73Å; D202-K206 VanDerWaalsContact CG-CE 3.45Å; D202-K206 PolarHBondContact O-N 3.2Å; D202-K206 VanDerWaalsContact O-N 3.08Å; D202-K206 WeakPolarHBondContact OD1-CE 3.41Å; D202-K206 IonicContact OD1-NZ 3.35Å; D202-K206 PolarHBondContact OD1-NZ 3.33Å; D202-K206 WeakPolarHBondContact OD2-CE 3.37Å; D202-K206 IonicContact OD2-NZ 2.89Å; D202-K206 PolarHBondContact OD2-NZ 3.4Å
203	V	95.5	Very high	91.7	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-48.7	-178.5	-178.2	0	0	0	0	112.3	W165 R205 K206 L207 K318 E321 A322	W165-V203 HydrophobicContact CH2-CG1 4.2Å; V203-R205 VanDerWaalsContact C-N 3.33Å; V203-R205 PolarHBondContact O-N 3.07Å; V203-K206 PolarHBondContact O-N 3.01Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 PolarHBondContact O-N 2.99Å; V203-K318 HydrophobicContact CG1-CB 4.41Å; V203-K318 WeakPolarHBondContact CG1-O 3.43Å; V203-E321 HydrophobicContact CG2-CG 4.13Å; V203-A322 HydrophobicContact CB-CB 4.01Å; V203-A322 HydrophobicContact CG1-CB 3.95Å; V203-A322 HydrophobicContact CG2-CB 4.39Å
204	P	94.8	Very high	92.1	Very high	26 Å²	26	55.4 Å²	55.4	17%	0.169	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-45.2	179.7	-28.6	37.2	0	0	0	113.4	W165 F200 L207 K208	W165-P204 HydrophobicContact CD2-CB 3.82Å; W165-P204 HydrophobicContact CD2-CG 3.75Å; W165-P204 HydrophobicContact CE3-CG 3.95Å; W165-P204 HydrophobicContact CG-CB 3.91Å; W165-P204 HydrophobicContact CG-CG 4.19Å; W165-P204 HydrophobicContact CH2-CG 4.32Å; W165-P204 HydrophobicContact CZ2-CB 4.15Å; W165-P204 HydrophobicContact CZ2-CG 4.13Å; W165-P204 HydrophobicContact CZ3-CG 4.24Å; F200-P204 HydrophobicContact CB-CG 3.54Å; F200-P204 HydrophobicContact CD2-CG 4.05Å; F200-P204 HydrophobicContact CG-CG 4.19Å; P204-L207 PolarHBondContact O-N 3.45Å; P204-K208 VanDerWaalsContact O-CB 3.28Å; P204-K208 WeakPolarHBondContact O-CB 3.39Å; P204-K208 PolarHBondContact O-N 3.17Å
205	R	93.9	Very high	92.5	Very high	142 Å²	142	53.8 Å²	53.8	54%	0.536	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-46	179.3	-174.7	-171.5	67.6	-164.2	-3.5	111.6	D202 V203 I209	D202-R205 PolarHBondContact O-N 3.11Å; D202-R205 IonicContact OD2-NH2 2.73Å; V203-R205 VanDerWaalsContact C-N 3.33Å; V203-R205 PolarHBondContact O-N 3.07Å; R205-I209 HydrophobicContact CG-CD1 4.27Å; R205-I209 WeakPolarHBondContact O-CG1 3.48Å; R205-I209 PolarHBondContact O-N 3.32Å
206	K	93.7	Very high	93	Very high	97 Å²	97	47.1 Å²	47.1	42%	0.422	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-46.6	178.8	-77.1	173.3	174.3	158.1	0	111.2	D202 V203 I209 Q210	D202-K206 VanDerWaalsContact CG-CE 3.45Å; D202-K206 PolarHBondContact O-N 3.2Å; D202-K206 VanDerWaalsContact O-N 3.08Å; D202-K206 WeakPolarHBondContact OD1-CE 3.41Å; D202-K206 IonicContact OD1-NZ 3.35Å; D202-K206 PolarHBondContact OD1-NZ 3.33Å; D202-K206 WeakPolarHBondContact OD2-CE 3.37Å; D202-K206 IonicContact OD2-NZ 2.89Å; D202-K206 PolarHBondContact OD2-NZ 3.4Å; V203-K206 PolarHBondContact O-N 3.01Å; K206-I209 PolarHBondContact O-N 3.34Å; K206-Q210 WeakPolarHBondContact O-CB 3.17Å; K206-Q210 WeakPolarHBondContact O-CG 3.1Å; K206-Q210 PolarHBondContact O-N 2.74Å; K206-Q210 VanDerWaalsContact O-N 3.08Å
207	L	94.3	Very high	93.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-43.5	-179.8	-166.5	69.6	0	0	0	110.5	W165 V203 P204 I209 Q210 V211 I315 K318 I319	W165-L207 HydrophobicContact CH2-CD2 4.46Å; W165-L207 HydrophobicContact CZ2-CB 4.39Å; W165-L207 HydrophobicContact CZ2-CD2 3.7Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 PolarHBondContact O-N 2.99Å; P204-L207 PolarHBondContact O-N 3.45Å; L207-I209 PolarHBondContact O-N 3.41Å; L207-Q210 PolarHBondContact O-N 3.36Å; L207-V211 HydrophobicContact CD1-CG2 3.85Å; L207-V211 HydrophobicContact CG-CG2 3.8Å; L207-V211 VanDerWaalsContact O-CB 3.28Å; L207-V211 WeakPolarHBondContact O-CB 3.07Å; L207-V211 VanDerWaalsContact O-CG2 3.24Å; L207-V211 WeakPolarHBondContact O-CG2 3.35Å; L207-V211 PolarHBondContact O-N 3.16Å; L207-I315 HydrophobicContact CD1-CG1 4.35Å; L207-K318 HydrophobicContact CD1-CD 3.83Å; L207-I319 HydrophobicContact CD2-CG1 4.41Å
208	K	93.7	Very high	93.8	Very high	49 Å²	49	39 Å²	39	21%	0.213	18%	0.182	C	C	.	.	H	α-helix	trans	-53	-54.5	175.2	-170.5	174.9	75.4	149.2	0	112.3	E158 L161 P204 Q210 T212	E158-K208 HydrophobicContact CB-CD 4.29Å; E158-K208 HydrophobicContact CG-CD 4.31Å; E158-K208 IonicContact OE2-NZ 3.24Å; E158-K208 PolarHBondContact OE2-NZ 3.07Å; L161-K208 HydrophobicContact CD1-CB 4.33Å; L161-K208 HydrophobicContact CD1-CG 4.14Å; P204-K208 VanDerWaalsContact O-CB 3.28Å; P204-K208 WeakPolarHBondContact O-CB 3.39Å; P204-K208 PolarHBondContact O-N 3.17Å; K208-Q210 VanDerWaalsContact C-N 3.33Å; K208-Q210 PolarHBondContact O-N 3.09Å; K208-T212 VanDerWaalsContact O-CB 3.25Å; K208-T212 WeakPolarHBondContact O-CB 3.42Å; K208-T212 PolarHBondContact O-N 3.27Å; K208-T212 PolarHBondContact O-OG1 2.91Å
209	I	92.3	Very high	93.9	Very high	74 Å²	74	34 Å²	34	38%	0.379	16%	0.16	S	C	.	.	H	α-helix	trans	-60.9	-42.9	-179	-64.9	166.4	0	0	0	111.6	R205 K206 L207 R213	R205-I209 HydrophobicContact CG-CD1 4.27Å; R205-I209 WeakPolarHBondContact O-CG1 3.48Å; R205-I209 PolarHBondContact O-N 3.32Å; K206-I209 PolarHBondContact O-N 3.34Å; L207-I209 PolarHBondContact O-N 3.41Å; I209-R213 WeakPolarHBondContact O-CB 3.49Å; I209-R213 WeakPolarHBondContact O-CD 3.5Å; I209-R213 VanDerWaalsContact O-CG 3.3Å; I209-R213 WeakPolarHBondContact O-CG 3.22Å; I209-R213 PolarHBondContact O-N 2.9Å
210	Q	92.5	Very high	94.1	Very high	81 Å²	81	34.2 Å²	34.2	38%	0.379	16%	0.161	S	C	.	.	H	α-helix	trans	-70.2	-47.6	-177.3	-73.2	179.7	-6.5	0	0	112.2	K206 L207 K208 A214 V311	K206-Q210 WeakPolarHBondContact O-CB 3.17Å; K206-Q210 WeakPolarHBondContact O-CG 3.1Å; K206-Q210 PolarHBondContact O-N 2.74Å; K206-Q210 VanDerWaalsContact O-N 3.08Å; L207-Q210 PolarHBondContact O-N 3.36Å; K208-Q210 VanDerWaalsContact C-N 3.33Å; K208-Q210 PolarHBondContact O-N 3.09Å; Q210-A214 VanDerWaalsContact O-CB 3.23Å; Q210-A214 WeakPolarHBondContact O-CB 3.47Å; Q210-A214 PolarHBondContact O-N 3.27Å; Q210-V311 HydrophobicContact CB-CG1 3.92Å; Q210-V311 HydrophobicContact CB-CG2 3.94Å
211	V	94.2	Very high	94.1	Very high	1 Å²	1	34 Å²	34	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-51.8	-179.9	172.9	0	0	0	0	110	L146 L161 L207 R213 A214 F215 V311 M312	L146-V211 HydrophobicContact CD2-CG1 3.85Å; L161-V211 HydrophobicContact CD1-CB 4.04Å; L161-V211 HydrophobicContact CD1-CG1 3.97Å; L207-V211 HydrophobicContact CD1-CG2 3.85Å; L207-V211 HydrophobicContact CG-CG2 3.8Å; L207-V211 VanDerWaalsContact O-CB 3.28Å; L207-V211 WeakPolarHBondContact O-CB 3.07Å; L207-V211 VanDerWaalsContact O-CG2 3.24Å; L207-V211 WeakPolarHBondContact O-CG2 3.35Å; L207-V211 PolarHBondContact O-N 3.16Å; V211-R213 PolarHBondContact O-N 2.99Å; V211-A214 PolarHBondContact O-N 3.15Å; V211-F215 HydrophobicContact CG1-CD2 3.66Å; V211-F215 HydrophobicContact CG1-CE2 3.81Å; V211-F215 WeakPolarHBondContact O-CB 3.31Å; V211-F215 WeakPolarHBondContact O-CD2 3.48Å; V211-F215 PolarHBondContact O-N 2.96Å; V211-V311 HydrophobicContact CB-CG1 4.49Å; V211-V311 HydrophobicContact CG2-CG1 3.62Å; V211-M312 HydrophobicContact CG2-CE 3.83Å
212	T	93.2	Very high	94.2	Very high	14 Å²	14	33.4 Å²	33.4	9%	0.086	15%	0.151	C	C	.	.	H	α-helix	trans	-55.5	-50.6	-178.7	-61.3	0	0	0	0	111.5	K208 A214 F215 I216	K208-T212 VanDerWaalsContact O-CB 3.25Å; K208-T212 WeakPolarHBondContact O-CB 3.42Å; K208-T212 PolarHBondContact O-N 3.27Å; K208-T212 PolarHBondContact O-OG1 2.91Å; T212-A214 PolarHBondContact O-N 3.17Å; T212-F215 PolarHBondContact O-N 3.23Å; T212-I216 HydrophobicContact CG2-CD1 3.49Å; T212-I216 VanDerWaalsContact CG2-CD1 3.49Å; T212-I216 HydrophobicContact CG2-CG1 4.39Å; T212-I216 WeakPolarHBondContact O-CB 3.36Å; T212-I216 WeakPolarHBondContact O-CD1 3.47Å; T212-I216 WeakPolarHBondContact O-CG1 3.32Å; T212-I216 PolarHBondContact O-N 3.49Å
213	R	92.9	Very high	94.3	Very high	112 Å²	112	33 Å²	33	42%	0.423	15%	0.147	S	C	.	.	H	α-helix	trans	-66.1	-41.7	-179	-69.8	172.6	170.8	-179.1	-1.3	113.3	I209 V211 A217 F306	I209-R213 WeakPolarHBondContact O-CB 3.49Å; I209-R213 WeakPolarHBondContact O-CD 3.5Å; I209-R213 VanDerWaalsContact O-CG 3.3Å; I209-R213 WeakPolarHBondContact O-CG 3.22Å; I209-R213 PolarHBondContact O-N 2.9Å; V211-R213 PolarHBondContact O-N 2.99Å; R213-A217 VanDerWaalsContact O-CB 3.31Å; R213-A217 WeakPolarHBondContact O-CB 3.47Å; R213-A217 PolarHBondContact O-N 3.42Å; R213-A217 VanDerWaalsContact O-N 3.07Å; R213-F306 HydrophobicContact CB-CD1 3.73Å; R213-F306 HydrophobicContact CB-CD2 4.36Å; R213-F306 HydrophobicContact CB-CE1 3.81Å; R213-F306 HydrophobicContact CB-CE2 4.38Å; R213-F306 HydrophobicContact CB-CG 4.07Å; R213-F306 HydrophobicContact CB-CZ 4.12Å; R213-F306 HydrophobicContact CG-CE1 4.11Å; R213-F306 HydrophobicContact CG-CZ 4.22Å
214	A	94	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.2	-43.5	179.5	0	0	0	0	0	111.9	Q210 V211 T212 A218 I308 V311	Q210-A214 VanDerWaalsContact O-CB 3.23Å; Q210-A214 WeakPolarHBondContact O-CB 3.47Å; Q210-A214 PolarHBondContact O-N 3.27Å; V211-A214 PolarHBondContact O-N 3.15Å; T212-A214 PolarHBondContact O-N 3.17Å; A214-A218 WeakPolarHBondContact O-CB 3.48Å; A214-A218 PolarHBondContact O-N 3.47Å; A214-I308 HydrophobicContact CB-CB 4.32Å; A214-I308 HydrophobicContact CB-CD1 3.63Å; A214-V311 HydrophobicContact CB-CG2 4.12Å
215	F	94.9	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70	-41.9	178.4	-88	-99.5	0	0	0	112.8	F109 L113 L146 Y149 L157 V211 T212 A217 A218 R219 I308 M312	F109-F215 HydrophobicContact CE1-CD1 4.27Å; F109-F215 AromaticContact CE1-CE1 3.91Å; F109-F215 HydrophobicContact CE1-CE1 3.91Å; F109-F215 AromaticContact CZ-CD1 3.89Å; F109-F215 HydrophobicContact CZ-CD1 3.89Å; F109-F215 AromaticContact CZ-CE1 3.82Å; F109-F215 HydrophobicContact CZ-CE1 3.82Å; F109-F215 HydrophobicContact CZ-CG 4.42Å; F109-F215 HydrophobicContact CZ-CZ 4.27Å; L113-F215 HydrophobicContact CD1-CE1 4.27Å; L113-F215 HydrophobicContact CD1-CZ 4.48Å; L113-F215 HydrophobicContact CD2-CE1 4.17Å; L113-F215 HydrophobicContact CD2-CZ 3.58Å; L146-F215 HydrophobicContact CB-CE1 4.08Å; L146-F215 HydrophobicContact CB-CZ 3.92Å; L146-F215 HydrophobicContact CD1-CZ 4.32Å; L146-F215 HydrophobicContact CD2-CD2 4.46Å; L146-F215 HydrophobicContact CD2-CE1 4.09Å; L146-F215 HydrophobicContact CD2-CE2 3.86Å; L146-F215 HydrophobicContact CD2-CZ 3.64Å; L146-F215 HydrophobicContact CG-CZ 4.17Å; Y149-F215 HydrophobicContact CD1-CB 4.07Å; Y149-F215 AromaticContact CD1-CD1 3.93Å; Y149-F215 HydrophobicContact CD1-CD1 3.93Å; Y149-F215 HydrophobicContact CD1-CG 4.43Å; Y149-F215 HydrophobicContact CE1-CB 3.81Å; Y149-F215 HydrophobicContact CE1-CD1 4.47Å; L157-F215 HydrophobicContact CD1-CB 3.61Å; L157-F215 HydrophobicContact CD1-CG 4.36Å; V211-F215 HydrophobicContact CG1-CD2 3.66Å; V211-F215 HydrophobicContact CG1-CE2 3.81Å; V211-F215 WeakPolarHBondContact O-CB 3.31Å; V211-F215 WeakPolarHBondContact O-CD2 3.48Å; V211-F215 PolarHBondContact O-N 2.96Å; T212-F215 PolarHBondContact O-N 3.23Å; F215-A217 VanDerWaalsContact C-N 3.33Å; F215-A217 PolarHBondContact O-N 2.92Å; F215-A218 PolarHBondContact O-N 3.2Å; F215-R219 WeakPolarHBondContact O-CB 3.48Å; F215-R219 PolarHBondContact O-N 2.86Å; F215-I308 HydrophobicContact CD2-CD1 3.72Å; F215-I308 HydrophobicContact CE2-CD1 3.66Å; F215-I308 HydrophobicContact CZ-CD1 4.43Å; F215-M312 HydrophobicContact CE2-CE 3.75Å; F215-M312 HydrophobicContact CE2-SD 3.72Å; F215-M312 HydrophobicContact CZ-SD 3.97Å
216	I	93.6	Very high	94.7	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-48.1	174.6	-70.4	162.9	0	0	0	110	Y149 T212 T220 A477 D482	Y149-I216 VanDerWaalsContact OH-CG1 3.3Å; Y149-I216 WeakPolarHBondContact OH-CG1 3.47Å; T212-I216 HydrophobicContact CG2-CD1 3.49Å; T212-I216 VanDerWaalsContact CG2-CD1 3.49Å; T212-I216 HydrophobicContact CG2-CG1 4.39Å; T212-I216 WeakPolarHBondContact O-CB 3.36Å; T212-I216 WeakPolarHBondContact O-CD1 3.47Å; T212-I216 WeakPolarHBondContact O-CG1 3.32Å; T212-I216 PolarHBondContact O-N 3.49Å; I216-T220 WeakPolarHBondContact O-CB 3.42Å; I216-T220 PolarHBondContact O-N 2.85Å; I216-T220 PolarHBondContact O-OG1 2.96Å; I216-A477 HydrophobicContact CG2-CB 3.83Å; I216-D482 HydrophobicContact CD1-CB 3.7Å; I216-D482 HydrophobicContact CG1-CB 3.91Å
217	A	94.5	Very high	94.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-48.7	179.6	0	0	0	0	0	111.6	R213 F215 F221 V298 L302 F306	R213-A217 VanDerWaalsContact O-CB 3.31Å; R213-A217 WeakPolarHBondContact O-CB 3.47Å; R213-A217 PolarHBondContact O-N 3.42Å; R213-A217 VanDerWaalsContact O-N 3.07Å; F215-A217 VanDerWaalsContact C-N 3.33Å; F215-A217 PolarHBondContact O-N 2.92Å; A217-F221 VanDerWaalsContact O-CB 3.22Å; A217-F221 WeakPolarHBondContact O-CB 3.49Å; A217-F221 PolarHBondContact O-N 3.35Å; A217-V298 HydrophobicContact CB-CG1 4.24Å; A217-V298 WeakPolarHBondContact O-CG1 3.21Å; A217-L302 HydrophobicContact CB-CD2 3.69Å; A217-L302 HydrophobicContact CB-CG 4.31Å; A217-F306 HydrophobicContact CB-CB 4.15Å; A217-F306 HydrophobicContact CB-CD2 3.97Å
218	A	94.4	Very high	95.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-45.7	-178.3	0	0	0	0	0	112.6	F105 F109 A214 F215 T220 F221 V222 L302	F105-A218 HydrophobicContact CE1-CB 4.37Å; F105-A218 HydrophobicContact CZ-CB 4.39Å; F109-A218 HydrophobicContact CD2-CB 3.78Å; F109-A218 HydrophobicContact CE2-CB 3.21Å; F109-A218 HydrophobicContact CZ-CB 4Å; A214-A218 WeakPolarHBondContact O-CB 3.48Å; A214-A218 PolarHBondContact O-N 3.47Å; F215-A218 PolarHBondContact O-N 3.2Å; A218-T220 PolarHBondContact O-N 2.91Å; A218-F221 PolarHBondContact O-N 3.29Å; A218-V222 WeakPolarHBondContact O-CG2 3.4Å; A218-V222 PolarHBondContact O-N 3.22Å; A218-L302 HydrophobicContact CB-CD2 4.19Å
219	R	94.1	Very high	95.3	Very high	15 Å²	15	23.7 Å²	23.7	6%	0.057	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-49	176.2	179.3	178.5	175.5	170.4	-0.6	110.7	Y149 G152 F215 F221 V222 Q223	Y149-R219 VanDerWaalsContact CD2-NH1 3.33Å; Y149-R219 HydrophobicContact CE1-CB 4.31Å; Y149-R219 WeakPolarHBondContact O-CD 3.47Å; Y149-R219 VanDerWaalsContact O-CZ 3.28Å; Y149-R219 PolarHBondContact O-NE 3.45Å; Y149-R219 PolarHBondContact O-NH1 2.97Å; G152-R219 VanDerWaalsContact CA-NH2 3.35Å; G152-R219 PolarHBondContact O-NH2 2.98Å; F215-R219 WeakPolarHBondContact O-CB 3.48Å; F215-R219 PolarHBondContact O-N 2.86Å; R219-F221 VanDerWaalsContact C-N 3.32Å; R219-F221 PolarHBondContact O-N 3.16Å; R219-V222 PolarHBondContact O-N 2.9Å; R219-Q223 WeakPolarHBondContact O-CB 3.36Å; R219-Q223 VanDerWaalsContact O-CG 3.3Å; R219-Q223 WeakPolarHBondContact O-CG 3.48Å; R219-Q223 PolarHBondContact O-N 3.25Å
220	T	95.2	Very high	95.5	Very high	6 Å²	6	23.6 Å²	23.6	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-66.6	-36.2	-178.8	-51.4	0	0	0	0	111.4	I216 A218 Q223 G224 M470 K473 L474 A477	I216-T220 WeakPolarHBondContact O-CB 3.42Å; I216-T220 PolarHBondContact O-N 2.85Å; I216-T220 PolarHBondContact O-OG1 2.96Å; A218-T220 PolarHBondContact O-N 2.91Å; T220-Q223 PolarHBondContact O-N 3Å; T220-G224 PolarHBondContact O-N 3.45Å; T220-M470 HydrophobicContact CG2-CE 3.44Å; T220-M470 VanDerWaalsContact CG2-CE 3.44Å; T220-M470 WeakPolarHBondContact O-CE 3.37Å; T220-K473 HydrophobicContact CG2-CB 4.07Å; T220-L474 HydrophobicContact CG2-CD2 3.86Å; T220-L474 HydrophobicContact CG2-CG 4.13Å; T220-A477 HydrophobicContact CG2-CB 3.7Å; T220-A477 WeakPolarHBondContact OG1-CB 3.48Å
221	F	96.6	Very high	95.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-44	175.3	-171.5	-109.1	0	0	0	112.1	F105 A217 A218 R219 G224 L225 M295 V298 A299 L302 I388	F105-F221 AromaticContact CD2-CD1 3.89Å; F105-F221 HydrophobicContact CD2-CD1 3.89Å; F105-F221 AromaticContact CD2-CE1 3.76Å; F105-F221 HydrophobicContact CD2-CE1 3.76Å; F105-F221 HydrophobicContact CE1-CD1 4.27Å; F105-F221 AromaticContact CE2-CD1 3.62Å; F105-F221 HydrophobicContact CE2-CD1 3.62Å; F105-F221 AromaticContact CE2-CE1 3.76Å; F105-F221 HydrophobicContact CE2-CE1 3.76Å; F105-F221 HydrophobicContact CG-CD1 4.32Å; F105-F221 HydrophobicContact CG-CE1 4.42Å; F105-F221 AromaticContact CZ-CD1 3.82Å; F105-F221 HydrophobicContact CZ-CD1 3.82Å; F105-F221 HydrophobicContact CZ-CE1 4.42Å; A217-F221 VanDerWaalsContact O-CB 3.22Å; A217-F221 WeakPolarHBondContact O-CB 3.49Å; A217-F221 PolarHBondContact O-N 3.35Å; A218-F221 PolarHBondContact O-N 3.29Å; R219-F221 VanDerWaalsContact C-N 3.32Å; R219-F221 PolarHBondContact O-N 3.16Å; F221-G224 WeakPolarHBondContact O-CA 3.48Å; F221-G224 PolarHBondContact O-N 3.28Å; F221-L225 HydrophobicContact CD1-CD1 4.12Å; F221-L225 HydrophobicContact CE1-CD1 3.89Å; F221-L225 HydrophobicContact CE1-CG 4.46Å; F221-L225 PolarHBondContact O-N 3.47Å; F221-M295 HydrophobicContact CD2-CE 3.56Å; F221-M295 HydrophobicContact CD2-SD 4.07Å; F221-M295 HydrophobicContact CE2-CE 3.46Å; F221-M295 VanDerWaalsContact CE2-CE 3.46Å; F221-M295 HydrophobicContact CE2-SD 4.35Å; F221-M295 HydrophobicContact CG-CE 4.23Å; F221-M295 HydrophobicContact CZ-CE 4.07Å; F221-M295 WeakPolarHBondContact O-CE 3.33Å; F221-V298 HydrophobicContact CB-CG1 4.02Å; F221-V298 HydrophobicContact CD2-CB 4.37Å; F221-V298 HydrophobicContact CD2-CG1 4.19Å; F221-A299 HydrophobicContact CE2-CB 3.81Å; F221-A299 HydrophobicContact CZ-CB 4.18Å; F221-L302 HydrophobicContact CB-CD1 3.87Å; F221-L302 HydrophobicContact CD1-CD1 3.91Å; F221-L302 HydrophobicContact CD2-CD1 4.3Å; F221-L302 HydrophobicContact CG-CD1 3.78Å; F221-I388 HydrophobicContact CE1-CD1 4.05Å; F221-I388 HydrophobicContact CE1-CG2 4.24Å; F221-I388 HydrophobicContact CZ-CB 4.46Å; F221-I388 HydrophobicContact CZ-CD1 4.5Å; F221-I388 HydrophobicContact CZ-CG2 3.69Å
222	V	95.9	Very high	95.9	Very high	13 Å²	13	19.8 Å²	19.8	8%	0.079	9%	0.09	C	C	.	.	H	α-helix	trans	-66.9	-41.5	176.8	173.7	0	0	0	0	112	F105 Y150 A218 R219 G224 L225 T226	F105-V222 HydrophobicContact CD1-CG2 3.12Å; F105-V222 HydrophobicContact CE1-CG2 3.37Å; F105-V222 HydrophobicContact CG-CG2 4.16Å; Y150-V222 HydrophobicContact CE2-CG2 4.2Å; Y150-V222 WeakPolarHBondContact OH-CG2 3.33Å; A218-V222 WeakPolarHBondContact O-CG2 3.4Å; A218-V222 PolarHBondContact O-N 3.22Å; R219-V222 PolarHBondContact O-N 2.9Å; V222-G224 VanDerWaalsContact C-N 3.27Å; V222-G224 PolarHBondContact O-N 2.96Å; V222-L225 PolarHBondContact O-N 2.88Å; V222-T226 PolarHBondContact O-N 3.39Å; V222-T226 PolarHBondContact O-OG1 3.41Å
223	Q	96	Very high	96	Very high	50 Å²	50	21.5 Å²	21.5	23%	0.234	10%	0.099	C	C	.	.	H	α-helix	trans	-59.2	-41.1	171.5	-72.8	177.1	-17.4	0	0	111	R219 T220 T226 V227 M470	R219-Q223 WeakPolarHBondContact O-CB 3.36Å; R219-Q223 VanDerWaalsContact O-CG 3.3Å; R219-Q223 WeakPolarHBondContact O-CG 3.48Å; R219-Q223 PolarHBondContact O-N 3.25Å; T220-Q223 PolarHBondContact O-N 3Å; Q223-T226 VanDerWaalsContact O-CB 3.32Å; Q223-T226 WeakPolarHBondContact O-CB 3.47Å; Q223-T226 PolarHBondContact O-N 3.47Å; Q223-T226 VanDerWaalsContact O-N 3.17Å; Q223-V227 WeakPolarHBondContact O-CG2 3.24Å; Q223-V227 PolarHBondContact O-N 3.34Å; Q223-M470 HydrophobicContact CB-CE 3.94Å; Q223-M470 HydrophobicContact CB-SD 4.02Å
224	G	97.7	Very high	96.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.6	-50.3	172.9	0	0	0	0	0	112.3	T220 F221 V222 T226 V227 G228 F291	T220-G224 PolarHBondContact O-N 3.45Å; F221-G224 WeakPolarHBondContact O-CA 3.48Å; F221-G224 PolarHBondContact O-N 3.28Å; V222-G224 VanDerWaalsContact C-N 3.27Å; V222-G224 PolarHBondContact O-N 2.96Å; G224-T226 PolarHBondContact O-N 3.21Å; G224-V227 PolarHBondContact O-N 2.89Å; G224-G228 PolarHBondContact O-N 3.47Å; G224-F291 WeakPolarHBondContact O-CZ 3.17Å
225	L	98	Very high	96.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-57.9	-36.4	174.7	-68	172.2	0	0	0	112.3	F98 H102 F105 F221 V222 R229 M295 I388	F98-L225 HydrophobicContact CD1-CD2 4.15Å; F98-L225 HydrophobicContact CE1-CD2 4.23Å; H102-L225 HydrophobicContact CB-CB 4.01Å; F105-L225 HydrophobicContact CB-CD1 4.2Å; F221-L225 HydrophobicContact CD1-CD1 4.12Å; F221-L225 HydrophobicContact CE1-CD1 3.89Å; F221-L225 HydrophobicContact CE1-CG 4.46Å; F221-L225 PolarHBondContact O-N 3.47Å; V222-L225 PolarHBondContact O-N 2.88Å; L225-R229 VanDerWaalsContact O-CB 3.28Å; L225-R229 WeakPolarHBondContact O-CB 3.24Å; L225-R229 PolarHBondContact O-N 3.04Å; L225-M295 HydrophobicContact CD2-CE 3.68Å; L225-M295 HydrophobicContact CG-CE 3.68Å; L225-I388 HydrophobicContact CD2-CG2 4.27Å
226	T	97.3	Very high	96.1	Very high	30 Å²	30	22.1 Å²	22.1	18%	0.184	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-50.6	176.1	-57.3	0	0	0	0	111.7	H102 V222 Q223 G224 G228 R229 E230	H102-T226 PolarHBondContact CD2-OG1 3.47Å; H102-T226 PolarHBondContact NE2-OG1 2.97Å; H102-T226 VanDerWaalsContact NE2-OG1 3.09Å; V222-T226 PolarHBondContact O-N 3.39Å; V222-T226 PolarHBondContact O-OG1 3.41Å; Q223-T226 VanDerWaalsContact O-CB 3.32Å; Q223-T226 WeakPolarHBondContact O-CB 3.47Å; Q223-T226 PolarHBondContact O-N 3.47Å; Q223-T226 VanDerWaalsContact O-N 3.17Å; G224-T226 PolarHBondContact O-N 3.21Å; T226-G228 PolarHBondContact O-N 3.01Å; T226-R229 WeakPolarHBondContact O-CB 3.4Å; T226-R229 PolarHBondContact O-N 3.45Å; T226-E230 WeakPolarHBondContact O-CG 3.21Å; T226-E230 PolarHBondContact O-N 3.2Å
227	V	97.8	Very high	96.1	Very high	28 Å²	28	29 Å²	29	17%	0.17	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-44.3	177.5	172.7	0	0	0	0	110.5	Q223 G224 R229 E230 V231 A466 L467 M470	Q223-V227 WeakPolarHBondContact O-CG2 3.24Å; Q223-V227 PolarHBondContact O-N 3.34Å; G224-V227 PolarHBondContact O-N 2.89Å; V227-R229 VanDerWaalsContact C-N 3.33Å; V227-R229 PolarHBondContact O-N 3.47Å; V227-E230 PolarHBondContact O-N 3.33Å; V227-V231 HydrophobicContact CG1-CG2 4.14Å; V227-V231 WeakPolarHBondContact O-CB 3.28Å; V227-V231 VanDerWaalsContact O-CG2 3.3Å; V227-V231 WeakPolarHBondContact O-CG2 3.42Å; V227-V231 PolarHBondContact O-N 2.89Å; V227-A466 HydrophobicContact CG1-CB 4.43Å; V227-L467 HydrophobicContact CG1-CD2 4.49Å; V227-M470 HydrophobicContact CB-CB 4.36Å; V227-M470 HydrophobicContact CB-CG 4.07Å; V227-M470 HydrophobicContact CG1-CB 4.13Å; V227-M470 HydrophobicContact CG1-CG 4.34Å; V227-M470 HydrophobicContact CG2-CB 4.24Å; V227-M470 HydrophobicContact CG2-CG 3.99Å; V227-M470 HydrophobicContact CG2-SD 3.97Å
228	G	98	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-41.7	176.4	0	0	0	0	0	112.7	G224 T226 A232	G224-G228 PolarHBondContact O-N 3.47Å; T226-G228 PolarHBondContact O-N 3.01Å; G228-A232 VanDerWaalsContact O-CB 3.23Å; G228-A232 WeakPolarHBondContact O-CB 3.5Å; G228-A232 PolarHBondContact O-N 3.22Å
229	R	97.5	Very high	96	Very high	70 Å²	70	33.7 Å²	33.7	26%	0.264	17%	0.165	S	C	.	.	H	α-helix	trans	-59.6	-49.5	172.7	178	-170.5	71.1	176.7	2.3	111.8	F98 V99 L225 T226 V227 N233	F98-R229 HydrophobicContact CB-CB 3.91Å; V99-R229 HydrophobicContact CG2-CG 3.71Å; L225-R229 VanDerWaalsContact O-CB 3.28Å; L225-R229 WeakPolarHBondContact O-CB 3.24Å; L225-R229 PolarHBondContact O-N 3.04Å; T226-R229 WeakPolarHBondContact O-CB 3.4Å; T226-R229 PolarHBondContact O-N 3.45Å; V227-R229 VanDerWaalsContact C-N 3.33Å; V227-R229 PolarHBondContact O-N 3.47Å; R229-N233 WeakPolarHBondContact O-CB 3.3Å; R229-N233 VanDerWaalsContact O-CG 3.32Å; R229-N233 PolarHBondContact O-N 3.05Å; R229-N233 PolarHBondContact O-ND2 3.34Å
230	E	97.1	Very high	96	Very high	72 Å²	72	33.7 Å²	33.7	34%	0.336	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-48	-177.8	-73.9	177.2	-167.6	0	0	111.7	T226 V227 A232 N233 R234	T226-E230 WeakPolarHBondContact O-CG 3.21Å; T226-E230 PolarHBondContact O-N 3.2Å; V227-E230 PolarHBondContact O-N 3.33Å; E230-A232 PolarHBondContact O-N 2.98Å; E230-N233 PolarHBondContact O-N 3.39Å; E230-R234 VanDerWaalsContact O-CB 3.23Å; E230-R234 WeakPolarHBondContact O-CB 3.43Å; E230-R234 VanDerWaalsContact O-CG 3.22Å; E230-R234 WeakPolarHBondContact O-CG 3.39Å; E230-R234 PolarHBondContact O-N 2.95Å
231	V	97.6	Very high	96	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-48.9	176.8	171.9	0	0	0	0	110.3	V227 N233 R234 V235 L284 W288 Q463 L467	V227-V231 HydrophobicContact CG1-CG2 4.14Å; V227-V231 WeakPolarHBondContact O-CB 3.28Å; V227-V231 VanDerWaalsContact O-CG2 3.3Å; V227-V231 WeakPolarHBondContact O-CG2 3.42Å; V227-V231 PolarHBondContact O-N 2.89Å; V231-N233 VanDerWaalsContact C-N 3.33Å; V231-N233 PolarHBondContact O-N 3.39Å; V231-R234 PolarHBondContact O-N 3.5Å; V231-V235 HydrophobicContact CG1-CG2 3.83Å; V231-V235 VanDerWaalsContact O-CB 3.32Å; V231-V235 WeakPolarHBondContact O-CB 3.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.46Å; V231-V235 PolarHBondContact O-N 3.32Å; V231-L284 HydrophobicContact CG1-CD2 3.85Å; V231-W288 HydrophobicContact CB-CZ3 4.31Å; V231-W288 HydrophobicContact CG1-CE3 4.17Å; V231-W288 HydrophobicContact CG1-CZ3 4.02Å; V231-Q463 HydrophobicContact CG1-CB 4.28Å; V231-Q463 HydrophobicContact CG2-CB 4.23Å; V231-L467 HydrophobicContact CG1-CD1 4.21Å; V231-L467 HydrophobicContact CG1-CD2 4.42Å; V231-L467 HydrophobicContact CG1-CG 4.41Å; V231-L467 HydrophobicContact CG2-CD2 4.12Å; V231-L467 HydrophobicContact CG2-CG 4.16Å
232	A	96.8	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-41.4	179.2	0	0	0	0	0	112.8	V94 R95 G228 E230 S236 W288	V94-A232 HydrophobicContact CG1-CB 4.39Å; V94-A232 HydrophobicContact CG2-CB 4.22Å; R95-A232 HydrophobicContact CG-CB 4.15Å; G228-A232 VanDerWaalsContact O-CB 3.23Å; G228-A232 WeakPolarHBondContact O-CB 3.5Å; G228-A232 PolarHBondContact O-N 3.22Å; E230-A232 PolarHBondContact O-N 2.98Å; A232-S236 WeakPolarHBondContact O-CB 3.23Å; A232-S236 PolarHBondContact O-N 3.14Å; A232-S236 PolarHBondContact O-OG 2.85Å; A232-W288 HydrophobicContact CB-CH2 4.46Å
233	N	95.6	Very high	95.9	Very high	50 Å²	50	40.9 Å²	40.9	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-73.2	-30.8	179	-76	-29	0	0	0	113.6	R95 R229 E230 V231 S236 K237	R95-N233 WeakPolarHBondContact CD-OD1 3.49Å; R95-N233 WeakPolarHBondContact CG-OD1 3.27Å; R229-N233 WeakPolarHBondContact O-CB 3.3Å; R229-N233 VanDerWaalsContact O-CG 3.32Å; R229-N233 PolarHBondContact O-N 3.05Å; R229-N233 PolarHBondContact O-ND2 3.34Å; E230-N233 PolarHBondContact O-N 3.39Å; V231-N233 VanDerWaalsContact C-N 3.33Å; V231-N233 PolarHBondContact O-N 3.39Å; N233-S236 PolarHBondContact O-OG 3.47Å; N233-K237 WeakPolarHBondContact O-CG 3.31Å
234	R	95.4	Very high	96	Very high	115 Å²	115	38.5 Å²	38.5	43%	0.434	20%	0.203	S	C	.	.	H	α-helix	trans	-81.1	-47.2	-178.8	-78.2	-179.3	-177	-174.7	3.5	111.8	E230 V231 S236 K237 F459	E230-R234 VanDerWaalsContact O-CB 3.23Å; E230-R234 WeakPolarHBondContact O-CB 3.43Å; E230-R234 VanDerWaalsContact O-CG 3.22Å; E230-R234 WeakPolarHBondContact O-CG 3.39Å; E230-R234 PolarHBondContact O-N 2.95Å; V231-R234 PolarHBondContact O-N 3.5Å; R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 3.35Å; R234-K237 PolarHBondContact O-N 3.43Å; R234-F459 HydrophobicContact CB-CE1 3.74Å; R234-F459 HydrophobicContact CB-CZ 3.53Å; R234-F459 HydrophobicContact CG-CE1 4.47Å; R234-F459 HydrophobicContact CG-CZ 3.75Å
235	V	95.8	Very high	96	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-34.9	-176.1	176.2	0	0	0	0	112	V231 K237 Q281 L284 W399 I460 Q463	V231-V235 HydrophobicContact CG1-CG2 3.83Å; V231-V235 VanDerWaalsContact O-CB 3.32Å; V231-V235 WeakPolarHBondContact O-CB 3.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.46Å; V231-V235 PolarHBondContact O-N 3.32Å; V235-K237 PolarHBondContact O-N 3.29Å; V235-Q281 HydrophobicContact CG1-CB 4.17Å; V235-Q281 HydrophobicContact CG1-CG 3.64Å; V235-L284 HydrophobicContact CG1-CD1 4.01Å; V235-L284 HydrophobicContact CG2-CD1 4.2Å; V235-L284 HydrophobicContact CG2-CD2 3.59Å; V235-W399 HydrophobicContact CB-CH2 3.64Å; V235-W399 HydrophobicContact CB-CZ2 4.05Å; V235-W399 HydrophobicContact CB-CZ3 3.96Å; V235-W399 HydrophobicContact CG1-CD2 4.16Å; V235-W399 HydrophobicContact CG1-CE3 3.7Å; V235-W399 HydrophobicContact CG1-CH2 3.62Å; V235-W399 HydrophobicContact CG1-CZ2 4.05Å; V235-W399 HydrophobicContact CG1-CZ3 3.42Å; V235-W399 VanDerWaalsContact CG1-CZ3 3.42Å; V235-I460 HydrophobicContact CG1-CD1 4.06Å; V235-I460 HydrophobicContact CG2-CD1 4.21Å; V235-Q463 HydrophobicContact CG2-CB 4.26Å; V235-Q463 HydrophobicContact CG2-CG 3.99Å
236	S	93.9	Very high	95.9	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.07	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12.6	176.1	51.4	0	0	0	0	114.6	S91 R95 A232 N233 R234	S91-S236 VanDerWaalsContact OG-CB 3.27Å; S91-S236 WeakPolarHBondContact OG-CB 3.28Å; R95-S236 WeakPolarHBondContact CD-OG 3.41Å; A232-S236 WeakPolarHBondContact O-CB 3.23Å; A232-S236 PolarHBondContact O-N 3.14Å; A232-S236 PolarHBondContact O-OG 2.85Å; N233-S236 PolarHBondContact O-OG 3.47Å; R234-S236 VanDerWaalsContact C-N 3.33Å; R234-S236 PolarHBondContact O-N 3.35Å
237	K	92.6	Very high	96	Very high	148 Å²	148	44 Å²	44	64%	0.643	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	9	-176.9	-66.5	-174.7	177.7	-172	0	113.7	N233 R234 V235 S239	N233-K237 WeakPolarHBondContact O-CG 3.31Å; R234-K237 PolarHBondContact O-N 3.43Å; V235-K237 PolarHBondContact O-N 3.29Å; K237-S239 PolarHBondContact O-N 2.89Å
238	V	93.6	Very high	96	Very high	24 Å²	24	42.8 Å²	42.8	15%	0.145	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-68.3	121.3	176	175.7	0	0	0	0	108.9	F459 I460	V238-F459 HydrophobicContact CG2-CD1 3.88Å; V238-F459 HydrophobicContact CG2-CE1 4.03Å; V238-I460 HydrophobicContact CG2-CD1 3.76Å; V238-I460 HydrophobicContact CG2-CG1 4.31Å
239	S	93.1	Very high	95.9	Very high	74 Å²	74	42.8 Å²	42.8	52%	0.517	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-64.3	144.2	179.5	-63	0	0	0	0	111.9	K237	K237-S239 PolarHBondContact O-N 2.89Å
240	P	94.9	Very high	96	Very high	14 Å²	14	41.5 Å²	41.5	9%	0.091	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-66.3	146.4	177	26.4	-33.3	0	0	0	111.7	K80 F83 E84 C244 I245	K80-P240 HydrophobicContact CD-CG 4.43Å; K80-P240 HydrophobicContact CG-CG 3.79Å; F83-P240 HydrophobicContact CD1-CB 3.99Å; F83-P240 HydrophobicContact CD1-CG 4Å; F83-P240 HydrophobicContact CE1-CB 3.85Å; F83-P240 HydrophobicContact CE1-CG 4.25Å; E84-P240 WeakPolarHBondContact OE1-CD 3.37Å; P240-C244 HydrophobicContact CB-CB 4.05Å; P240-C244 VanDerWaalsContact CB-SG 3.56Å; P240-I245 HydrophobicContact CB-CG1 4.15Å; P240-I245 HydrophobicContact CG-CD1 4.33Å; P240-I245 HydrophobicContact CG-CG1 3.93Å
241	T	94.9	Very high	96	Very high	60 Å²	60	38.1 Å²	38.1	37%	0.368	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-69.7	160.3	176.1	66.8	0	0	0	0	111.5	G243 C244 I245	T241-G243 PolarHBondContact O-N 3.5Å; T241-C244 WeakPolarHBondContact O-CA 3.41Å; T241-C244 WeakPolarHBondContact O-CB 3.45Å; T241-C244 PolarHBondContact O-N 2.78Å; T241-C244 PolarHBondContact OG1-N 2.98Å; T241-I245 WeakPolarHBondContact O-CG1 3.22Å; T241-I245 PolarHBondContact O-N 3.37Å
242	P	94.8	Very high	95.9	Very high	102 Å²	102	39.2 Å²	39.2	66%	0.662	20%	0.202	S	C	*	.	H	α-helix	trans	-57.9	-33.6	175.3	-26.5	35.4	0	0	0	114.1	R246	P242-R246 WeakPolarHBondContact O-CG 3.23Å; P242-R246 PolarHBondContact O-N 2.99Å
243	G	95.7	Very high	95.9	Very high	9 Å²	9	39.4 Å²	39.4	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-44.7	172.9	0	0	0	0	0	111.9	T241 R246 A247	T241-G243 PolarHBondContact O-N 3.5Å; G243-R246 PolarHBondContact O-N 2.87Å; G243-A247 PolarHBondContact O-N 3.46Å; G243-A247 VanDerWaalsContact O-N 3.1Å
244	C	97.3	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-45.6	174.7	173.6	0	0	0	0	112.3	P240 T241 R246 A247 L248 C277	P240-C244 HydrophobicContact CB-CB 4.05Å; P240-C244 VanDerWaalsContact CB-SG 3.56Å; T241-C244 WeakPolarHBondContact O-CA 3.41Å; T241-C244 WeakPolarHBondContact O-CB 3.45Å; T241-C244 PolarHBondContact O-N 2.78Å; T241-C244 PolarHBondContact OG1-N 2.98Å; C244-R246 VanDerWaalsContact C-N 3.32Å; C244-R246 PolarHBondContact O-N 3.22Å; C244-A247 PolarHBondContact O-N 3.14Å; C244-A247 VanDerWaalsContact O-N 3.1Å; C244-L248 WeakPolarHBondContact O-CB 3.32Å; C244-L248 VanDerWaalsContact O-CG 3.3Å; C244-L248 WeakPolarHBondContact O-CG 3.3Å; C244-L248 PolarHBondContact O-N 3.43Å; C244-L248 WeakPolarHBondContact SG-CD1 3.44Å; C244-C277 VanDerWaalsContact CA-SG 3.55Å; C244-C277 HydrophobicContact CB-CB 3.91Å; C244-C277 WeakPolarHBondContact CB-SG 3.28Å; C244-C277 WeakPolarHBondContact SG-CB 3.02Å; C244-C277 CovalentContact SG-SG 2.03Å; C244-C277 PolarHBondContact SG-SG 3.05Å
245	I	97.6	Very high	96	Very high	36 Å²	36	31.6 Å²	31.6	19%	0.185	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-43.3	179.8	-65.6	164.8	0	0	0	111.1	S76 K80 P240 T241 A247 L248 M249	S76-I245 WeakPolarHBondContact OG-CG2 3.21Å; K80-I245 HydrophobicContact CB-CG1 4.43Å; K80-I245 HydrophobicContact CD-CD1 4.08Å; K80-I245 HydrophobicContact CG-CD1 4.48Å; K80-I245 HydrophobicContact CG-CG1 4.41Å; P240-I245 HydrophobicContact CB-CG1 4.15Å; P240-I245 HydrophobicContact CG-CD1 4.33Å; P240-I245 HydrophobicContact CG-CG1 3.93Å; T241-I245 WeakPolarHBondContact O-CG1 3.22Å; T241-I245 PolarHBondContact O-N 3.37Å; I245-A247 PolarHBondContact O-N 3.22Å; I245-L248 PolarHBondContact O-N 3.35Å; I245-M249 WeakPolarHBondContact O-CB 3.4Å; I245-M249 PolarHBondContact O-N 3.08Å
246	R	97.5	Very high	96	Very high	107 Å²	107	33 Å²	33	40%	0.404	18%	0.175	S	C	.	.	H	α-helix	trans	-59.6	-46.3	174.3	-72.7	-176	-71.9	141.1	-4.5	111.7	I59 P242 G243 C244 M249 K250 E450	I59-R246 HydrophobicContact CD1-CG 4.26Å; I59-R246 HydrophobicContact CG1-CG 4.21Å; I59-R246 HydrophobicContact CG2-CB 4.38Å; I59-R246 VanDerWaalsContact CG2-O 3.23Å; I59-R246 WeakPolarHBondContact CG2-O 3.04Å; P242-R246 WeakPolarHBondContact O-CG 3.23Å; P242-R246 PolarHBondContact O-N 2.99Å; G243-R246 PolarHBondContact O-N 2.87Å; C244-R246 VanDerWaalsContact C-N 3.32Å; C244-R246 PolarHBondContact O-N 3.22Å; R246-M249 PolarHBondContact O-N 3.41Å; R246-K250 WeakPolarHBondContact O-CB 3.2Å; R246-K250 PolarHBondContact O-N 3.23Å; R246-E450 IonicContact CZ-OE2 3.04Å; R246-E450 VanDerWaalsContact CZ-OE2 3.31Å; R246-E450 IonicContact NH1-OE1 2.65Å; R246-E450 IonicContact NH1-OE2 3.91Å; R246-E450 PolarHBondContact NH1-OE2 3.18Å; R246-E450 IonicContact NH2-OE2 3.91Å; R246-E450 PolarHBondContact NH2-OE2 3.1Å
247	A	98.1	Very high	96.1	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-40	179.6	0	0	0	0	0	112.9	G243 C244 I245 K250 M251 V273 E448 V449	G243-A247 PolarHBondContact O-N 3.46Å; G243-A247 VanDerWaalsContact O-N 3.1Å; C244-A247 PolarHBondContact O-N 3.14Å; C244-A247 VanDerWaalsContact O-N 3.1Å; I245-A247 PolarHBondContact O-N 3.22Å; A247-K250 PolarHBondContact O-N 2.9Å; A247-M251 VanDerWaalsContact O-CB 3.31Å; A247-M251 WeakPolarHBondContact O-CB 3.37Å; A247-M251 PolarHBondContact O-N 3.19Å; A247-V273 HydrophobicContact CB-CG1 4.06Å; A247-V273 HydrophobicContact CB-CG2 4.46Å; A247-E448 WeakPolarHBondContact CB-O 3.17Å; A247-V449 HydrophobicContact CB-CB 4.48Å; A247-V449 HydrophobicContact CB-CG2 3.71Å
248	L	97.9	Very high	96.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-44.5	175.6	-72.1	168.6	0	0	0	111.7	F83 C244 I245 K250 M251 L252 V273 M274	F83-L248 HydrophobicContact CB-CD1 3.51Å; F83-L248 HydrophobicContact CB-CD2 4.11Å; F83-L248 HydrophobicContact CB-CG 4.45Å; F83-L248 HydrophobicContact CD1-CD1 4.06Å; F83-L248 HydrophobicContact CD2-CD1 3.95Å; F83-L248 HydrophobicContact CD2-CD2 3.83Å; F83-L248 HydrophobicContact CG-CD1 3.56Å; F83-L248 HydrophobicContact CG-CD2 4.2Å; C244-L248 WeakPolarHBondContact O-CB 3.32Å; C244-L248 VanDerWaalsContact O-CG 3.3Å; C244-L248 WeakPolarHBondContact O-CG 3.3Å; C244-L248 PolarHBondContact O-N 3.43Å; C244-L248 WeakPolarHBondContact SG-CD1 3.44Å; I245-L248 PolarHBondContact O-N 3.35Å; L248-K250 VanDerWaalsContact C-N 3.35Å; L248-M251 HydrophobicContact CD2-CE 4.29Å; L248-M251 PolarHBondContact O-N 3.46Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 PolarHBondContact O-N 3.34Å; L248-V273 HydrophobicContact CD2-CG1 3.98Å; L248-V273 HydrophobicContact CG-CG1 4.39Å; L248-M274 HydrophobicContact CD2-CE 4.07Å; L248-M274 HydrophobicContact CD2-SD 4.43Å
249	M	97.4	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-45.7	173.4	174.8	57.1	-170.8	0	0	111.1	I59 E72 L75 S76 S79 I245 R246 M251 Y253 C254	I59-M249 HydrophobicContact CB-CG 4.25Å; I59-M249 HydrophobicContact CD1-CB 4.14Å; I59-M249 HydrophobicContact CD1-CG 3.84Å; I59-M249 HydrophobicContact CG2-CB 4.03Å; I59-M249 HydrophobicContact CG2-CG 3.85Å; E72-M249 HydrophobicContact CB-CE 4.36Å; E72-M249 HydrophobicContact CG-CE 3.72Å; L75-M249 HydrophobicContact CB-CE 3.52Å; L75-M249 HydrophobicContact CB-SD 3.55Å; L75-M249 VanDerWaalsContact CB-SD 3.55Å; L75-M249 HydrophobicContact CD1-CE 4.19Å; L75-M249 HydrophobicContact CG-CE 4.49Å; S76-M249 PolarHBondContact N-SD 3.28Å; S76-M249 VanDerWaalsContact N-SD 3.39Å; S79-M249 PolarHBondContact OG-N 3.09Å; I245-M249 WeakPolarHBondContact O-CB 3.4Å; I245-M249 PolarHBondContact O-N 3.08Å; R246-M249 PolarHBondContact O-N 3.41Å; M249-M251 VanDerWaalsContact C-N 3.31Å; M249-M251 PolarHBondContact O-N 2.96Å; M249-Y253 PolarHBondContact O-N 3.3Å; M249-Y253 VanDerWaalsContact SD-CB 3.57Å; M249-Y253 HydrophobicContact SD-CD2 4.18Å; M249-Y253 HydrophobicContact SD-CG 4.35Å; M249-C254 PolarHBondContact O-N 3.03Å
250	K	97.9	Very high	96.1	Very high	44 Å²	44	26.9 Å²	26.9	19%	0.191	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-42.3	176.6	-167.7	-177.2	175.2	-166.7	0	112.6	I59 R246 A247 L248 C254 W423 G425 H426	I59-K250 HydrophobicContact CG2-CB 4.23Å; R246-K250 WeakPolarHBondContact O-CB 3.2Å; R246-K250 PolarHBondContact O-N 3.23Å; A247-K250 PolarHBondContact O-N 2.9Å; L248-K250 VanDerWaalsContact C-N 3.35Å; K250-C254 VanDerWaalsContact CA-SG 3.51Å; K250-C254 WeakPolarHBondContact O-CB 3.38Å; K250-W423 PolarHBondContact O-NE1 3.04Å; K250-G425 WeakPolarHBondContact CE-O 3.34Å; K250-H426 PolarHBondContact NZ-NE2 3.21Å
251	M	97.6	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-73.3	-50.9	-178.2	-174.7	-172.5	72.4	0	0	112.4	A247 L248 M249 P265 Y269 C270 V273 M274 W423	A247-M251 VanDerWaalsContact O-CB 3.31Å; A247-M251 WeakPolarHBondContact O-CB 3.37Å; A247-M251 PolarHBondContact O-N 3.19Å; L248-M251 HydrophobicContact CD2-CE 4.29Å; L248-M251 PolarHBondContact O-N 3.46Å; M249-M251 VanDerWaalsContact C-N 3.31Å; M249-M251 PolarHBondContact O-N 2.96Å; M251-P265 HydrophobicContact CG-CB 3.74Å; M251-P265 HydrophobicContact CG-CG 3.68Å; M251-P265 WeakPolarHBondContact O-CG 3.26Å; M251-P265 HydrophobicContact SD-CB 4.34Å; M251-P265 HydrophobicContact SD-CG 4.48Å; M251-Y269 HydrophobicContact CB-CE1 3.85Å; M251-Y269 HydrophobicContact CG-CD1 3.94Å; M251-Y269 HydrophobicContact CG-CE1 3.69Å; M251-C270 VanDerWaalsContact SD-CA 3.53Å; M251-C270 HydrophobicContact SD-CB 3.9Å; M251-V273 HydrophobicContact CB-CG2 4.25Å; M251-V273 HydrophobicContact CE-CG1 4.4Å; M251-V273 HydrophobicContact CG-CG2 4.43Å; M251-V273 HydrophobicContact SD-CB 3.84Å; M251-V273 HydrophobicContact SD-CG1 4.03Å; M251-V273 HydrophobicContact SD-CG2 3.91Å; M251-M274 HydrophobicContact CE-CE 3.9Å; M251-W423 PolarHBondContact O-NE1 3.47Å
252	L	96.4	Very high	95.9	Very high	24 Å²	24	29.3 Å²	29.3	13%	0.126	16%	0.157	C	C	.	.	H	α-helix	trans	-84.9	-37.2	-169.8	-66.5	174.1	0	0	0	113.6	L248 P265	L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 PolarHBondContact O-N 3.34Å; L252-P265 HydrophobicContact CD2-CG 4.35Å
253	Y	96.8	Very high	95.8	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.02	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-13.9	-163.3	-69	-57.2	0	0	0	115.8	K40 L75 Q78 E82 M249 Y256 C257	K40-Y253 WeakPolarHBondContact CE-OH 3.27Å; K40-Y253 PolarHBondContact NZ-OH 3.04Å; L75-Y253 HydrophobicContact CB-CD2 4.1Å; L75-Y253 HydrophobicContact CB-CG 4.02Å; L75-Y253 HydrophobicContact CD2-CD1 3.77Å; L75-Y253 HydrophobicContact CD2-CD2 4.35Å; L75-Y253 HydrophobicContact CD2-CE1 4.12Å; L75-Y253 HydrophobicContact CD2-CG 3.91Å; L75-Y253 HydrophobicContact CG-CG 4.38Å; L75-Y253 VanDerWaalsContact O-CD2 3.32Å; L75-Y253 WeakPolarHBondContact O-CD2 3.4Å; Q78-Y253 HydrophobicContact CB-CE2 4.14Å; Q78-Y253 HydrophobicContact CG-CE2 4.01Å; Q78-Y253 WeakPolarHBondContact CG-OH 3.22Å; E82-Y253 PolarHBondContact OE1-OH 3.19Å; E82-Y253 PolarHBondContact OE2-OH 3.21Å; M249-Y253 PolarHBondContact O-N 3.3Å; M249-Y253 VanDerWaalsContact SD-CB 3.57Å; M249-Y253 HydrophobicContact SD-CD2 4.18Å; M249-Y253 HydrophobicContact SD-CG 4.35Å; Y253-Y256 AromaticContact CD1-CD2 3.8Å; Y253-Y256 HydrophobicContact CD1-CD2 3.8Å; Y253-Y256 AromaticContact CD1-CE2 3.73Å; Y253-Y256 HydrophobicContact CD1-CE2 3.73Å; Y253-Y256 HydrophobicContact CD1-CG 4.31Å; Y253-Y256 HydrophobicContact CE1-CE2 4.07Å; Y253-Y256 VanDerWaalsContact O-CB 3.25Å; Y253-Y256 WeakPolarHBondContact O-CB 3.26Å; Y253-Y256 PolarHBondContact O-N 2.94Å; Y253-C257 PolarHBondContact O-N 3.19Å
254	C	97.2	Very high	95.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-24.6	167.4	-65.9	0	0	0	0	115.1	C60 M249 K250 Y256 C257 R258 W423	C60-C254 WeakPolarHBondContact CA-SG 3.45Å; C60-C254 HydrophobicContact CB-CB 3.93Å; C60-C254 WeakPolarHBondContact CB-SG 3.4Å; C60-C254 WeakPolarHBondContact SG-CA 3.22Å; C60-C254 WeakPolarHBondContact SG-CB 3.34Å; C60-C254 CovalentContact SG-SG 2.03Å; C60-C254 PolarHBondContact SG-SG 2.94Å; M249-C254 PolarHBondContact O-N 3.03Å; K250-C254 VanDerWaalsContact CA-SG 3.51Å; K250-C254 WeakPolarHBondContact O-CB 3.38Å; C254-Y256 VanDerWaalsContact C-N 3.25Å; C254-Y256 PolarHBondContact O-N 3.35Å; C254-C257 PolarHBondContact O-N 3Å; C254-C257 VanDerWaalsContact O-N 3.17Å; C254-R258 VanDerWaalsContact O-CG 3.29Å; C254-R258 WeakPolarHBondContact O-CG 3.5Å; C254-R258 PolarHBondContact O-N 3.4Å; C254-W423 HydrophobicContact CB-CH2 4.44Å; C254-W423 HydrophobicContact CB-CZ2 3.77Å
255	P	95.5	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.5	-37.7	166.2	-26.5	34.8	0	0	0	113.3	C257 R258 G259 L260 W423	P255-C257 VanDerWaalsContact C-N 3.33Å; P255-C257 PolarHBondContact O-N 3.38Å; P255-R258 CarbonylContact O-C 3.56Å; P255-R258 PolarHBondContact O-N 2.97Å; P255-R258 VanDerWaalsContact O-N 3.16Å; P255-G259 PolarHBondContact O-N 3.41Å; P255-L260 HydrophobicContact CB-CB 4.48Å; P255-L260 VanDerWaalsContact CB-O 3.27Å; P255-L260 WeakPolarHBondContact CB-O 3.49Å; P255-L260 CarbonylContact O-C 3.36Å; P255-L260 WeakPolarHBondContact O-CA 3.48Å; P255-L260 PolarHBondContact O-N 3.39Å; P255-W423 HydrophobicContact CG-CB 4.08Å; P255-W423 HydrophobicContact CG-CD2 3.59Å; P255-W423 HydrophobicContact CG-CE3 4.13Å; P255-W423 HydrophobicContact CG-CG 3.55Å; P255-W423 HydrophobicContact CG-CZ2 4.47Å
256	Y	95.1	Very high	95.8	Very high	31 Å²	31	29.4 Å²	29.4	12%	0.122	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-45.6	176.2	-72.3	-123.9	0	0	0	109.8	V33 A36 Y253 C254 R258 G259 P261	V33-Y256 WeakPolarHBondContact CG1-O 3.36Å; V33-Y256 WeakPolarHBondContact CG2-O 3.19Å; A36-Y256 HydrophobicContact CB-CD1 4.08Å; A36-Y256 HydrophobicContact CB-CE1 3.51Å; Y253-Y256 AromaticContact CD1-CD2 3.8Å; Y253-Y256 HydrophobicContact CD1-CD2 3.8Å; Y253-Y256 AromaticContact CD1-CE2 3.73Å; Y253-Y256 HydrophobicContact CD1-CE2 3.73Å; Y253-Y256 HydrophobicContact CD1-CG 4.31Å; Y253-Y256 HydrophobicContact CE1-CE2 4.07Å; Y253-Y256 VanDerWaalsContact O-CB 3.25Å; Y253-Y256 WeakPolarHBondContact O-CB 3.26Å; Y253-Y256 PolarHBondContact O-N 2.94Å; C254-Y256 VanDerWaalsContact C-N 3.25Å; C254-Y256 PolarHBondContact O-N 3.35Å; Y256-R258 PolarHBondContact O-N 3.49Å; Y256-G259 PolarHBondContact O-N 3.36Å; Y256-G259 VanDerWaalsContact O-N 3.13Å; Y256-P261 HydrophobicContact CD1-CB 3.91Å; Y256-P261 HydrophobicContact CD2-CB 4.09Å; Y256-P261 HydrophobicContact CE1-CB 4.01Å; Y256-P261 HydrophobicContact CE2-CB 4.15Å; Y256-P261 HydrophobicContact CG-CB 3.94Å
257	C	95.4	Very high	95.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-65.5	-20.6	178.7	-57.4	0	0	0	0	113.1	C60 T65 C66 C67 Y253 C254 P255	C60-C257 HydrophobicContact CB-CB 4.44Å; T65-C257 CarbonylContact C-O 3.55Å; T65-C257 WeakPolarHBondContact CA-O 3.38Å; T65-C257 WeakPolarHBondContact CB-O 3.49Å; T65-C257 WeakPolarHBondContact OG1-CB 3.41Å; T65-C257 PolarHBondContact OG1-O 2.97Å; C66-C257 PolarHBondContact N-O 3.15Å; C67-C257 HydrophobicContact CB-CB 3.66Å; C67-C257 WeakPolarHBondContact CB-SG 3.38Å; C67-C257 WeakPolarHBondContact SG-CA 3.28Å; C67-C257 WeakPolarHBondContact SG-CB 3.44Å; C67-C257 CovalentContact SG-SG 2.04Å; C67-C257 PolarHBondContact SG-SG 3.46Å; Y253-C257 PolarHBondContact O-N 3.19Å; C254-C257 PolarHBondContact O-N 3Å; C254-C257 VanDerWaalsContact O-N 3.17Å; P255-C257 VanDerWaalsContact C-N 3.33Å; P255-C257 PolarHBondContact O-N 3.38Å
258	R	93.9	Very high	95.6	Very high	53 Å²	53	27.6 Å²	27.6	20%	0.2	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	10.2	177.4	-63.9	-77.5	-90.3	160.9	-15.6	113.6	E63 C254 P255 Y256 L260 W423 H426	E63-R258 VanDerWaalsContact CD-CZ 3.49Å; E63-R258 VanDerWaalsContact CD-NH1 3.31Å; E63-R258 IonicContact OE1-CZ 3.49Å; E63-R258 IonicContact OE1-NH1 3.84Å; E63-R258 IonicContact OE1-NH2 3.64Å; E63-R258 PolarHBondContact OE1-NH2 3.5Å; E63-R258 IonicContact OE2-CZ 2.95Å; E63-R258 IonicContact OE2-NH1 3.85Å; E63-R258 PolarHBondContact OE2-NH1 3.24Å; E63-R258 IonicContact OE2-NH2 2.63Å; E63-R258 PolarHBondContact OE2-NH2 2.97Å; C254-R258 VanDerWaalsContact O-CG 3.29Å; C254-R258 WeakPolarHBondContact O-CG 3.5Å; C254-R258 PolarHBondContact O-N 3.4Å; P255-R258 CarbonylContact O-C 3.56Å; P255-R258 PolarHBondContact O-N 2.97Å; P255-R258 VanDerWaalsContact O-N 3.16Å; Y256-R258 PolarHBondContact O-N 3.49Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-L260 PolarHBondContact O-N 3.06Å; R258-W423 HydrophobicContact CG-CH2 4.12Å; R258-W423 HydrophobicContact CG-CZ3 4.45Å; R258-H426 PolarHBondContact NH2-O 2.86Å
259	G	93	Very high	95.6	Very high	19 Å²	19	27.6 Å²	27.6	20%	0.196	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	19.3	179.9	0	0	0	0	0	114.4	P255 Y256	P255-G259 PolarHBondContact O-N 3.41Å; Y256-G259 PolarHBondContact O-N 3.36Å; Y256-G259 VanDerWaalsContact O-N 3.13Å
260	L	93.5	Very high	95.6	Very high	55 Å²	55	27.6 Å²	27.6	29%	0.288	14%	0.14	S	C	.	.			trans	-125.6	51.7	-175.4	-62.6	173.4	0	0	0	112.1	P255 R258 T262 V263 K428	P255-L260 HydrophobicContact CB-CB 4.48Å; P255-L260 VanDerWaalsContact CB-O 3.27Å; P255-L260 WeakPolarHBondContact CB-O 3.49Å; P255-L260 CarbonylContact O-C 3.36Å; P255-L260 WeakPolarHBondContact O-CA 3.48Å; P255-L260 PolarHBondContact O-N 3.39Å; R258-L260 VanDerWaalsContact C-N 3.33Å; R258-L260 PolarHBondContact O-N 3.06Å; L260-T262 PolarHBondContact O-N 3.01Å; L260-T262 VanDerWaalsContact O-N 3.08Å; L260-V263 HydrophobicContact CB-CB 4.33Å; L260-V263 HydrophobicContact CB-CG2 3.85Å; L260-V263 HydrophobicContact CD2-CG2 4.44Å; L260-V263 PolarHBondContact O-N 3.18Å; L260-V263 VanDerWaalsContact O-N 3.12Å; L260-K428 HydrophobicContact CD1-CB 4.47Å
261	P	93.1	Very high	95.6	Very high	13 Å²	13	25.7 Å²	25.7	8%	0.084	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.6	-170.8	29	-36.5	0	0	0	114.5	E32 V33 A36 Y256	E32-P261 HydrophobicContact CB-CG 4.05Å; V33-P261 HydrophobicContact CG2-CG 4.4Å; A36-P261 HydrophobicContact CB-CB 3.61Å; A36-P261 HydrophobicContact CB-CG 4.09Å; Y256-P261 HydrophobicContact CD1-CB 3.91Å; Y256-P261 HydrophobicContact CD2-CB 4.09Å; Y256-P261 HydrophobicContact CE1-CB 4.01Å; Y256-P261 HydrophobicContact CE2-CB 4.15Å; Y256-P261 HydrophobicContact CG-CB 3.94Å
262	T	91.8	Very high	95.6	Very high	112 Å²	112	25.7 Å²	25.7	69%	0.687	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.5	179.1	55.4	0	0	0	0	113.5	L260 R264	L260-T262 PolarHBondContact O-N 3.01Å; L260-T262 VanDerWaalsContact O-N 3.08Å; T262-R264 PolarHBondContact O-N 3.16Å
263	V	93.9	Very high	95.7	Very high	18 Å²	18	24.5 Å²	24.5	11%	0.109	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-80	122.7	-177.5	-178.2	0	0	0	0	109.9	L260 W423 K428	L260-V263 HydrophobicContact CB-CB 4.33Å; L260-V263 HydrophobicContact CB-CG2 3.85Å; L260-V263 HydrophobicContact CD2-CG2 4.44Å; L260-V263 PolarHBondContact O-N 3.18Å; L260-V263 VanDerWaalsContact O-N 3.12Å; V263-W423 HydrophobicContact CG1-CB 3.88Å; V263-K428 HydrophobicContact CG1-CB 4.34Å; V263-K428 HydrophobicContact CG1-CD 4.42Å; V263-K428 HydrophobicContact CG1-CG 4.01Å; V263-K428 HydrophobicContact CG2-CD 3.98Å; V263-K428 HydrophobicContact CG2-CG 4.38Å
264	R	95.2	Very high	95.7	Very high	124 Å²	124	24.3 Å²	24.3	47%	0.468	13%	0.125	S	C	.	.	P	Polyproline II helix	trans	-90.2	151.4	178.3	-61.6	-65.8	-174.2	156.3	8.1	111.7	T262 R411 A414 W423	T262-R264 PolarHBondContact O-N 3.16Å; R264-R411 PolarHBondContact NH1-O 3.43Å; R264-A414 HydrophobicContact CB-CB 3.97Å; R264-W423 PolarHBondContact O-N 3.43Å
265	P	96.9	Very high	95.8	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.026	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-55.7	146.7	173.8	-23.4	31.8	0	0	0	113.7	M251 L252 Y269 V412 T413 A414 W423	M251-P265 HydrophobicContact CG-CB 3.74Å; M251-P265 HydrophobicContact CG-CG 3.68Å; M251-P265 WeakPolarHBondContact O-CG 3.26Å; M251-P265 HydrophobicContact SD-CB 4.34Å; M251-P265 HydrophobicContact SD-CG 4.48Å; L252-P265 HydrophobicContact CD2-CG 4.35Å; P265-Y269 HydrophobicContact CB-CD1 4.38Å; P265-V412 WeakPolarHBondContact CD-O 3.47Å; P265-T413 WeakPolarHBondContact O-CA 3.14Å; P265-T413 WeakPolarHBondContact O-CB 3.47Å; P265-A414 PolarHBondContact O-N 2.89Å; P265-W423 WeakPolarHBondContact CA-O 3.44Å
266	C	96.9	Very high	95.9	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.02	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-63.2	146.2	167.3	-58.2	0	0	0	0	110.8	N268 Y269 C270 C422 W423	C266-N268 PolarHBondContact O-N 3.49Å; C266-Y269 WeakPolarHBondContact O-CB 3.38Å; C266-Y269 PolarHBondContact O-N 2.86Å; C266-C270 PolarHBondContact O-N 3.28Å; C266-C422 WeakPolarHBondContact CA-SG 3.34Å; C266-C422 HydrophobicContact CB-CB 3.87Å; C266-C422 WeakPolarHBondContact CB-SG 3.44Å; C266-C422 VanDerWaalsContact SG-C 3.51Å; C266-C422 WeakPolarHBondContact SG-CB 3.34Å; C266-C422 CovalentContact SG-SG 2.02Å; C266-C422 PolarHBondContact SG-SG 2.88Å; C266-W423 PolarHBondContact N-O 3.01Å; C266-W423 PolarHBondContact SG-O 3.28Å
267	N	95.8	Very high	96	Very high	17 Å²	17	23.8 Å²	23.8	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-49	-178.2	-175.1	-91.1	0	0	0	112	Y269 C270 L271 C407 T416	N267-Y269 VanDerWaalsContact C-N 3.32Å; N267-Y269 PolarHBondContact O-N 3.16Å; N267-C270 WeakPolarHBondContact O-CB 3.1Å; N267-C270 PolarHBondContact O-N 2.89Å; N267-C270 VanDerWaalsContact O-N 3.17Å; N267-L271 WeakPolarHBondContact O-CG 3.44Å; N267-L271 PolarHBondContact O-N 3.16Å; N267-C407 PolarHBondContact ND2-O 3.19Å; N267-T416 HydrophobicContact CB-CG2 4.23Å
268	N	95.7	Very high	96.1	Very high	55 Å²	55	23.9 Å²	23.9	29%	0.294	13%	0.126	S	C	.	.	H	α-helix	trans	-66.6	-32.9	179.6	-66.6	-3.5	0	0	0	112.9	C266 L271 N272 Y431 I435	C266-N268 PolarHBondContact O-N 3.49Å; N268-L271 PolarHBondContact O-N 3.36Å; N268-N272 PolarHBondContact O-N 2.82Å; N268-N272 VanDerWaalsContact O-N 3.08Å; N268-Y431 HydrophobicContact CB-CD1 3.66Å; N268-Y431 HydrophobicContact CB-CE1 4.14Å; N268-I435 HydrophobicContact CB-CD1 4.44Å; N268-I435 HydrophobicContact CB-CG1 4.11Å
269	Y	97.6	Very high	96.2	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-47.6	172.9	179.9	-150.4	0	0	0	110.5	M251 P265 C266 N267 L271 N272 V273 W423 Y431 E448	M251-Y269 HydrophobicContact CB-CE1 3.85Å; M251-Y269 HydrophobicContact CG-CD1 3.94Å; M251-Y269 HydrophobicContact CG-CE1 3.69Å; P265-Y269 HydrophobicContact CB-CD1 4.38Å; C266-Y269 WeakPolarHBondContact O-CB 3.38Å; C266-Y269 PolarHBondContact O-N 2.86Å; N267-Y269 VanDerWaalsContact C-N 3.32Å; N267-Y269 PolarHBondContact O-N 3.16Å; Y269-L271 VanDerWaalsContact C-N 3.31Å; Y269-L271 PolarHBondContact O-N 2.96Å; Y269-N272 PolarHBondContact O-N 3.33Å; Y269-V273 HydrophobicContact CD2-CG2 3.94Å; Y269-V273 HydrophobicContact CE2-CG2 3.53Å; Y269-V273 WeakPolarHBondContact O-CG2 3.49Å; Y269-V273 PolarHBondContact O-N 3.47Å; Y269-W423 WeakPolarHBondContact CD1-O 3.34Å; Y269-W423 AromaticContact CE1-CD1 3.71Å; Y269-W423 AromaticContact CE1-NE1 3.81Å; Y269-Y431 HydrophobicContact CD2-CD2 4.11Å; Y269-Y431 AromaticContact CD2-CE2 3.57Å; Y269-Y431 HydrophobicContact CD2-CE2 3.57Å; Y269-Y431 HydrophobicContact CE2-CE2 4.48Å; Y269-Y431 AromaticContact CG-CD2 3.94Å; Y269-Y431 HydrophobicContact CG-CD2 3.94Å; Y269-Y431 AromaticContact CG-CE2 3.89Å; Y269-Y431 HydrophobicContact CG-CE2 3.89Å; Y269-E448 HydrophobicContact CD2-CG 3.74Å; Y269-E448 HydrophobicContact CE2-CB 4.08Å; Y269-E448 VanDerWaalsContact CE2-CD 3.47Å; Y269-E448 HydrophobicContact CE2-CG 3.63Å; Y269-E448 WeakPolarHBondContact CE2-OE2 3.17Å
270	C	97.8	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.1	-44.2	173.9	177.7	0	0	0	0	112	M251 C266 N267 N272 V273 M274 C407 T413	M251-C270 VanDerWaalsContact SD-CA 3.53Å; M251-C270 HydrophobicContact SD-CB 3.9Å; C266-C270 PolarHBondContact O-N 3.28Å; N267-C270 WeakPolarHBondContact O-CB 3.1Å; N267-C270 PolarHBondContact O-N 2.89Å; N267-C270 VanDerWaalsContact O-N 3.17Å; C270-N272 PolarHBondContact O-N 3.35Å; C270-V273 PolarHBondContact O-N 3.09Å; C270-M274 WeakPolarHBondContact O-CB 3.41Å; C270-M274 VanDerWaalsContact O-CG 3.26Å; C270-M274 WeakPolarHBondContact O-CG 3.27Å; C270-M274 PolarHBondContact O-N 3.07Å; C270-C407 HydrophobicContact CB-CB 3.79Å; C270-C407 WeakPolarHBondContact CB-SG 3.46Å; C270-C407 PolarHBondContact O-SG 3.4Å; C270-C407 VanDerWaalsContact O-SG 3.41Å; C270-C407 VanDerWaalsContact SG-CA 3.53Å; C270-C407 WeakPolarHBondContact SG-CB 3.23Å; C270-C407 CovalentContact SG-SG 2.04Å; C270-C407 PolarHBondContact SG-SG 2.89Å; C270-T413 HydrophobicContact CB-CG2 3.54Å
271	L	97.6	Very high	96.4	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-44.6	179	-70.3	174.1	0	0	0	112	N267 N268 Y269 M274 K275 P403 Y404 C407 I435	N267-L271 WeakPolarHBondContact O-CG 3.44Å; N267-L271 PolarHBondContact O-N 3.16Å; N268-L271 PolarHBondContact O-N 3.36Å; Y269-L271 VanDerWaalsContact C-N 3.31Å; Y269-L271 PolarHBondContact O-N 2.96Å; L271-M274 PolarHBondContact O-N 2.98Å; L271-K275 VanDerWaalsContact O-CB 3.28Å; L271-K275 WeakPolarHBondContact O-CB 3.33Å; L271-K275 VanDerWaalsContact O-CG 3.26Å; L271-K275 WeakPolarHBondContact O-CG 3.28Å; L271-K275 PolarHBondContact O-N 3.24Å; L271-P403 HydrophobicContact CD2-CB 4.27Å; L271-Y404 HydrophobicContact CD1-CD1 4.08Å; L271-Y404 HydrophobicContact CD1-CE1 3.9Å; L271-Y404 HydrophobicContact CD2-CD1 3.61Å; L271-Y404 HydrophobicContact CD2-CE1 3.97Å; L271-Y404 HydrophobicContact CD2-CG 4.02Å; L271-C407 HydrophobicContact CD2-CB 3.9Å; L271-C407 HydrophobicContact CG-CB 4.22Å; L271-C407 PolarHBondContact N-SG 3.29Å; L271-C407 VanDerWaalsContact N-SG 3.43Å; L271-I435 HydrophobicContact CB-CG2 4.17Å; L271-I435 HydrophobicContact CD1-CD1 3.7Å; L271-I435 HydrophobicContact CD1-CG1 4.3Å; L271-I435 HydrophobicContact CD1-CG2 4.49Å
272	N	98.2	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.2	-40	178.2	-81.3	-18.6	0	0	0	112.8	N268 Y269 C270 G276 Y431 E434 I435 M436 N446 E448	N268-N272 PolarHBondContact O-N 2.82Å; N268-N272 VanDerWaalsContact O-N 3.08Å; Y269-N272 PolarHBondContact O-N 3.33Å; C270-N272 PolarHBondContact O-N 3.35Å; N272-G276 PolarHBondContact O-N 3.42Å; N272-Y431 PolarHBondContact ND2-OH 2.91Å; N272-E434 PolarHBondContact ND2-O 2.74Å; N272-I435 VanDerWaalsContact OD1-CA 3.3Å; N272-I435 WeakPolarHBondContact OD1-CA 3.45Å; N272-M436 WeakPolarHBondContact OD1-CG 3.49Å; N272-M436 PolarHBondContact OD1-N 3.39Å; N272-N446 PolarHBondContact O-ND2 3.34Å; N272-E448 HydrophobicContact CB-CB 4.5Å; N272-E448 HydrophobicContact CB-CG 3.8Å
273	V	98.4	Very high	96.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-50.7	173.6	174.4	0	0	0	0	110.6	A247 L248 M251 Y269 C270 K275 G276 C277 E448	A247-V273 HydrophobicContact CB-CG1 4.06Å; A247-V273 HydrophobicContact CB-CG2 4.46Å; L248-V273 HydrophobicContact CD2-CG1 3.98Å; L248-V273 HydrophobicContact CG-CG1 4.39Å; M251-V273 HydrophobicContact CB-CG2 4.25Å; M251-V273 HydrophobicContact CE-CG1 4.4Å; M251-V273 HydrophobicContact CG-CG2 4.43Å; M251-V273 HydrophobicContact SD-CB 3.84Å; M251-V273 HydrophobicContact SD-CG1 4.03Å; M251-V273 HydrophobicContact SD-CG2 3.91Å; Y269-V273 HydrophobicContact CD2-CG2 3.94Å; Y269-V273 HydrophobicContact CE2-CG2 3.53Å; Y269-V273 WeakPolarHBondContact O-CG2 3.49Å; Y269-V273 PolarHBondContact O-N 3.47Å; C270-V273 PolarHBondContact O-N 3.09Å; V273-K275 PolarHBondContact O-N 3.18Å; V273-G276 PolarHBondContact O-N 3.33Å; V273-C277 WeakPolarHBondContact O-CB 3.43Å; V273-C277 PolarHBondContact O-N 3.01Å; V273-C277 PolarHBondContact O-SG 3.35Å; V273-E448 HydrophobicContact CG2-CB 3.78Å; V273-E448 HydrophobicContact CG2-CG 4.26Å
274	M	97.9	Very high	96.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-39.2	-178	-67.7	-56.5	171.3	0	0	112.4	F83 L248 M251 C270 L271 C277 L278 P403 I406 C407	F83-M274 HydrophobicContact CD2-CE 4.24Å; F83-M274 HydrophobicContact CD2-SD 3.74Å; F83-M274 HydrophobicContact CE2-SD 3.66Å; L248-M274 HydrophobicContact CD2-CE 4.07Å; L248-M274 HydrophobicContact CD2-SD 4.43Å; M251-M274 HydrophobicContact CE-CE 3.9Å; C270-M274 WeakPolarHBondContact O-CB 3.41Å; C270-M274 VanDerWaalsContact O-CG 3.26Å; C270-M274 WeakPolarHBondContact O-CG 3.27Å; C270-M274 PolarHBondContact O-N 3.07Å; L271-M274 PolarHBondContact O-N 2.98Å; M274-C277 PolarHBondContact O-N 3.29Å; M274-L278 VanDerWaalsContact O-CB 3.27Å; M274-L278 WeakPolarHBondContact O-CB 3.41Å; M274-L278 WeakPolarHBondContact O-CG 3.42Å; M274-L278 PolarHBondContact O-N 3.2Å; M274-P403 HydrophobicContact CB-CB 3.74Å; M274-P403 HydrophobicContact CB-CG 4.33Å; M274-I406 HydrophobicContact CE-CG2 3.75Å; M274-I406 HydrophobicContact CG-CG2 4.4Å; M274-I406 HydrophobicContact SD-CG2 4.22Å; M274-C407 VanDerWaalsContact CG-SG 3.55Å
275	K	98.1	Very high	97	Very high	7 Å²	7	10.1 Å²	10.1	3%	0.03	6%	0.057	C	C	.	.	H	α-helix	trans	-66	-37.5	175.3	-75.7	-171.9	-177.9	-147.2	0	112.6	L271 V273 A279 P403 Y404 I435 M436 D438	L271-K275 VanDerWaalsContact O-CB 3.28Å; L271-K275 WeakPolarHBondContact O-CB 3.33Å; L271-K275 VanDerWaalsContact O-CG 3.26Å; L271-K275 WeakPolarHBondContact O-CG 3.28Å; L271-K275 PolarHBondContact O-N 3.24Å; V273-K275 PolarHBondContact O-N 3.18Å; K275-A279 WeakPolarHBondContact O-CA 3.44Å; K275-A279 WeakPolarHBondContact O-CB 3.37Å; K275-A279 PolarHBondContact O-N 3.02Å; K275-A279 VanDerWaalsContact O-N 3.14Å; K275-P403 HydrophobicContact CG-CB 3.98Å; K275-P403 HydrophobicContact CG-CG 3.89Å; K275-Y404 WeakPolarHBondContact CE-OH 3.31Å; K275-Y404 PolarHBondContact NZ-OH 3.01Å; K275-I435 HydrophobicContact CD-CG2 4.16Å; K275-M436 WeakPolarHBondContact CD-O 3.27Å; K275-M436 WeakPolarHBondContact CE-O 3.44Å; K275-M436 PolarHBondContact NZ-O 2.67Å; K275-D438 WeakPolarHBondContact CE-OD1 3.42Å; K275-D438 IonicContact NZ-OD1 3.62Å; K275-D438 PolarHBondContact NZ-OD1 2.83Å
276	G	97.7	Very high	97	Very high	4 Å²	4	14.6 Å²	14.6	4%	0.041	9%	0.085	C	C	.	.	H	α-helix	trans	-65.6	-43.2	172.3	0	0	0	0	0	112.3	N272 V273	N272-G276 PolarHBondContact O-N 3.42Å; V273-G276 PolarHBondContact O-N 3.33Å
277	C	97.8	Very high	97	Very high	9 Å²	9	15.8 Å²	15.8	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-67.4	-39.2	178.3	-75.4	0	0	0	0	114.1	F83 C244 V273 M274	F83-C277 HydrophobicContact CE2-CB 3.95Å; F83-C277 HydrophobicContact CZ-CB 3.9Å; C244-C277 VanDerWaalsContact CA-SG 3.55Å; C244-C277 HydrophobicContact CB-CB 3.91Å; C244-C277 WeakPolarHBondContact CB-SG 3.28Å; C244-C277 WeakPolarHBondContact SG-CB 3.02Å; C244-C277 CovalentContact SG-SG 2.03Å; C244-C277 PolarHBondContact SG-SG 3.05Å; V273-C277 WeakPolarHBondContact O-CB 3.43Å; V273-C277 PolarHBondContact O-N 3.01Å; V273-C277 PolarHBondContact O-SG 3.35Å; M274-C277 PolarHBondContact O-N 3.29Å
278	L	97.3	Very high	97.1	Very high	3 Å²	3	15 Å²	15	2%	0.016	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	18.4	-175.2	-63.1	171.9	0	0	0	112.8	F83 V87 M274 N280 Q281 A282 L402 P403 I406	F83-L278 HydrophobicContact CE2-CD2 4.33Å; F83-L278 HydrophobicContact CE2-CG 4.3Å; F83-L278 HydrophobicContact CZ-CD2 3.7Å; F83-L278 HydrophobicContact CZ-CG 4.07Å; V87-L278 HydrophobicContact CG2-CD2 4.04Å; M274-L278 VanDerWaalsContact O-CB 3.27Å; M274-L278 WeakPolarHBondContact O-CB 3.41Å; M274-L278 WeakPolarHBondContact O-CG 3.42Å; M274-L278 PolarHBondContact O-N 3.2Å; L278-N280 VanDerWaalsContact C-N 3.34Å; L278-N280 PolarHBondContact O-N 3.02Å; L278-Q281 HydrophobicContact CB-CB 4.48Å; L278-Q281 HydrophobicContact CD2-CG 4.28Å; L278-Q281 WeakPolarHBondContact O-CB 3.26Å; L278-Q281 PolarHBondContact O-N 2.76Å; L278-Q281 VanDerWaalsContact O-N 3.13Å; L278-A282 PolarHBondContact O-N 2.87Å; L278-L402 HydrophobicContact CD1-CB 3.91Å; L278-L402 HydrophobicContact CD1-CD1 4.39Å; L278-P403 HydrophobicContact CD1-CG 4.2Å; L278-I406 HydrophobicContact CD1-CD1 4.22Å
279	A	96.8	Very high	97.3	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-41.9	-173.7	0	0	0	0	0	112.8	K275 A282 D283 L440 Q443	K275-A279 WeakPolarHBondContact O-CA 3.44Å; K275-A279 WeakPolarHBondContact O-CB 3.37Å; K275-A279 PolarHBondContact O-N 3.02Å; K275-A279 VanDerWaalsContact O-N 3.14Å; A279-A282 PolarHBondContact O-N 2.65Å; A279-D283 PolarHBondContact O-N 3.1Å; A279-L440 HydrophobicContact CB-CD1 4.09Å; A279-L440 PolarHBondContact O-N 3.41Å; A279-Q443 HydrophobicContact CB-CG 3.47Å; A279-Q443 VanDerWaalsContact CB-CG 3.47Å
280	N	95.1	Very high	97.3	Very high	19 Å²	19	16.9 Å²	16.9	10%	0.102	10%	0.095	C	C	.	.	H	α-helix	trans	-66.2	-41.8	176	-71.5	-76.7	0	0	0	110.9	L278 A282 D283 D457 I460	L278-N280 VanDerWaalsContact C-N 3.34Å; L278-N280 PolarHBondContact O-N 3.02Å; N280-A282 VanDerWaalsContact C-N 3.28Å; N280-A282 PolarHBondContact O-N 3.04Å; N280-D283 WeakPolarHBondContact O-CB 3.33Å; N280-D283 PolarHBondContact O-N 3.02Å; N280-D283 VanDerWaalsContact O-N 3.14Å; N280-D457 HydrophobicContact CB-CB 4.11Å; N280-D457 PolarHBondContact OD1-N 3.13Å; N280-I460 HydrophobicContact CB-CB 4.4Å; N280-I460 HydrophobicContact CB-CG1 4.02Å; N280-I460 HydrophobicContact CB-CG2 4.24Å; N280-I460 WeakPolarHBondContact O-CG2 3.02Å
281	Q	95.6	Very high	97.3	Very high	11 Å²	11	16.9 Å²	16.9	5%	0.051	10%	0.095	C	C	.	.	H	α-helix	trans	-62.2	-38.4	178.2	-68.7	81	-16	0	0	111.2	V235 L278 D283 L284 W399 I460	V235-Q281 HydrophobicContact CG1-CB 4.17Å; V235-Q281 HydrophobicContact CG1-CG 3.64Å; L278-Q281 HydrophobicContact CB-CB 4.48Å; L278-Q281 HydrophobicContact CD2-CG 4.28Å; L278-Q281 WeakPolarHBondContact O-CB 3.26Å; L278-Q281 PolarHBondContact O-N 2.76Å; L278-Q281 VanDerWaalsContact O-N 3.13Å; Q281-D283 VanDerWaalsContact C-N 3.27Å; Q281-D283 PolarHBondContact O-N 3.33Å; Q281-L284 WeakPolarHBondContact O-CB 3.4Å; Q281-L284 VanDerWaalsContact O-CD1 3.26Å; Q281-L284 WeakPolarHBondContact O-CD1 3.47Å; Q281-L284 PolarHBondContact O-N 2.73Å; Q281-L284 VanDerWaalsContact O-N 3.12Å; Q281-W399 WeakPolarHBondContact O-CB 3.16Å; Q281-I460 HydrophobicContact CG-CD1 4.25Å
282	A	96.7	Very high	97.4	Very high	14 Å²	14	16.7 Å²	16.7	12%	0.116	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-28.6	176.2	0	0	0	0	0	113.2	L278 A279 N280 L284 D285 D438	L278-A282 PolarHBondContact O-N 2.87Å; A279-A282 PolarHBondContact O-N 2.65Å; N280-A282 VanDerWaalsContact C-N 3.28Å; N280-A282 PolarHBondContact O-N 3.04Å; A282-L284 PolarHBondContact O-N 2.77Å; A282-D285 VanDerWaalsContact O-CB 3.25Å; A282-D285 WeakPolarHBondContact O-CB 3.34Å; A282-D285 PolarHBondContact O-N 3.49Å; A282-D438 HydrophobicContact CB-CB 4.27Å
283	D	95.9	Very high	97.4	Very high	36 Å²	36	19.5 Å²	19.5	19%	0.193	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.5	174.3	-77	1.9	0	0	0	112.8	A279 N280 Q281 D285 G439 L440 R461 I464	A279-D283 PolarHBondContact O-N 3.1Å; N280-D283 WeakPolarHBondContact O-CB 3.33Å; N280-D283 PolarHBondContact O-N 3.02Å; N280-D283 VanDerWaalsContact O-N 3.14Å; Q281-D283 VanDerWaalsContact C-N 3.27Å; Q281-D283 PolarHBondContact O-N 3.33Å; D283-D285 PolarHBondContact O-N 2.95Å; D283-G439 VanDerWaalsContact OD1-CA 3.26Å; D283-G439 WeakPolarHBondContact OD1-CA 3.27Å; D283-L440 PolarHBondContact OD1-N 3.49Å; D283-L440 WeakPolarHBondContact OD2-CB 3.48Å; D283-R461 IonicContact OD2-NH2 2.76Å; D283-R461 PolarHBondContact OD2-NH2 2.95Å; D283-I464 HydrophobicContact CB-CD1 4.23Å
284	L	96.2	Very high	97.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.9	172.9	-73.3	100.7	0	0	0	113	V231 V235 Q281 A282 T286 E287 W288 W399 I460 Q463 I464 L467	V231-L284 HydrophobicContact CG1-CD2 3.85Å; V235-L284 HydrophobicContact CG1-CD1 4.01Å; V235-L284 HydrophobicContact CG2-CD1 4.2Å; V235-L284 HydrophobicContact CG2-CD2 3.59Å; Q281-L284 WeakPolarHBondContact O-CB 3.4Å; Q281-L284 VanDerWaalsContact O-CD1 3.26Å; Q281-L284 WeakPolarHBondContact O-CD1 3.47Å; Q281-L284 PolarHBondContact O-N 2.73Å; Q281-L284 VanDerWaalsContact O-N 3.12Å; A282-L284 PolarHBondContact O-N 2.77Å; L284-T286 VanDerWaalsContact C-N 3.29Å; L284-T286 PolarHBondContact O-N 3.45Å; L284-E287 PolarHBondContact O-N 3.42Å; L284-W288 VanDerWaalsContact O-CB 3.27Å; L284-W288 WeakPolarHBondContact O-CB 3.23Å; L284-W288 PolarHBondContact O-N 2.96Å; L284-W399 HydrophobicContact CB-CG 4.41Å; L284-I460 HydrophobicContact CD1-CB 4.49Å; L284-I460 HydrophobicContact CD1-CD1 3.8Å; L284-I460 HydrophobicContact CD1-CG2 3.47Å; L284-I460 VanDerWaalsContact CD1-CG2 3.47Å; L284-I460 HydrophobicContact CG-CG2 4.27Å; L284-Q463 HydrophobicContact CD2-CB 3.99Å; L284-I464 HydrophobicContact CD2-CG1 4.5Å; L284-I464 HydrophobicContact CG-CD1 4.41Å; L284-I464 HydrophobicContact CG-CG1 3.85Å; L284-L467 HydrophobicContact CD2-CD1 4.07Å
285	D	96.4	Very high	97.4	Very high	24 Å²	24	19.6 Å²	19.6	13%	0.128	11%	0.111	C	C	.	.	H	α-helix	trans	-58.8	-41.3	-163.7	-162.8	60.6	0	0	0	112	A282 D283 N289 K397 W399 S400	A282-D285 VanDerWaalsContact O-CB 3.25Å; A282-D285 WeakPolarHBondContact O-CB 3.34Å; A282-D285 PolarHBondContact O-N 3.49Å; D283-D285 PolarHBondContact O-N 2.95Å; D285-N289 VanDerWaalsContact CG-ND2 3.32Å; D285-N289 WeakPolarHBondContact O-CB 3.22Å; D285-N289 PolarHBondContact O-N 3.19Å; D285-N289 PolarHBondContact O-ND2 3.14Å; D285-N289 PolarHBondContact OD1-ND2 3.39Å; D285-N289 PolarHBondContact OD2-ND2 3.49Å; D285-N289 VanDerWaalsContact OD2-ND2 3.14Å; D285-K397 VanDerWaalsContact OD1-CA 3.27Å; D285-K397 WeakPolarHBondContact OD1-CA 3.28Å; D285-W399 HydrophobicContact CB-CB 4.49Å; D285-S400 PolarHBondContact OD1-N 3.04Å; D285-S400 PolarHBondContact OD1-OG 3.43Å; D285-S400 PolarHBondContact OD2-OG 3.49Å
286	T	97	Very high	97.4	Very high	97 Å²	97	20 Å²	20	60%	0.595	11%	0.113	S	C	*	.	H	α-helix	trans	-59.5	-53.8	178	-53.4	0	0	0	0	111.9	L284 N289 L290	L284-T286 VanDerWaalsContact C-N 3.29Å; L284-T286 PolarHBondContact O-N 3.45Å; T286-N289 PolarHBondContact O-N 3.4Å; T286-L290 HydrophobicContact CG2-CD1 4.36Å; T286-L290 WeakPolarHBondContact O-CG 3.49Å; T286-L290 PolarHBondContact O-N 3.24Å
287	E	97.9	Very high	97.4	Very high	28 Å²	28	23 Å²	23	13%	0.131	13%	0.127	C	C	.	.	H	α-helix	trans	-71.3	-33.5	-176.5	-58.8	-64.1	172.4	0	0	111.9	L284 L290 F291 I464 L467 R468	L284-E287 PolarHBondContact O-N 3.42Å; E287-L290 PolarHBondContact O-N 3.16Å; E287-F291 VanDerWaalsContact O-CB 3.23Å; E287-F291 WeakPolarHBondContact O-CB 3.42Å; E287-F291 PolarHBondContact O-N 3.09Å; E287-I464 HydrophobicContact CG-CG2 3.89Å; E287-L467 HydrophobicContact CB-CB 4.2Å; E287-L467 HydrophobicContact CB-CD1 4.27Å; E287-R468 HydrophobicContact CG-CG 4.17Å; E287-R468 IonicContact OE1-CZ 2.64Å; E287-R468 VanDerWaalsContact OE1-CZ 3.23Å; E287-R468 IonicContact OE1-NE 2.73Å; E287-R468 PolarHBondContact OE1-NE 2.86Å; E287-R468 IonicContact OE1-NH2 3.94Å; E287-R468 PolarHBondContact OE1-NH2 2.7Å; E287-R468 VanDerWaalsContact OE2-CG 3.26Å; E287-R468 WeakPolarHBondContact OE2-CG 3.06Å; E287-R468 IonicContact OE2-NE 3.13Å
288	W	98.3	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-47.7	173	178.1	-95.8	0	0	0	111.1	V94 F98 V231 A232 L284 L290 F291 I292 S395 V398 W399 L467	V94-W288 HydrophobicContact CG2-CH2 3.94Å; V94-W288 HydrophobicContact CG2-CZ2 3.63Å; F98-W288 HydrophobicContact CD2-CH2 4.16Å; F98-W288 AromaticContact CE2-CH2 3.46Å; F98-W288 HydrophobicContact CE2-CH2 3.46Å; F98-W288 VanDerWaalsContact CE2-CH2 3.46Å; F98-W288 AromaticContact CE2-CZ2 3.57Å; F98-W288 HydrophobicContact CE2-CZ2 3.57Å; F98-W288 AromaticContact CZ-CH2 3.75Å; F98-W288 HydrophobicContact CZ-CH2 3.75Å; F98-W288 AromaticContact CZ-CZ2 3.95Å; F98-W288 HydrophobicContact CZ-CZ2 3.95Å; V231-W288 HydrophobicContact CB-CZ3 4.31Å; V231-W288 HydrophobicContact CG1-CE3 4.17Å; V231-W288 HydrophobicContact CG1-CZ3 4.02Å; A232-W288 HydrophobicContact CB-CH2 4.46Å; L284-W288 VanDerWaalsContact O-CB 3.27Å; L284-W288 WeakPolarHBondContact O-CB 3.23Å; L284-W288 PolarHBondContact O-N 2.96Å; W288-L290 PolarHBondContact O-N 3.46Å; W288-F291 HydrophobicContact CE3-CD1 4.43Å; W288-F291 WeakPolarHBondContact O-CB 3.35Å; W288-F291 PolarHBondContact O-N 2.84Å; W288-I292 HydrophobicContact CZ2-CD1 4.08Å; W288-I292 VanDerWaalsContact O-CG1 3.28Å; W288-I292 WeakPolarHBondContact O-CG1 3.39Å; W288-I292 PolarHBondContact O-N 3.4Å; W288-S395 PolarHBondContact NE1-O 3.49Å; W288-V398 HydrophobicContact CZ2-CG1 4.33Å; W288-W399 AromaticContact CD2-NE1 3.37Å; W288-W399 AromaticContact CE2-NE1 3.89Å; W288-W399 AromaticContact CE3-NE1 3.58Å; W288-W399 AromaticContact CG-CD1 3.65Å; W288-W399 AromaticContact CG-NE1 3.52Å; W288-L467 HydrophobicContact CB-CD1 4.25Å; W288-L467 HydrophobicContact CE3-CD1 4.22Å; W288-L467 HydrophobicContact CE3-CD2 3.95Å; W288-L467 HydrophobicContact CZ3-CD2 4.38Å
289	N	98.2	Very high	97.3	Very high	21 Å²	21	22.4 Å²	22.4	11%	0.112	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-40	178.4	-75.1	-67	0	0	0	111.9	D285 T286 F291 I292 D293 K396 K397	D285-N289 VanDerWaalsContact CG-ND2 3.32Å; D285-N289 WeakPolarHBondContact O-CB 3.22Å; D285-N289 PolarHBondContact O-N 3.19Å; D285-N289 PolarHBondContact O-ND2 3.14Å; D285-N289 PolarHBondContact OD1-ND2 3.39Å; D285-N289 PolarHBondContact OD2-ND2 3.49Å; D285-N289 VanDerWaalsContact OD2-ND2 3.14Å; T286-N289 PolarHBondContact O-N 3.4Å; N289-F291 VanDerWaalsContact C-N 3.33Å; N289-F291 PolarHBondContact O-N 2.82Å; N289-I292 PolarHBondContact O-N 3.22Å; N289-D293 WeakPolarHBondContact O-CB 3.41Å; N289-D293 VanDerWaalsContact O-CG 3.3Å; N289-D293 PolarHBondContact O-N 3.13Å; N289-K396 WeakPolarHBondContact OD1-CA 3.26Å; N289-K396 WeakPolarHBondContact OD1-CB 3.11Å; N289-K397 PolarHBondContact OD1-N 3.02Å
290	L	98.3	Very high	97.2	Very high	75 Å²	75	27.2 Å²	27.2	39%	0.393	15%	0.146	S	C	.	.	H	α-helix	trans	-62.2	-40.7	173.9	-70.6	174.5	0	0	0	112.2	T286 E287 W288 D293 A294 T471	T286-L290 HydrophobicContact CG2-CD1 4.36Å; T286-L290 WeakPolarHBondContact O-CG 3.49Å; T286-L290 PolarHBondContact O-N 3.24Å; E287-L290 PolarHBondContact O-N 3.16Å; W288-L290 PolarHBondContact O-N 3.46Å; L290-D293 PolarHBondContact O-N 2.79Å; L290-A294 WeakPolarHBondContact O-CB 3.49Å; L290-A294 PolarHBondContact O-N 2.7Å; L290-T471 HydrophobicContact CB-CG2 4.43Å
291	F	98.6	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-47.6	174.2	163.4	-101.5	0	0	0	111.6	F98 G224 E287 W288 N289 D293 A294 M295 L467 M470 T471 L474	F98-F291 HydrophobicContact CE1-CE1 4.15Å; F98-F291 HydrophobicContact CE1-CZ 4.46Å; F98-F291 HydrophobicContact CZ-CE1 4.16Å; G224-F291 WeakPolarHBondContact O-CZ 3.17Å; E287-F291 VanDerWaalsContact O-CB 3.23Å; E287-F291 WeakPolarHBondContact O-CB 3.42Å; E287-F291 PolarHBondContact O-N 3.09Å; W288-F291 HydrophobicContact CE3-CD1 4.43Å; W288-F291 WeakPolarHBondContact O-CB 3.35Å; W288-F291 PolarHBondContact O-N 2.84Å; N289-F291 VanDerWaalsContact C-N 3.33Å; N289-F291 PolarHBondContact O-N 2.82Å; F291-D293 VanDerWaalsContact C-N 3.31Å; F291-D293 PolarHBondContact O-N 2.62Å; F291-A294 PolarHBondContact O-N 3.43Å; F291-M295 HydrophobicContact CD2-CG 4.27Å; F291-M295 HydrophobicContact CE1-CG 4.06Å; F291-M295 HydrophobicContact CE2-CG 3.72Å; F291-M295 HydrophobicContact CE2-SD 4.07Å; F291-M295 HydrophobicContact CZ-CG 3.58Å; F291-M295 HydrophobicContact CZ-SD 4.05Å; F291-M295 WeakPolarHBondContact O-CG 3.49Å; F291-M295 PolarHBondContact O-N 3.31Å; F291-L467 HydrophobicContact CB-CD2 3.98Å; F291-L467 HydrophobicContact CD1-CD2 3.85Å; F291-L467 HydrophobicContact CD2-CD2 4.26Å; F291-L467 HydrophobicContact CE1-CD2 4.46Å; F291-L467 HydrophobicContact CG-CD2 3.74Å; F291-M470 HydrophobicContact CD2-CB 4.42Å; F291-M470 HydrophobicContact CD2-CG 4.24Å; F291-M470 HydrophobicContact CE2-CB 4.43Å; F291-M470 HydrophobicContact CE2-CG 3.83Å; F291-T471 VanDerWaalsContact CA-OG1 3.28Å; F291-T471 WeakPolarHBondContact CA-OG1 3.38Å; F291-T471 WeakPolarHBondContact CB-OG1 3.24Å; F291-L474 HydrophobicContact CD2-CD1 3.78Å; F291-L474 HydrophobicContact CE2-CD1 3.71Å
292	I	98.5	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-41.8	176.4	-65.1	-64.4	0	0	0	110.9	F98 W288 N289 M295 L296 L392 K396	F98-I292 HydrophobicContact CE2-CD1 4.47Å; F98-I292 HydrophobicContact CZ-CD1 3.81Å; W288-I292 HydrophobicContact CZ2-CD1 4.08Å; W288-I292 VanDerWaalsContact O-CG1 3.28Å; W288-I292 WeakPolarHBondContact O-CG1 3.39Å; W288-I292 PolarHBondContact O-N 3.4Å; N289-I292 PolarHBondContact O-N 3.22Å; I292-M295 WeakPolarHBondContact O-CB 3.45Å; I292-M295 PolarHBondContact O-N 3.28Å; I292-L296 HydrophobicContact CG2-CD1 4.14Å; I292-L296 HydrophobicContact CG2-CG 4.45Å; I292-L296 VanDerWaalsContact O-CG 3.31Å; I292-L296 WeakPolarHBondContact O-CG 3.47Å; I292-L296 PolarHBondContact O-N 3.03Å; I292-L392 HydrophobicContact CD1-CD2 3.81Å; I292-L392 HydrophobicContact CG2-CB 4.27Å; I292-L392 WeakPolarHBondContact CG2-O 3.23Å; I292-K396 HydrophobicContact CB-CG 4.29Å; I292-K396 HydrophobicContact CG2-CD 4.16Å; I292-K396 HydrophobicContact CG2-CG 3.64Å
293	D	98.3	Very high	96.7	Very high	60 Å²	60	30.7 Å²	30.7	32%	0.321	16%	0.157	S	C	.	.	H	α-helix	trans	-64.4	-41.3	177.5	-73.1	-28.5	0	0	0	111.8	N289 L290 F291 L296 L297 K396	N289-D293 WeakPolarHBondContact O-CB 3.41Å; N289-D293 VanDerWaalsContact O-CG 3.3Å; N289-D293 PolarHBondContact O-N 3.13Å; L290-D293 PolarHBondContact O-N 2.79Å; F291-D293 VanDerWaalsContact C-N 3.31Å; F291-D293 PolarHBondContact O-N 2.62Å; D293-L296 PolarHBondContact O-N 2.88Å; D293-L297 WeakPolarHBondContact O-CG 3.44Å; D293-L297 PolarHBondContact O-N 3.42Å; D293-L297 VanDerWaalsContact O-N 3.08Å; D293-K396 IonicContact OD1-NZ 3.71Å; D293-K396 PolarHBondContact OD1-NZ 3.26Å; D293-K396 IonicContact OD2-NZ 3.65Å; D293-K396 PolarHBondContact OD2-NZ 3.37Å
294	A	98.2	Very high	96.4	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-38.3	174.1	0	0	0	0	0	112.6	L290 F291 L296 L297 V298 T471 L474 K475	L290-A294 WeakPolarHBondContact O-CB 3.49Å; L290-A294 PolarHBondContact O-N 2.7Å; F291-A294 PolarHBondContact O-N 3.43Å; A294-L296 VanDerWaalsContact C-N 3.35Å; A294-L297 PolarHBondContact O-N 3.46Å; A294-V298 PolarHBondContact O-N 3.4Å; A294-V298 VanDerWaalsContact O-N 3.16Å; A294-T471 HydrophobicContact CB-CG2 4Å; A294-L474 HydrophobicContact CB-CB 3.74Å; A294-L474 HydrophobicContact CB-CD1 4.03Å; A294-K475 HydrophobicContact CB-CG 4.46Å
295	M	98.3	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-43.6	173	-76.3	-67.7	-71.5	0	0	111.9	F221 L225 F291 I292 L297 V298 A299 L392 L474	F221-M295 HydrophobicContact CD2-CE 3.56Å; F221-M295 HydrophobicContact CD2-SD 4.07Å; F221-M295 HydrophobicContact CE2-CE 3.46Å; F221-M295 VanDerWaalsContact CE2-CE 3.46Å; F221-M295 HydrophobicContact CE2-SD 4.35Å; F221-M295 HydrophobicContact CG-CE 4.23Å; F221-M295 HydrophobicContact CZ-CE 4.07Å; F221-M295 WeakPolarHBondContact O-CE 3.33Å; L225-M295 HydrophobicContact CD2-CE 3.68Å; L225-M295 HydrophobicContact CG-CE 3.68Å; F291-M295 HydrophobicContact CD2-CG 4.27Å; F291-M295 HydrophobicContact CE1-CG 4.06Å; F291-M295 HydrophobicContact CE2-CG 3.72Å; F291-M295 HydrophobicContact CE2-SD 4.07Å; F291-M295 HydrophobicContact CZ-CG 3.58Å; F291-M295 HydrophobicContact CZ-SD 4.05Å; F291-M295 WeakPolarHBondContact O-CG 3.49Å; F291-M295 PolarHBondContact O-N 3.31Å; I292-M295 WeakPolarHBondContact O-CB 3.45Å; I292-M295 PolarHBondContact O-N 3.28Å; M295-L297 VanDerWaalsContact C-N 3.34Å; M295-L297 PolarHBondContact O-N 3.26Å; M295-V298 PolarHBondContact O-N 3.48Å; M295-A299 WeakPolarHBondContact O-CB 3.49Å; M295-A299 PolarHBondContact O-N 2.91Å; M295-L392 HydrophobicContact CB-CD1 3.94Å; M295-L392 HydrophobicContact CE-CD1 4.41Å; M295-L474 HydrophobicContact CG-CD1 3.71Å; M295-L474 HydrophobicContact CG-CD2 4.5Å; M295-L474 HydrophobicContact SD-CD1 3.61Å; M295-L474 HydrophobicContact SD-CD2 3.55Å; M295-L474 VanDerWaalsContact SD-CD2 3.55Å; M295-L474 HydrophobicContact SD-CG 4.23Å
296	L	97.9	Very high	95.7	Very high	16 Å²	16	34.3 Å²	34.3	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-38.5	178.3	-71.2	171.3	0	0	0	112	I292 D293 A294 A299 E300 K389 L392 K393	I292-L296 HydrophobicContact CG2-CD1 4.14Å; I292-L296 HydrophobicContact CG2-CG 4.45Å; I292-L296 VanDerWaalsContact O-CG 3.31Å; I292-L296 WeakPolarHBondContact O-CG 3.47Å; I292-L296 PolarHBondContact O-N 3.03Å; D293-L296 PolarHBondContact O-N 2.88Å; A294-L296 VanDerWaalsContact C-N 3.35Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 2.95Å; L296-E300 WeakPolarHBondContact O-CG 3.5Å; L296-E300 PolarHBondContact O-N 3.33Å; L296-K389 HydrophobicContact CD2-CB 3.91Å; L296-K389 HydrophobicContact CD2-CG 3.94Å; L296-L392 HydrophobicContact CD2-CB 4.08Å; L296-L392 HydrophobicContact CD2-CD1 4.34Å; L296-K393 HydrophobicContact CD1-CG 4.02Å; L296-K393 HydrophobicContact CD2-CG 4.21Å
297	L	97.1	Very high	95.4	Very high	65 Å²	65	30.4 Å²	30.4	34%	0.34	16%	0.164	S	C	.	.	H	α-helix	trans	-63.1	-43.9	175.4	-71.4	173.6	0	0	0	112.5	D293 A294 M295 E300 R301 Y478	D293-L297 WeakPolarHBondContact O-CG 3.44Å; D293-L297 PolarHBondContact O-N 3.42Å; D293-L297 VanDerWaalsContact O-N 3.08Å; A294-L297 PolarHBondContact O-N 3.46Å; M295-L297 VanDerWaalsContact C-N 3.34Å; M295-L297 PolarHBondContact O-N 3.26Å; L297-E300 PolarHBondContact O-N 3.25Å; L297-R301 PolarHBondContact O-N 3.3Å; L297-Y478 HydrophobicContact CB-CD2 3.76Å; L297-Y478 HydrophobicContact CB-CE2 4.12Å; L297-Y478 HydrophobicContact CB-CG 4.36Å; L297-Y478 HydrophobicContact CD2-CE2 4.22Å
298	V	96.7	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.5	-38.5	176.6	177.4	0	0	0	0	110.8	A217 F221 A294 M295 E300 R301 L302 L474 A477	A217-V298 HydrophobicContact CB-CG1 4.24Å; A217-V298 WeakPolarHBondContact O-CG1 3.21Å; F221-V298 HydrophobicContact CB-CG1 4.02Å; F221-V298 HydrophobicContact CD2-CB 4.37Å; F221-V298 HydrophobicContact CD2-CG1 4.19Å; A294-V298 PolarHBondContact O-N 3.4Å; A294-V298 VanDerWaalsContact O-N 3.16Å; M295-V298 PolarHBondContact O-N 3.48Å; V298-E300 VanDerWaalsContact C-N 3.33Å; V298-E300 PolarHBondContact O-N 3.08Å; V298-R301 WeakPolarHBondContact O-CB 3.41Å; V298-R301 PolarHBondContact O-N 2.95Å; V298-L302 HydrophobicContact CG1-CD1 4.4Å; V298-L302 WeakPolarHBondContact O-CG 3.32Å; V298-L302 PolarHBondContact O-N 2.84Å; V298-L474 HydrophobicContact CB-CD2 4.29Å; V298-L474 HydrophobicContact CG2-CB 4.18Å; V298-L474 HydrophobicContact CG2-CD2 3.84Å; V298-L474 VanDerWaalsContact CG2-O 3.27Å; V298-L474 WeakPolarHBondContact CG2-O 3.21Å; V298-A477 HydrophobicContact CG2-CB 4.5Å
299	A	96.4	Very high	94.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-42.3	174.1	0	0	0	0	0	112.4	F221 M295 L296 R301 L302 E303 V385 K389	F221-A299 HydrophobicContact CE2-CB 3.81Å; F221-A299 HydrophobicContact CZ-CB 4.18Å; M295-A299 WeakPolarHBondContact O-CB 3.49Å; M295-A299 PolarHBondContact O-N 2.91Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 2.95Å; A299-R301 VanDerWaalsContact C-N 3.28Å; A299-R301 PolarHBondContact O-N 2.88Å; A299-L302 PolarHBondContact O-N 3.18Å; A299-E303 PolarHBondContact O-N 2.86Å; A299-V385 HydrophobicContact CB-CG1 3.65Å; A299-V385 WeakPolarHBondContact O-CG1 3.42Å; A299-K389 HydrophobicContact CB-CD 3.8Å; A299-K389 HydrophobicContact CB-CG 3.56Å
300	E	95	Very high	94.3	Very high	102 Å²	102	31.9 Å²	31.9	48%	0.477	18%	0.178	S	C	.	.	H	α-helix	trans	-62.4	-33.7	174	-73.2	173.2	-174.5	0	0	112.9	L296 L297 V298 G304	L296-E300 WeakPolarHBondContact O-CG 3.5Å; L296-E300 PolarHBondContact O-N 3.33Å; L297-E300 PolarHBondContact O-N 3.25Å; V298-E300 VanDerWaalsContact C-N 3.33Å; V298-E300 PolarHBondContact O-N 3.08Å; E300-G304 PolarHBondContact O-N 3.5Å; E300-G304 VanDerWaalsContact O-N 3.16Å
301	R	93.8	Very high	94	Very high	69 Å²	69	28.5 Å²	28.5	26%	0.26	16%	0.16	S	C	.	.	H	α-helix	trans	-69	-38.2	174	-67.2	-69.2	-177.9	164.9	-4	112.2	L297 V298 A299 G304 F306 Y478	L297-R301 PolarHBondContact O-N 3.3Å; V298-R301 WeakPolarHBondContact O-CB 3.41Å; V298-R301 PolarHBondContact O-N 2.95Å; A299-R301 VanDerWaalsContact C-N 3.28Å; A299-R301 PolarHBondContact O-N 2.88Å; R301-G304 CarbonylContact O-C 3.44Å; R301-G304 VanDerWaalsContact O-C 3.32Å; R301-G304 PolarHBondContact O-N 3.2Å; R301-G304 VanDerWaalsContact O-N 3.16Å; R301-F306 HydrophobicContact CB-CB 4.31Å; R301-F306 HydrophobicContact CB-CD2 3.69Å; R301-F306 HydrophobicContact CB-CE2 4.31Å; R301-F306 HydrophobicContact CB-CG 4.19Å; R301-F306 HydrophobicContact CG-CD2 4.17Å; R301-F306 HydrophobicContact CG-CE2 4.29Å; R301-F306 CarbonylContact O-C 3.57Å; R301-F306 WeakPolarHBondContact O-CA 3.46Å; R301-F306 WeakPolarHBondContact O-CB 3.48Å; R301-F306 PolarHBondContact O-N 3.06Å; R301-Y478 HydrophobicContact CG-CD2 3.51Å; R301-Y478 HydrophobicContact CG-CE2 3.82Å; R301-Y478 HydrophobicContact CG-CG 4.47Å; R301-Y478 PolarHBondContact NH2-OH 2.87Å
302	L	94	Very high	93.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.6	-31.8	176.9	-68	173	0	0	0	112.9	F105 A217 A218 F221 V298 A299 G304 N307 L381 V385	F105-L302 HydrophobicContact CE2-CD1 4.19Å; F105-L302 HydrophobicContact CZ-CD1 4Å; A217-L302 HydrophobicContact CB-CD2 3.69Å; A217-L302 HydrophobicContact CB-CG 4.31Å; A218-L302 HydrophobicContact CB-CD2 4.19Å; F221-L302 HydrophobicContact CB-CD1 3.87Å; F221-L302 HydrophobicContact CD1-CD1 3.91Å; F221-L302 HydrophobicContact CD2-CD1 4.3Å; F221-L302 HydrophobicContact CG-CD1 3.78Å; V298-L302 HydrophobicContact CG1-CD1 4.4Å; V298-L302 WeakPolarHBondContact O-CG 3.32Å; V298-L302 PolarHBondContact O-N 2.84Å; A299-L302 PolarHBondContact O-N 3.18Å; L302-G304 VanDerWaalsContact C-N 3.29Å; L302-N307 WeakPolarHBondContact O-CA 3.48Å; L302-N307 WeakPolarHBondContact O-CB 3.46Å; L302-L381 WeakPolarHBondContact O-CD2 3.37Å; L302-V385 HydrophobicContact CB-CG2 4.4Å
303	E	90.6	Very high	93.3	Very high	49 Å²	49	31.1 Å²	31.1	23%	0.229	17%	0.174	C	C	.	.	H	α-helix	trans	-77.2	-17.8	171	-71.4	172.6	162.9	0	0	112.5	A299 V385 T386 K389	A299-E303 PolarHBondContact O-N 2.86Å; E303-V385 HydrophobicContact CG-CB 3.87Å; E303-V385 HydrophobicContact CG-CG1 3.63Å; E303-T386 WeakPolarHBondContact OE1-CA 3.21Å; E303-T386 PolarHBondContact OE1-N 3.47Å; E303-T386 VanDerWaalsContact OE1-N 3.13Å; E303-T386 PolarHBondContact OE1-OG1 3.17Å; E303-K389 WeakPolarHBondContact OE1-CD 3.44Å; E303-K389 IonicContact OE1-NZ 2.7Å; E303-K389 IonicContact OE2-NZ 3Å; E303-K389 PolarHBondContact OE2-NZ 3.44Å
304	G	87.9	Confident	92.9	Very high	36 Å²	36	29.1 Å²	29.1	37%	0.371	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-118	-174.9	0	0	0	0	0	113.1	E300 R301 L302 F306 N307	E300-G304 PolarHBondContact O-N 3.5Å; E300-G304 VanDerWaalsContact O-N 3.16Å; R301-G304 CarbonylContact O-C 3.44Å; R301-G304 VanDerWaalsContact O-C 3.32Å; R301-G304 PolarHBondContact O-N 3.2Å; R301-G304 VanDerWaalsContact O-N 3.16Å; L302-G304 VanDerWaalsContact C-N 3.29Å; G304-F306 VanDerWaalsContact C-N 3.27Å; G304-F306 PolarHBondContact O-N 2.96Å; G304-N307 WeakPolarHBondContact O-CB 3.49Å; G304-N307 PolarHBondContact O-N 2.8Å
305	P	88.3	Confident	92.7	Very high	87 Å²	87	29.1 Å²	29.1	57%	0.565	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.5	-167.4	28	-36.8	0	0	0	114.8
306	F	91.2	Very high	92.5	Very high	12 Å²	12	29.4 Å²	29.4	5%	0.053	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	23.8	-178.1	-56.1	-13.4	0	0	0	111.2	R213 A217 R301 G304 I308	R213-F306 HydrophobicContact CB-CD1 3.73Å; R213-F306 HydrophobicContact CB-CD2 4.36Å; R213-F306 HydrophobicContact CB-CE1 3.81Å; R213-F306 HydrophobicContact CB-CE2 4.38Å; R213-F306 HydrophobicContact CB-CG 4.07Å; R213-F306 HydrophobicContact CB-CZ 4.12Å; R213-F306 HydrophobicContact CG-CE1 4.11Å; R213-F306 HydrophobicContact CG-CZ 4.22Å; A217-F306 HydrophobicContact CB-CB 4.15Å; A217-F306 HydrophobicContact CB-CD2 3.97Å; R301-F306 HydrophobicContact CB-CB 4.31Å; R301-F306 HydrophobicContact CB-CD2 3.69Å; R301-F306 HydrophobicContact CB-CE2 4.31Å; R301-F306 HydrophobicContact CB-CG 4.19Å; R301-F306 HydrophobicContact CG-CD2 4.17Å; R301-F306 HydrophobicContact CG-CE2 4.29Å; R301-F306 CarbonylContact O-C 3.57Å; R301-F306 WeakPolarHBondContact O-CA 3.46Å; R301-F306 WeakPolarHBondContact O-CB 3.48Å; R301-F306 PolarHBondContact O-N 3.06Å; G304-F306 VanDerWaalsContact C-N 3.27Å; G304-F306 PolarHBondContact O-N 2.96Å; F306-I308 PolarHBondContact O-N 2.69Å; F306-I308 VanDerWaalsContact O-N 3.15Å
307	N	90.5	Very high	92.2	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.08	17%	0.173	C	C	.	.			trans	-61.6	113.7	177.3	-178.9	-48.7	0	0	0	110.8	L302 G304 E309 S310 D382	L302-N307 WeakPolarHBondContact O-CA 3.48Å; L302-N307 WeakPolarHBondContact O-CB 3.46Å; G304-N307 WeakPolarHBondContact O-CB 3.49Å; G304-N307 PolarHBondContact O-N 2.8Å; N307-E309 WeakPolarHBondContact OD1-CB 3.43Å; N307-E309 PolarHBondContact OD1-N 3.34Å; N307-S310 PolarHBondContact O-N 3.21Å; N307-S310 PolarHBondContact O-OG 3.05Å; N307-S310 PolarHBondContact OD1-N 3.46Å; N307-D382 PolarHBondContact ND2-OD1 3.34Å
308	I	91.8	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.7	-34.6	-174.7	-174.3	69.2	0	0	0	112.8	F109 L112 A214 F215 F306 S310 V311 M312 L381	F109-I308 HydrophobicContact CD2-CG1 4.44Å; F109-I308 HydrophobicContact CD2-CG2 4.15Å; F109-I308 HydrophobicContact CE2-CB 4.1Å; F109-I308 HydrophobicContact CE2-CD1 4.22Å; F109-I308 HydrophobicContact CE2-CG1 3.6Å; F109-I308 HydrophobicContact CE2-CG2 3.95Å; F109-I308 HydrophobicContact CZ-CD1 4.26Å; F109-I308 HydrophobicContact CZ-CG1 4.03Å; L112-I308 HydrophobicContact CD2-CB 4.22Å; L112-I308 HydrophobicContact CD2-CG1 3.77Å; L112-I308 HydrophobicContact CD2-CG2 3.67Å; A214-I308 HydrophobicContact CB-CB 4.32Å; A214-I308 HydrophobicContact CB-CD1 3.63Å; F215-I308 HydrophobicContact CD2-CD1 3.72Å; F215-I308 HydrophobicContact CE2-CD1 3.66Å; F215-I308 HydrophobicContact CZ-CD1 4.43Å; F306-I308 PolarHBondContact O-N 2.69Å; F306-I308 VanDerWaalsContact O-N 3.15Å; I308-S310 VanDerWaalsContact C-N 3.28Å; I308-S310 PolarHBondContact O-N 3.11Å; I308-V311 PolarHBondContact O-N 3.34Å; I308-M312 HydrophobicContact CD1-CE 4.29Å; I308-M312 HydrophobicContact CD1-CG 3.54Å; I308-M312 HydrophobicContact CD1-SD 4.32Å; I308-M312 HydrophobicContact CG1-CG 3.66Å; I308-M312 WeakPolarHBondContact O-CB 3.36Å; I308-M312 PolarHBondContact O-N 3.32Å; I308-L381 HydrophobicContact CG2-CD1 4.33Å; I308-L381 HydrophobicContact CG2-CD2 3.69Å
309	E	90	Very high	92.1	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.065	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-44	175.3	-70.9	179.9	123.8	0	0	110	F108 L112 N307 V311 M312 D313 L381	F108-E309 HydrophobicContact CE1-CG 4.31Å; F108-E309 HydrophobicContact CZ-CG 3.77Å; F108-E309 WeakPolarHBondContact CZ-OE1 3.36Å; L112-E309 HydrophobicContact CD1-CG 4.07Å; L112-E309 HydrophobicContact CD2-CG 4.11Å; N307-E309 WeakPolarHBondContact OD1-CB 3.43Å; N307-E309 PolarHBondContact OD1-N 3.34Å; E309-V311 PolarHBondContact O-N 3.24Å; E309-M312 PolarHBondContact O-N 2.81Å; E309-D313 VanDerWaalsContact O-CB 3.23Å; E309-D313 WeakPolarHBondContact O-CB 3.5Å; E309-D313 PolarHBondContact O-N 3.39Å; E309-L381 VanDerWaalsContact CD-N 3.27Å; E309-L381 HydrophobicContact CG-CB 3.89Å; E309-L381 PolarHBondContact OE1-N 3.48Å; E309-L381 WeakPolarHBondContact OE2-CA 3.17Å; E309-L381 WeakPolarHBondContact OE2-CB 3.42Å; E309-L381 PolarHBondContact OE2-N 2.7Å
310	S	89	Confident	92	Very high	67 Å²	67	29.5 Å²	29.5	47%	0.469	17%	0.166	S	C	.	.	H	α-helix	trans	-63.2	-17.9	178.5	81.1	0	0	0	0	114.5	N307 I308 P314	N307-S310 PolarHBondContact O-N 3.21Å; N307-S310 PolarHBondContact O-OG 3.05Å; N307-S310 PolarHBondContact OD1-N 3.46Å; I308-S310 VanDerWaalsContact C-N 3.28Å; I308-S310 PolarHBondContact O-N 3.11Å; S310-P314 WeakPolarHBondContact O-CD 3.25Å; S310-P314 VanDerWaalsContact O-CG 3.3Å; S310-P314 WeakPolarHBondContact O-CG 3.4Å
311	V	92.1	Very high	92	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-97.8	-45.8	177.9	-172.6	0	0	0	0	111.3	Q210 V211 A214 I308 E309	Q210-V311 HydrophobicContact CB-CG1 3.92Å; Q210-V311 HydrophobicContact CB-CG2 3.94Å; V211-V311 HydrophobicContact CB-CG1 4.49Å; V211-V311 HydrophobicContact CG2-CG1 3.62Å; A214-V311 HydrophobicContact CB-CG2 4.12Å; I308-V311 PolarHBondContact O-N 3.34Å; E309-V311 PolarHBondContact O-N 3.24Å
312	M	93.3	Very high	92.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-80.9	-40.3	-174.6	-66.5	-62.1	96.2	0	0	113.3	L112 L113 A116 V211 F215 I308 E309 I315	L112-M312 HydrophobicContact CD1-CB 4.38Å; L112-M312 HydrophobicContact CD2-CB 4.21Å; L112-M312 HydrophobicContact CD2-CG 4.33Å; L112-M312 HydrophobicContact CG-CB 4.09Å; L113-M312 HydrophobicContact CD2-CG 4.17Å; L113-M312 HydrophobicContact CD2-SD 3.78Å; A116-M312 HydrophobicContact CB-CB 4.24Å; V211-M312 HydrophobicContact CG2-CE 3.83Å; F215-M312 HydrophobicContact CE2-CE 3.75Å; F215-M312 HydrophobicContact CE2-SD 3.72Å; F215-M312 HydrophobicContact CZ-SD 3.97Å; I308-M312 HydrophobicContact CD1-CE 4.29Å; I308-M312 HydrophobicContact CD1-CG 3.54Å; I308-M312 HydrophobicContact CD1-SD 4.32Å; I308-M312 HydrophobicContact CG1-CG 3.66Å; I308-M312 WeakPolarHBondContact O-CB 3.36Å; I308-M312 PolarHBondContact O-N 3.32Å; E309-M312 PolarHBondContact O-N 2.81Å; M312-I315 HydrophobicContact CE-CD1 3.82Å; M312-I315 VanDerWaalsContact O-CB 3.3Å; M312-I315 WeakPolarHBondContact O-CB 3.37Å; M312-I315 WeakPolarHBondContact O-CG2 3.4Å; M312-I315 PolarHBondContact O-N 3.17Å; M312-I315 VanDerWaalsContact O-N 3.11Å; M312-I315 HydrophobicContact SD-CD1 4.22Å
313	D	87.9	Confident	92.1	Very high	55 Å²	55	25.9 Å²	25.9	29%	0.294	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-43	-178.8	-69.8	-13.1	0	0	0	112.9	L112 E309	L112-D313 WeakPolarHBondContact CD1-OD1 3.47Å; E309-D313 VanDerWaalsContact O-CB 3.23Å; E309-D313 WeakPolarHBondContact O-CB 3.5Å; E309-D313 PolarHBondContact O-N 3.39Å
314	P	91.2	Very high	92.2	Very high	19 Å²	19	27.3 Å²	27.3	12%	0.123	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	18.4	176.9	38.7	-37.9	0	0	0	113.4	S310 D316 V317 K318	S310-P314 WeakPolarHBondContact O-CD 3.25Å; S310-P314 VanDerWaalsContact O-CG 3.3Å; S310-P314 WeakPolarHBondContact O-CG 3.4Å; P314-D316 VanDerWaalsContact C-N 3.29Å; P314-D316 PolarHBondContact O-N 3.47Å; P314-V317 PolarHBondContact O-N 2.89Å; P314-K318 WeakPolarHBondContact O-CG 3.48Å; P314-K318 PolarHBondContact O-N 3.18Å
315	I	93.9	Very high	92.5	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-38	-174.7	-162.9	175	0	0	0	111.9	A116 F143 L207 M312 K318 I319	A116-I315 HydrophobicContact CB-CG2 4.19Å; F143-I315 HydrophobicContact CZ-CG2 3.99Å; L207-I315 HydrophobicContact CD1-CG1 4.35Å; M312-I315 HydrophobicContact CE-CD1 3.82Å; M312-I315 VanDerWaalsContact O-CB 3.3Å; M312-I315 WeakPolarHBondContact O-CB 3.37Å; M312-I315 WeakPolarHBondContact O-CG2 3.4Å; M312-I315 PolarHBondContact O-N 3.17Å; M312-I315 VanDerWaalsContact O-N 3.11Å; M312-I315 HydrophobicContact SD-CD1 4.22Å; I315-K318 PolarHBondContact O-N 3.49Å; I315-I319 HydrophobicContact CD1-CD1 4.43Å; I315-I319 HydrophobicContact CG1-CD1 3.95Å; I315-I319 HydrophobicContact CG1-CG1 4.44Å; I315-I319 WeakPolarHBondContact O-CB 3.5Å; I315-I319 VanDerWaalsContact O-CG1 3.28Å; I315-I319 WeakPolarHBondContact O-CG1 3.43Å; I315-I319 PolarHBondContact O-N 3.24Å
316	D	92.9	Very high	92.7	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.027	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-47.5	175.4	53.1	1	0	0	0	112.1	S119 L120 M123 F124 P314 I319 S320	S119-D316 WeakPolarHBondContact CB-OD2 3.26Å; S119-D316 PolarHBondContact OG-OD2 3.33Å; L120-D316 HydrophobicContact CB-CB 3.83Å; L120-D316 HydrophobicContact CD1-CB 4.3Å; L120-D316 HydrophobicContact CG-CB 4.09Å; M123-D316 HydrophobicContact SD-CB 3.88Å; F124-D316 HydrophobicContact CE1-CB 4.28Å; F124-D316 VanDerWaalsContact CE1-O 3.32Å; F124-D316 WeakPolarHBondContact CE1-O 3.44Å; P314-D316 VanDerWaalsContact C-N 3.29Å; P314-D316 PolarHBondContact O-N 3.47Å; D316-I319 PolarHBondContact O-N 3.39Å; D316-S320 WeakPolarHBondContact O-CB 3.28Å; D316-S320 PolarHBondContact O-N 3.26Å
317	V	93.4	Very high	92.6	Very high	39 Å²	39	24.6 Å²	24.6	24%	0.236	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-44.2	176.4	-179.5	0	0	0	0	111	M123 P314 S320 E321 Y367	M123-V317 HydrophobicContact CE-CG2 4.35Å; M123-V317 HydrophobicContact SD-CG2 4.33Å; P314-V317 PolarHBondContact O-N 2.89Å; V317-S320 PolarHBondContact O-N 3.44Å; V317-E321 WeakPolarHBondContact O-CB 3.46Å; V317-E321 PolarHBondContact O-N 3.39Å; V317-Y367 HydrophobicContact CG1-CD1 4.48Å; V317-Y367 HydrophobicContact CG1-CE1 4.46Å; V317-Y367 HydrophobicContact CG2-CD1 4.15Å; V317-Y367 HydrophobicContact CG2-CE1 3.47Å; V317-Y367 VanDerWaalsContact CG2-CE1 3.47Å
318	K	94.7	Very high	92.6	Very high	39 Å²	39	30.9 Å²	30.9	17%	0.17	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-44.4	178.5	-71.9	175.5	-174	169.3	0	111.4	V203 L207 P314 I315 S320 E321 A322	V203-K318 HydrophobicContact CG1-CB 4.41Å; V203-K318 WeakPolarHBondContact CG1-O 3.43Å; L207-K318 HydrophobicContact CD1-CD 3.83Å; P314-K318 WeakPolarHBondContact O-CG 3.48Å; P314-K318 PolarHBondContact O-N 3.18Å; I315-K318 PolarHBondContact O-N 3.49Å; K318-S320 VanDerWaalsContact C-N 3.33Å; K318-E321 WeakPolarHBondContact O-CB 3.45Å; K318-E321 PolarHBondContact O-N 3.44Å; K318-A322 PolarHBondContact O-N 3.44Å
319	I	95.7	Very high	92.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-38.8	176.8	-68.4	172.1	0	0	0	110.5	L120 F124 F139 L142 F164 W165 L207 I315 D316 A322 I323	L120-I319 HydrophobicContact CD1-CD1 3.74Å; F124-I319 HydrophobicContact CE2-CG2 3.8Å; F124-I319 HydrophobicContact CZ-CB 4Å; F124-I319 HydrophobicContact CZ-CG2 3.66Å; F139-I319 HydrophobicContact CD1-CG2 4.3Å; F139-I319 HydrophobicContact CE1-CG2 3.64Å; L142-I319 HydrophobicContact CD2-CD1 4.02Å; F164-I319 HydrophobicContact CE1-CD1 4.47Å; F164-I319 HydrophobicContact CZ-CD1 4.14Å; F164-I319 HydrophobicContact CZ-CG2 4.35Å; W165-I319 HydrophobicContact CH2-CG1 4.49Å; L207-I319 HydrophobicContact CD2-CG1 4.41Å; I315-I319 HydrophobicContact CD1-CD1 4.43Å; I315-I319 HydrophobicContact CG1-CD1 3.95Å; I315-I319 HydrophobicContact CG1-CG1 4.44Å; I315-I319 WeakPolarHBondContact O-CB 3.5Å; I315-I319 VanDerWaalsContact O-CG1 3.28Å; I315-I319 WeakPolarHBondContact O-CG1 3.43Å; I315-I319 PolarHBondContact O-N 3.24Å; D316-I319 PolarHBondContact O-N 3.39Å; I319-A322 WeakPolarHBondContact O-CB 3.49Å; I319-A322 PolarHBondContact O-N 3.39Å; I319-I323 HydrophobicContact CG2-CD1 4.25Å; I319-I323 WeakPolarHBondContact O-CG1 3.47Å; I319-I323 PolarHBondContact O-N 3.13Å
320	S	94.8	Very high	92.5	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-62.6	-41.3	174	-175.7	0	0	0	0	112.2	Y128 D316 V317 K318 A322 I323 M324	Y128-S320 PolarHBondContact OH-OG 2.99Å; D316-S320 WeakPolarHBondContact O-CB 3.28Å; D316-S320 PolarHBondContact O-N 3.26Å; V317-S320 PolarHBondContact O-N 3.44Å; K318-S320 VanDerWaalsContact C-N 3.33Å; S320-A322 PolarHBondContact O-N 3.25Å; S320-I323 PolarHBondContact O-N 2.98Å; S320-M324 WeakPolarHBondContact O-CG 3.38Å; S320-M324 PolarHBondContact O-N 3.5Å
321	E	94.9	Very high	92.6	Very high	81 Å²	81	37.9 Å²	37.9	38%	0.379	19%	0.192	S	C	.	.	H	α-helix	trans	-58	-44.5	172.4	-176.1	-172.7	166.1	0	0	111.9	V203 V317 K318 I323 M324 N325	V203-E321 HydrophobicContact CG2-CG 4.13Å; V317-E321 WeakPolarHBondContact O-CB 3.46Å; V317-E321 PolarHBondContact O-N 3.39Å; K318-E321 WeakPolarHBondContact O-CB 3.45Å; K318-E321 PolarHBondContact O-N 3.44Å; E321-I323 PolarHBondContact O-N 2.69Å; E321-M324 HydrophobicContact CB-CE 4.39Å; E321-M324 PolarHBondContact O-N 3.33Å; E321-N325 VanDerWaalsContact O-CG 3.28Å; E321-N325 PolarHBondContact O-N 3.39Å; E321-N325 PolarHBondContact O-ND2 2.92Å
322	A	95.8	Very high	92.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-46.8	174.8	0	0	0	0	0	111.7	W165 F200 V203 K318 I319 S320 M324 N325 M326	W165-A322 HydrophobicContact CH2-CB 3.68Å; W165-A322 HydrophobicContact CZ3-CB 3.56Å; F200-A322 HydrophobicContact CB-CB 4.01Å; F200-A322 HydrophobicContact CD1-CB 4.11Å; F200-A322 WeakPolarHBondContact CD1-O 3.21Å; F200-A322 HydrophobicContact CG-CB 4.33Å; V203-A322 HydrophobicContact CB-CB 4.01Å; V203-A322 HydrophobicContact CG1-CB 3.95Å; V203-A322 HydrophobicContact CG2-CB 4.39Å; K318-A322 PolarHBondContact O-N 3.44Å; I319-A322 WeakPolarHBondContact O-CB 3.49Å; I319-A322 PolarHBondContact O-N 3.39Å; S320-A322 PolarHBondContact O-N 3.25Å; A322-M324 VanDerWaalsContact C-N 3.34Å; A322-M324 PolarHBondContact O-N 2.97Å; A322-N325 WeakPolarHBondContact O-CB 3.35Å; A322-N325 PolarHBondContact O-N 2.97Å; A322-M326 PolarHBondContact O-N 2.91Å
323	I	94	Very high	92.4	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-44.4	177.3	-67.8	169.6	0	0	0	110.5	F124 Y128 F139 L168 M172 I319 S320 E321 M326 Q327	F124-I323 HydrophobicContact CE2-CD1 3.85Å; F124-I323 HydrophobicContact CZ-CD1 4.32Å; Y128-I323 HydrophobicContact CE1-CG2 3.79Å; Y128-I323 HydrophobicContact CE2-CD1 4.19Å; F139-I323 HydrophobicContact CZ-CD1 4.3Å; L168-I323 HydrophobicContact CD2-CG1 4.39Å; M172-I323 HydrophobicContact CE-CB 4.24Å; M172-I323 HydrophobicContact CE-CG2 3.67Å; M172-I323 WeakPolarHBondContact CE-O 3.47Å; M172-I323 HydrophobicContact SD-CB 4.22Å; M172-I323 HydrophobicContact SD-CG1 3.91Å; M172-I323 HydrophobicContact SD-CG2 4.11Å; I319-I323 HydrophobicContact CG2-CD1 4.25Å; I319-I323 WeakPolarHBondContact O-CG1 3.47Å; I319-I323 PolarHBondContact O-N 3.13Å; S320-I323 PolarHBondContact O-N 2.98Å; E321-I323 PolarHBondContact O-N 2.69Å; I323-M326 PolarHBondContact O-N 2.94Å; I323-Q327 WeakPolarHBondContact O-CG 3.22Å; I323-Q327 PolarHBondContact O-N 3.32Å
324	M	92.2	Very high	92.7	Very high	80 Å²	80	41.6 Å²	41.6	39%	0.394	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-45.4	176.2	-70.2	-170.9	-60.3	0	0	111.7	S320 E321 A322 M326 Q327 E328	S320-M324 WeakPolarHBondContact O-CG 3.38Å; S320-M324 PolarHBondContact O-N 3.5Å; E321-M324 HydrophobicContact CB-CE 4.39Å; E321-M324 PolarHBondContact O-N 3.33Å; A322-M324 VanDerWaalsContact C-N 3.34Å; A322-M324 PolarHBondContact O-N 2.97Å; M324-M326 VanDerWaalsContact C-N 3.31Å; M324-M326 PolarHBondContact O-N 3.37Å; M324-Q327 WeakPolarHBondContact O-CB 3.35Å; M324-Q327 PolarHBondContact O-N 2.99Å; M324-Q327 VanDerWaalsContact O-N 3.09Å; M324-E328 WeakPolarHBondContact O-CG 3.32Å; M324-E328 PolarHBondContact O-N 3.23Å
325	N	94.2	Very high	92.7	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.193	22%	0.221	C	C	.	.	H	α-helix	trans	-57.2	-43.6	176.3	-70.5	-25.4	0	0	0	111.8	P199 F200 E321 A322 Q327 E328 N329	P199-N325 CarbonylContact O-C 3.32Å; F200-N325 PolarHBondContact O-ND2 2.97Å; F200-N325 VanDerWaalsContact O-ND2 3.11Å; E321-N325 VanDerWaalsContact O-CG 3.28Å; E321-N325 PolarHBondContact O-N 3.39Å; E321-N325 PolarHBondContact O-ND2 2.92Å; A322-N325 WeakPolarHBondContact O-CB 3.35Å; A322-N325 PolarHBondContact O-N 2.97Å; N325-Q327 VanDerWaalsContact C-N 3.33Å; N325-Q327 PolarHBondContact O-N 2.61Å; N325-E328 PolarHBondContact O-N 2.93Å; N325-N329 VanDerWaalsContact O-CB 3.31Å; N325-N329 WeakPolarHBondContact O-CB 3.23Å; N325-N329 VanDerWaalsContact O-CG 3.25Å; N325-N329 PolarHBondContact O-N 3.05Å; N325-N329 PolarHBondContact O-ND2 3.08Å
326	M	93	Very high	92.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-34.3	177.5	173.7	57.6	-179.3	0	0	112.3	L169 M172 F173 I176 P199 F200 A322 I323 M324 S330 V333	L169-M326 HydrophobicContact CD1-CE 3.72Å; L169-M326 HydrophobicContact CD1-SD 4.13Å; M172-M326 HydrophobicContact CB-CG 4.26Å; M172-M326 HydrophobicContact CE-CB 3.67Å; M172-M326 HydrophobicContact CE-CG 3.5Å; M172-M326 HydrophobicContact SD-CB 4.12Å; M172-M326 HydrophobicContact SD-CG 3.95Å; F173-M326 HydrophobicContact CD2-CE 4.39Å; I176-M326 HydrophobicContact CD1-CE 3.85Å; I176-M326 HydrophobicContact CD1-CG 4.15Å; P199-M326 HydrophobicContact CB-CE 4.49Å; P199-M326 HydrophobicContact CB-CG 4.44Å; P199-M326 HydrophobicContact CB-SD 3.32Å; P199-M326 WeakPolarHBondContact CB-SD 3.34Å; P199-M326 WeakPolarHBondContact O-CA 3.45Å; P199-M326 PolarHBondContact O-N 2.81Å; F200-M326 HydrophobicContact CD1-CB 3.71Å; F200-M326 HydrophobicContact CD1-CG 4.44Å; F200-M326 HydrophobicContact CE1-CB 3.76Å; F200-M326 HydrophobicContact CE1-CG 4.06Å; A322-M326 PolarHBondContact O-N 2.91Å; I323-M326 PolarHBondContact O-N 2.94Å; M324-M326 VanDerWaalsContact C-N 3.31Å; M324-M326 PolarHBondContact O-N 3.37Å; M326-S330 WeakPolarHBondContact O-CA 3.47Å; M326-S330 PolarHBondContact O-N 3.26Å; M326-V333 HydrophobicContact CE-CG1 3.99Å; M326-V333 HydrophobicContact SD-CB 4.49Å; M326-V333 HydrophobicContact SD-CG1 4.32Å; M326-V333 HydrophobicContact SD-CG2 4.17Å
327	Q	90.1	Very high	92.5	Very high	42 Å²	42	47.2 Å²	47.2	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-43.2	174.1	-72.1	174.3	-23	0	0	111.9	M172 I323 M324 N325 N329 S330 F364	M172-Q327 HydrophobicContact CE-CG 4.09Å; I323-Q327 WeakPolarHBondContact O-CG 3.22Å; I323-Q327 PolarHBondContact O-N 3.32Å; M324-Q327 WeakPolarHBondContact O-CB 3.35Å; M324-Q327 PolarHBondContact O-N 2.99Å; M324-Q327 VanDerWaalsContact O-N 3.09Å; N325-Q327 VanDerWaalsContact C-N 3.33Å; N325-Q327 PolarHBondContact O-N 2.61Å; Q327-N329 VanDerWaalsContact C-N 3.34Å; Q327-S330 WeakPolarHBondContact O-CB 3.25Å; Q327-S330 PolarHBondContact O-N 3.39Å; Q327-S330 PolarHBondContact O-OG 3.36Å; Q327-F364 VanDerWaalsContact NE2-CZ 3.34Å
328	E	90.8	Very high	92.5	Very high	147 Å²	147	46.9 Å²	46.9	69%	0.687	24%	0.235	S	C	*	.	H	α-helix	trans	-65.8	-37.4	176.5	-68.9	-178.3	174.7	0	0	112.1	M324 N325 S330	M324-E328 WeakPolarHBondContact O-CG 3.32Å; M324-E328 PolarHBondContact O-N 3.23Å; N325-E328 PolarHBondContact O-N 2.93Å; E328-S330 VanDerWaalsContact C-N 3.32Å
329	N	89.4	Confident	92.4	Very high	48 Å²	48	52.8 Å²	52.8	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-84.3	-3.7	178.6	-66.4	-37.5	0	0	0	114	P199 N325 Q327 M331 Q332 V333	P199-N329 PolarHBondContact O-ND2 3.24Å; N325-N329 VanDerWaalsContact O-CB 3.31Å; N325-N329 WeakPolarHBondContact O-CB 3.23Å; N325-N329 VanDerWaalsContact O-CG 3.25Å; N325-N329 PolarHBondContact O-N 3.05Å; N325-N329 PolarHBondContact O-ND2 3.08Å; Q327-N329 VanDerWaalsContact C-N 3.34Å; N329-M331 VanDerWaalsContact C-N 3.33Å; N329-M331 PolarHBondContact O-N 3.12Å; N329-M331 VanDerWaalsContact O-N 3.16Å; N329-Q332 PolarHBondContact O-N 3.13Å; N329-V333 HydrophobicContact CB-CG2 4.05Å; N329-V333 WeakPolarHBondContact O-CG2 3.3Å; N329-V333 PolarHBondContact O-N 3.37Å
330	S	90.1	Very high	92.2	Very high	25 Å²	25	54.4 Å²	54.4	18%	0.175	28%	0.28	C	S	.	.	H	α-helix	trans	-48.8	-46.8	-169.9	55.7	0	0	0	0	114.5	M326 Q327 E328 S334	M326-S330 WeakPolarHBondContact O-CA 3.47Å; M326-S330 PolarHBondContact O-N 3.26Å; Q327-S330 WeakPolarHBondContact O-CB 3.25Å; Q327-S330 PolarHBondContact O-N 3.39Å; Q327-S330 PolarHBondContact O-OG 3.36Å; E328-S330 VanDerWaalsContact C-N 3.32Å; S330-S334 VanDerWaalsContact O-CB 3.29Å; S330-S334 WeakPolarHBondContact O-CB 3.4Å; S330-S334 PolarHBondContact O-N 2.93Å; S330-S334 PolarHBondContact O-OG 3.41Å
331	M	90.6	Very high	92	Very high	154 Å²	154	55.6 Å²	55.6	76%	0.759	29%	0.287	S	S	*	.	H	α-helix	trans	-65	-43.2	179.9	-67.9	-169.8	-77.7	0	0	112	N329 A335	N329-M331 VanDerWaalsContact C-N 3.33Å; N329-M331 PolarHBondContact O-N 3.12Å; N329-M331 VanDerWaalsContact O-N 3.16Å; M331-A335 VanDerWaalsContact O-CB 3.25Å; M331-A335 WeakPolarHBondContact O-CB 3.36Å; M331-A335 PolarHBondContact O-N 3.14Å
332	Q	90.7	Very high	91.9	Very high	124 Å²	124	53.2 Å²	53.2	58%	0.579	29%	0.285	S	S	*	.	H	α-helix	trans	-70.3	-41.7	-179.2	-61.7	-175.7	31.7	0	0	111.3	N329 K336	N329-Q332 PolarHBondContact O-N 3.13Å; Q332-K336 WeakPolarHBondContact O-CB 3.47Å; Q332-K336 PolarHBondContact O-N 3.14Å
333	V	91.1	Very high	91.6	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.03	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-51.3	176.3	173.7	0	0	0	0	109.7	F173 L197 P199 M326 N329 A335 K336 V337	F173-V333 HydrophobicContact CD2-CG1 4.4Å; F173-V333 HydrophobicContact CE2-CG1 4.4Å; L197-V333 HydrophobicContact CD1-CG1 4.09Å; P199-V333 HydrophobicContact CB-CG2 4.13Å; M326-V333 HydrophobicContact CE-CG1 3.99Å; M326-V333 HydrophobicContact SD-CB 4.49Å; M326-V333 HydrophobicContact SD-CG1 4.32Å; M326-V333 HydrophobicContact SD-CG2 4.17Å; N329-V333 HydrophobicContact CB-CG2 4.05Å; N329-V333 WeakPolarHBondContact O-CG2 3.3Å; N329-V333 PolarHBondContact O-N 3.37Å; V333-A335 PolarHBondContact O-N 3.35Å; V333-K336 PolarHBondContact O-N 3.05Å; V333-V337 HydrophobicContact CG1-CG2 4.21Å; V333-V337 WeakPolarHBondContact O-CB 3.42Å; V333-V337 WeakPolarHBondContact O-CG2 3.48Å; V333-V337 PolarHBondContact O-N 3.45Å
334	S	92.1	Very high	91.4	Very high	8 Å²	8	59.2 Å²	59.2	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-44.9	179.3	-54.6	0	0	0	0	112	N177 S330 K336 V337 F338	N177-S334 PolarHBondContact ND2-OG 3.4Å; S330-S334 VanDerWaalsContact O-CB 3.29Å; S330-S334 WeakPolarHBondContact O-CB 3.4Å; S330-S334 PolarHBondContact O-N 2.93Å; S330-S334 PolarHBondContact O-OG 3.41Å; S334-K336 PolarHBondContact O-N 3.25Å; S334-V337 PolarHBondContact O-N 3.37Å; S334-F338 WeakPolarHBondContact O-CB 3.46Å; S334-F338 WeakPolarHBondContact O-CD1 3.45Å; S334-F338 WeakPolarHBondContact O-CD2 3.04Å; S334-F338 WeakPolarHBondContact O-CG 3.38Å; S334-F338 PolarHBondContact O-N 2.71Å
335	A	92.4	Very high	91.2	Very high	45 Å²	45	63 Å²	63	37%	0.372	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-44.9	178.6	0	0	0	0	0	112.7	M331 V333 Q339	M331-A335 VanDerWaalsContact O-CB 3.25Å; M331-A335 WeakPolarHBondContact O-CB 3.36Å; M331-A335 PolarHBondContact O-N 3.14Å; V333-A335 PolarHBondContact O-N 3.35Å; A335-Q339 VanDerWaalsContact O-CG 3.23Å; A335-Q339 WeakPolarHBondContact O-CG 2.95Å; A335-Q339 PolarHBondContact O-N 2.87Å; A335-Q339 VanDerWaalsContact O-N 3.12Å
336	K	91.1	Very high	90.8	Very high	98 Å²	98	66.2 Å²	66.2	43%	0.426	35%	0.35	S	S	.	.	H	α-helix	trans	-71.5	-38.8	179.2	-75.2	-178.2	177.3	177.2	0	112.4	L197 Q332 V333 S334 Q339 G340	L197-K336 HydrophobicContact CD1-CB 4.34Å; L197-K336 HydrophobicContact CD2-CB 3.85Å; L197-K336 HydrophobicContact CD2-CD 3.16Å; L197-K336 HydrophobicContact CD2-CG 4.15Å; Q332-K336 WeakPolarHBondContact O-CB 3.47Å; Q332-K336 PolarHBondContact O-N 3.14Å; V333-K336 PolarHBondContact O-N 3.05Å; S334-K336 PolarHBondContact O-N 3.25Å; K336-Q339 WeakPolarHBondContact O-CB 3.28Å; K336-Q339 PolarHBondContact O-N 3.38Å; K336-G340 PolarHBondContact O-N 2.95Å
337	V	92.2	Very high	90.3	Very high	1 Å²	1	68 Å²	68	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-63.8	-42.5	175	170.9	0	0	0	0	110.8	F173 Y186 V190 L197 V333 S334 Q339 G340 C341	F173-V337 HydrophobicContact CE1-CG1 4.28Å; F173-V337 HydrophobicContact CE2-CB 4.11Å; F173-V337 HydrophobicContact CE2-CG1 4.09Å; F173-V337 HydrophobicContact CE2-CG2 4.21Å; F173-V337 HydrophobicContact CZ-CB 4.02Å; F173-V337 HydrophobicContact CZ-CG1 3.58Å; Y186-V337 HydrophobicContact CE1-CG1 4.12Å; V190-V337 HydrophobicContact CB-CG1 4.35Å; V190-V337 HydrophobicContact CG1-CG1 4.44Å; V190-V337 HydrophobicContact CG1-CG2 4.22Å; V190-V337 HydrophobicContact CG2-CG1 3.57Å; L197-V337 HydrophobicContact CD1-CG2 3.92Å; V333-V337 HydrophobicContact CG1-CG2 4.21Å; V333-V337 WeakPolarHBondContact O-CB 3.42Å; V333-V337 WeakPolarHBondContact O-CG2 3.48Å; V333-V337 PolarHBondContact O-N 3.45Å; S334-V337 PolarHBondContact O-N 3.37Å; V337-Q339 VanDerWaalsContact C-N 3.29Å; V337-Q339 PolarHBondContact O-N 3.39Å; V337-G340 PolarHBondContact O-N 3.19Å; V337-G340 VanDerWaalsContact O-N 3.14Å; V337-C341 HydrophobicContact CG1-CB 4.38Å; V337-C341 WeakPolarHBondContact O-CB 3.39Å; V337-C341 PolarHBondContact O-N 3.35Å
338	F	93.4	Very high	89.5	Confident	33 Å²	33	71 Å²	71	15%	0.145	39%	0.388	C	S	.	.	H	α-helix	trans	-66	-32.7	177	-62	-14.8	0	0	0	112.5	F173 Y180 F182 Y186 S334 G342 P344	F173-F338 HydrophobicContact CE1-CE1 4.33Å; F173-F338 HydrophobicContact CZ-CD1 4.39Å; F173-F338 AromaticContact CZ-CE1 3.74Å; F173-F338 HydrophobicContact CZ-CE1 3.74Å; F173-F338 HydrophobicContact CZ-CZ 4.49Å; Y180-F338 HydrophobicContact CD2-CZ 4.04Å; Y180-F338 HydrophobicContact CE2-CE2 4.04Å; Y180-F338 AromaticContact CE2-CZ 3.87Å; Y180-F338 HydrophobicContact CE2-CZ 3.87Å; F182-F338 HydrophobicContact CE1-CE1 4.3Å; F182-F338 HydrophobicContact CZ-CE1 4.5Å; Y186-F338 VanDerWaalsContact OH-CD1 3.28Å; Y186-F338 WeakPolarHBondContact OH-CD1 3.27Å; S334-F338 WeakPolarHBondContact O-CB 3.46Å; S334-F338 WeakPolarHBondContact O-CD1 3.45Å; S334-F338 WeakPolarHBondContact O-CD2 3.04Å; S334-F338 WeakPolarHBondContact O-CG 3.38Å; S334-F338 PolarHBondContact O-N 2.71Å; F338-G342 CarbonylContact O-C 3.5Å; F338-G342 VanDerWaalsContact O-C 3.22Å; F338-G342 WeakPolarHBondContact O-CA 3.21Å; F338-G342 PolarHBondContact O-N 3.24Å; F338-G342 VanDerWaalsContact O-N 3.12Å; F338-P344 HydrophobicContact CD1-CG 4Å; F338-P344 HydrophobicContact CE1-CG 3.6Å; F338-P344 HydrophobicContact CZ-CG 4.02Å
339	Q	91.8	Very high	88	Confident	163 Å²	163	68.7 Å²	68.7	76%	0.762	39%	0.394	S	S	*	.	H	α-helix	trans	-67.9	-36.7	172.4	-73.3	169.4	13.1	0	0	112.3	A335 K336 V337	A335-Q339 VanDerWaalsContact O-CG 3.23Å; A335-Q339 WeakPolarHBondContact O-CG 2.95Å; A335-Q339 PolarHBondContact O-N 2.87Å; A335-Q339 VanDerWaalsContact O-N 3.12Å; K336-Q339 WeakPolarHBondContact O-CB 3.28Å; K336-Q339 PolarHBondContact O-N 3.38Å; V337-Q339 VanDerWaalsContact C-N 3.29Å; V337-Q339 PolarHBondContact O-N 3.39Å
340	G	90.4	Very high	86.1	Confident	34 Å²	34	74.6 Å²	74.6	35%	0.351	42%	0.424	S	S	.	.	H	α-helix	trans	-84.3	-50.5	-176.5	0	0	0	0	0	114.8	Y193 K336 V337	Y193-G340 WeakPolarHBondContact OH-CA 3.39Å; K336-G340 PolarHBondContact O-N 2.95Å; V337-G340 PolarHBondContact O-N 3.19Å; V337-G340 VanDerWaalsContact O-N 3.14Å
341	C	92.4	Very high	84	Confident	30 Å²	30	85 Å²	85	20%	0.203	46%	0.46	C	S	.	.	H	α-helix	trans	-90	-8.8	-176.9	-59.1	0	0	0	0	113.4	Y186 C189 V337	Y186-C341 HydrophobicContact CD2-CB 4.35Å; Y186-C341 HydrophobicContact CE1-CB 4.26Å; Y186-C341 HydrophobicContact CE2-CB 3.78Å; C189-C341 HydrophobicContact CB-CB 3.91Å; C189-C341 WeakPolarHBondContact CB-SG 3.43Å; C189-C341 WeakPolarHBondContact SG-CA 3.27Å; C189-C341 WeakPolarHBondContact SG-CB 3.41Å; C189-C341 CovalentContact SG-SG 2.04Å; C189-C341 PolarHBondContact SG-SG 2.73Å; V337-C341 HydrophobicContact CG1-CB 4.38Å; V337-C341 WeakPolarHBondContact O-CB 3.39Å; V337-C341 PolarHBondContact O-N 3.35Å
342	G	92	Very high	81.5	Confident	31 Å²	31	83 Å²	83	32%	0.32	46%	0.462	S	S	.	.			trans	88.1	167.9	-175	0	0	0	0	0	113.2	Y186 F338	Y186-G342 WeakPolarHBondContact CE2-O 3.45Å; Y186-G342 PolarHBondContact OH-O 3.06Å; F338-G342 CarbonylContact O-C 3.5Å; F338-G342 VanDerWaalsContact O-C 3.22Å; F338-G342 WeakPolarHBondContact O-CA 3.21Å; F338-G342 PolarHBondContact O-N 3.24Å; F338-G342 VanDerWaalsContact O-N 3.12Å
343	Q	90	Very high	79	Confident	132 Å²	132	81.6 Å²	81.6	62%	0.617	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-68.8	124.3	-178	-166.9	68.2	24.9	0	0	110.6	Y180	Y180-Q343 PolarHBondContact OH-NE2 2.88Å
344	P	89.4	Confident	76.5	Confident	8 Å²	8	92.6 Å²	92.6	5%	0.052	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-71.4	158.9	-179.1	30.2	-36.4	0	0	0	112.1	Y180 F182 Y186 F338	Y180-P344 HydrophobicContact CD1-CB 4.15Å; Y180-P344 HydrophobicContact CD1-CG 3.58Å; Y180-P344 HydrophobicContact CD2-CG 3.82Å; Y180-P344 HydrophobicContact CE1-CG 3.98Å; Y180-P344 HydrophobicContact CE2-CG 4.2Å; Y180-P344 HydrophobicContact CG-CB 4.1Å; Y180-P344 HydrophobicContact CG-CG 3.5Å; F182-P344 HydrophobicContact CD1-CB 3.92Å; F182-P344 HydrophobicContact CE1-CB 3.5Å; F182-P344 HydrophobicContact CE1-CG 3.82Å; F182-P344 HydrophobicContact CZ-CB 4.44Å; F182-P344 HydrophobicContact CZ-CG 4.45Å; Y186-P344 HydrophobicContact CE1-CB 4.45Å; Y186-P344 HydrophobicContact CE2-CB 4.17Å; F338-P344 HydrophobicContact CD1-CG 4Å; F338-P344 HydrophobicContact CE1-CG 3.6Å; F338-P344 HydrophobicContact CZ-CG 4.02Å
345	K	87.4	Confident	73.7	Confident	159 Å²	159	97.9 Å²	97.9	69%	0.691	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.4	178.7	-69.1	178.2	-177.1	170.6	0	109.7	Y180 H181 A347	Y180-K345 WeakPolarHBondContact CA-O 3.3Å; H181-K345 PolarHBondContact N-O 3.04Å; K345-A347 PolarHBondContact O-N 2.61Å
346	P	86.8	Confident	71.1	Confident	103 Å²	103	99.6 Å²	99.6	67%	0.669	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-56.7	137.6	171.5	-19	29.6	0	0	0	109.9
347	A	81	Confident	68.7	Low	37 Å²	37	100.8 Å²	100.8	31%	0.306	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-60.1	138.9	172.8	0	0	0	0	0	109.1	Q179 K345 A349	Q179-A347 WeakPolarHBondContact O-CB 3.29Å; Q179-A347 PolarHBondContact O-N 3.19Å; K345-A347 PolarHBondContact O-N 2.61Å; A347-A349 PolarHBondContact O-N 2.98Å
348	P	74.1	Confident	65.9	Low	107 Å²	107	109.7 Å²	109.7	70%	0.695	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-54	128.9	174	-20.7	30	0	0	0	109.2	L350	P348-L350 PolarHBondContact O-N 3.29Å
349	A	59.6	Low	63.2	Low	97 Å²	97	113.1 Å²	113.1	80%	0.802	64%	0.642	S	S	*	*			trans	-58.3	98.8	178.3	0	0	0	0	0	109.6	A347 R351	A347-A349 PolarHBondContact O-N 2.98Å; A349-R351 PolarHBondContact O-N 3.49Å
350	L	49.3	Very low	60.9	Low	172 Å²	172	110 Å²	110	90%	0.901	63%	0.626	S	S	*	*			trans	-64.9	100	171.8	-88.6	155.9	0	0	0	107.4	P348 S352	P348-L350 PolarHBondContact O-N 3.29Å; L350-S352 PolarHBondContact O-N 2.91Å
351	R	46.7	Very low	58.4	Low	244 Å²	244	115.5 Å²	115.5	92%	0.921	65%	0.648	S	S	*	*			trans	-61.2	104.4	169.4	-74.7	179.9	177	157	-0.8	108.6	A349	A349-R351 PolarHBondContact O-N 3.49Å
352	S	38.2	Very low	56	Low	113 Å²	113	118 Å²	118	79%	0.79	66%	0.662	S	S	*	*			trans	56.5	80.3	155	-148.4	0	0	0	0	116.6	L350	L350-S352 PolarHBondContact O-N 2.91Å
353	A	37.8	Very low	53.3	Low	94 Å²	94	128 Å²	128	78%	0.777	69%	0.69	S	S	*	*			trans	-103.1	112.6	142	0	0	0	0	0	107.1	S355	A353-S355 PolarHBondContact O-N 2.63Å
354	R	38.7	Very low	51.5	Low	235 Å²	235	126 Å²	126	89%	0.887	68%	0.679	S	S	*	*	S	Bend	trans	-51.2	129.2	171.7	-77.2	169.6	167	157.4	-5.1	109.5
355	S	33.6	Very low	49.3	Very low	120 Å²	120	136.6 Å²	136.6	84%	0.839	72%	0.719	S	S	*	*			trans	69.1	60.5	155.9	-42.4	0	0	0	0	116.8	A353	A353-S355 PolarHBondContact O-N 2.63Å
356	A	38.4	Very low	47.4	Very low	80 Å²	80	134.8 Å²	134.8	66%	0.661	72%	0.723	S	S	*	*			trans	-88.4	135.4	147.6	0	0	0	0	0	107.4	E358	A356-E358 PolarHBondContact O-N 2.85Å
357	P	39.8	Very low	45.5	Very low	124 Å²	124	133.5 Å²	133.5	81%	0.805	71%	0.705	S	S	*	*			trans	-66.4	104.7	-176.5	25	-27.9	0	0	0	109	N359	P357-N359 PolarHBondContact O-N 2.79Å
358	E	33	Very low	44	Very low	188 Å²	188	136.3 Å²	136.3	88%	0.879	72%	0.715	S	S	*	*			trans	-56.7	82.9	155.2	-73.2	-177.6	151.9	0	0	107.6	A356	A356-E358 PolarHBondContact O-N 2.85Å
359	N	36.5	Very low	42.9	Very low	105 Å²	105	134.9 Å²	134.9	56%	0.561	71%	0.706	S	S	*	*			trans	-159.9	66.6	167.6	-88.4	-30.1	0	0	0	108.8	P357 N361 T362	P357-N359 PolarHBondContact O-N 2.79Å; N359-N361 PolarHBondContact O-N 2.65Å; N359-T362 HydrophobicContact CB-CG2 4.02Å; N359-T362 PolarHBondContact O-N 2.91Å
360	F	44.2	Very low	42.4	Very low	97 Å²	97	138 Å²	138	43%	0.425	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.2	-1.4	157.5	-137.6	-93.4	0	0	0	111.6	L175 I176	L175-F360 HydrophobicContact CB-CE2 4.4Å; L175-F360 HydrophobicContact CB-CZ 4.16Å; L175-F360 WeakPolarHBondContact O-CE2 3.48Å; L175-F360 VanDerWaalsContact O-CZ 3.23Å; L175-F360 WeakPolarHBondContact O-CZ 3.21Å; I176-F360 HydrophobicContact CG1-CE1 4.21Å; I176-F360 HydrophobicContact CG1-CZ 4.45Å
361	N	38.1	Very low	42.3	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	32.4	173.6	-71.1	-25.7	0	0	0	112.9	N359 R363	N359-N361 PolarHBondContact O-N 2.65Å; N361-R363 PolarHBondContact O-N 3.2Å
362	T	40.8	Very low	42.1	Very low	82 Å²	82	132.3 Å²	132.3	50%	0.503	68%	0.677	S	S	.	*			trans	-66.9	105.2	166.2	47.1	0	0	0	0	108.7	N359 F364	N359-T362 HydrophobicContact CB-CG2 4.02Å; N359-T362 PolarHBondContact O-N 2.91Å; T362-F364 PolarHBondContact O-N 3.06Å
363	R	37	Very low	42.5	Very low	242 Å²	242	130.9 Å²	130.9	91%	0.913	66%	0.664	S	S	*	*			trans	-39.5	99.8	166.5	-168.5	-179.8	-134.5	155.3	2.6	109.5	N361 R365	N361-R363 PolarHBondContact O-N 3.2Å; R363-R365 PolarHBondContact O-N 2.94Å
364	F	50.3	Low	42.8	Very low	89 Å²	89	132.5 Å²	132.5	39%	0.39	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-57.6	127.1	176.5	-64.7	-79.8	0	0	0	108.1	Y128 Q327 T362 P366	Y128-F364 HydrophobicContact CD1-CE1 4.42Å; Y128-F364 HydrophobicContact CE1-CE1 4.29Å; Q327-F364 VanDerWaalsContact NE2-CZ 3.34Å; T362-F364 PolarHBondContact O-N 3.06Å; F364-P366 WeakPolarHBondContact O-CD 3.43Å
365	R	43.7	Very low	43.3	Very low	231 Å²	231	123.1 Å²	123.1	87%	0.872	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-76.2	118.5	171.2	-163.6	175.6	-169.3	-178.5	0.9	106.1	R363 Y367	R363-R365 PolarHBondContact O-N 2.94Å; R365-Y367 PolarHBondContact O-N 2.94Å
366	P	47.5	Very low	43.9	Very low	120 Å²	120	121.6 Å²	121.6	78%	0.779	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-55.2	125.9	176.6	-21.9	32	0	0	0	109.1	F364 N368	F364-P366 WeakPolarHBondContact O-CD 3.43Å; P366-N368 PolarHBondContact O-N 3.47Å
367	Y	48	Very low	44.3	Very low	76 Å²	76	119.9 Å²	119.9	30%	0.298	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-60.6	131.7	174.5	175.2	-108.6	0	0	0	109.3	M123 V317 R365 P369	M123-Y367 HydrophobicContact CE-CD1 4.18Å; M123-Y367 HydrophobicContact CE-CD2 3.76Å; M123-Y367 HydrophobicContact CE-CE1 4.4Å; M123-Y367 HydrophobicContact CE-CE2 4.02Å; M123-Y367 HydrophobicContact CE-CG 3.85Å; M123-Y367 HydrophobicContact SD-CE2 4.33Å; V317-Y367 HydrophobicContact CG1-CD1 4.48Å; V317-Y367 HydrophobicContact CG1-CE1 4.46Å; V317-Y367 HydrophobicContact CG2-CD1 4.15Å; V317-Y367 HydrophobicContact CG2-CE1 3.47Å; V317-Y367 VanDerWaalsContact CG2-CE1 3.47Å; R365-Y367 PolarHBondContact O-N 2.94Å; Y367-P369 WeakPolarHBondContact O-CD 3.22Å
368	N	48.6	Very low	44.8	Very low	96 Å²	96	116.7 Å²	116.7	51%	0.513	60%	0.604	S	S	.	*			trans	-84.1	115.5	172.5	-164.7	19.5	0	0	0	107.7	P366 E370 E371	P366-N368 PolarHBondContact O-N 3.47Å; N368-E370 PolarHBondContact O-N 3.4Å; N368-E371 PolarHBondContact O-N 3.3Å
369	P	51.5	Low	46.2	Very low	78 Å²	78	110.8 Å²	110.8	51%	0.506	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.7	-4	-175	-22.9	33.8	0	0	0	115.8	Y367	Y367-P369 WeakPolarHBondContact O-CD 3.22Å
370	E	49.6	Very low	48.3	Very low	163 Å²	163	107.4 Å²	107.4	76%	0.762	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-6.9	-172.6	-65.1	-178	152.6	0	0	114.5	N368 R372	N368-E370 PolarHBondContact O-N 3.4Å; E370-R372 VanDerWaalsContact C-N 3.25Å; E370-R372 PolarHBondContact O-N 2.99Å
371	E	46.5	Very low	50.3	Low	142 Å²	142	102.8 Å²	102.8	66%	0.664	55%	0.545	S	S	*	.			trans	-87.7	37.5	174.9	-88.5	-172.2	169.4	0	0	113.4	N368 P373	N368-E371 PolarHBondContact O-N 3.3Å; E371-P373 WeakPolarHBondContact O-CD 3.41Å
372	R	42.9	Very low	52.7	Low	154 Å²	154	98.8 Å²	98.8	58%	0.581	52%	0.524	S	S	*	.			trans	-71.2	127.6	175.5	-73.6	-177.8	-175.7	163.8	2.7	110.7	E370 T374	E370-R372 VanDerWaalsContact C-N 3.25Å; E370-R372 PolarHBondContact O-N 2.99Å; R372-T374 PolarHBondContact O-N 3.35Å
373	P	45.9	Very low	55	Low	82 Å²	82	102.9 Å²	102.9	53%	0.532	53%	0.53	S	S	.	.			trans	-60.1	111.8	163.5	-14.8	28.4	0	0	0	108	E371 T375	E371-P373 WeakPolarHBondContact O-CD 3.41Å; P373-T375 PolarHBondContact O-N 3.05Å
374	T	43.9	Very low	57.7	Low	128 Å²	128	92.1 Å²	92.1	79%	0.785	49%	0.491	S	S	*	.			trans	-57.1	131.5	161.1	45.2	0	0	0	0	107.6	R372 A376	R372-T374 PolarHBondContact O-N 3.35Å; T374-A376 PolarHBondContact O-N 2.87Å
375	T	49.5	Very low	59.7	Low	39 Å²	39	87.9 Å²	87.9	24%	0.239	47%	0.472	C	S	.	.			trans	-44.7	117.5	179.1	45	0	0	0	0	110.8	P373 A377 G378	P373-T375 PolarHBondContact O-N 3.05Å; T375-A377 PolarHBondContact O-N 2.94Å; T375-G378 PolarHBondContact O-N 3.2Å
376	A	45.3	Very low	62.1	Low	88 Å²	88	79.9 Å²	79.9	73%	0.727	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.6	-170.1	0	0	0	0	0	113.8	T374	T374-A376 PolarHBondContact O-N 2.87Å
377	A	47	Very low	64.4	Low	43 Å²	43	76.1 Å²	76.1	36%	0.355	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.6	179.3	0	0	0	0	0	114.5	T375 T379	T375-A377 PolarHBondContact O-N 2.94Å; A377-T379 PolarHBondContact O-N 3.41Å; A377-T379 VanDerWaalsContact O-N 3.07Å
378	G	51.1	Low	66.6	Low	58 Å²	58	72.6 Å²	72.6	60%	0.598	41%	0.408	S	S	*	.	S	Bend	trans	67.3	7.3	178.2	0	0	0	0	0	115.2	T375	T375-G378 PolarHBondContact O-N 3.2Å
379	T	62.9	Low	69	Low	63 Å²	63	69.3 Å²	69.3	39%	0.387	39%	0.389	S	S	.	.			trans	-133.9	133.8	173	61.9	0	0	0	0	109.7	A377	A377-T379 PolarHBondContact O-N 3.41Å; A377-T379 VanDerWaalsContact O-N 3.07Å
380	S	79.9	Confident	71.1	Confident	34 Å²	34	70.8 Å²	70.8	24%	0.238	39%	0.39	C	S	.	.			trans	-78.4	156.4	169.3	56.9	0	0	0	0	111.1	D382 R383 L384	S380-D382 PolarHBondContact O-N 3.01Å; S380-R383 PolarHBondContact O-N 3.24Å; S380-R383 VanDerWaalsContact O-N 3.08Å; S380-R383 PolarHBondContact OG-N 2.99Å; S380-L384 PolarHBondContact O-N 3.32Å
381	L	87.3	Confident	73.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-48.8	-42.2	168	179.8	70	0	0	0	110	F105 F108 L302 I308 E309 R383 L384 V385	F105-L381 HydrophobicContact CE2-CD1 3.86Å; F105-L381 HydrophobicContact CZ-CD1 4.24Å; F108-L381 HydrophobicContact CD1-CD1 4.08Å; F108-L381 HydrophobicContact CE1-CB 3.86Å; F108-L381 HydrophobicContact CE1-CD1 3.59Å; F108-L381 HydrophobicContact CE1-CG 4.3Å; F108-L381 HydrophobicContact CZ-CB 3.78Å; F108-L381 HydrophobicContact CZ-CD1 4.36Å; L302-L381 WeakPolarHBondContact O-CD2 3.37Å; I308-L381 HydrophobicContact CG2-CD1 4.33Å; I308-L381 HydrophobicContact CG2-CD2 3.69Å; E309-L381 VanDerWaalsContact CD-N 3.27Å; E309-L381 HydrophobicContact CG-CB 3.89Å; E309-L381 PolarHBondContact OE1-N 3.48Å; E309-L381 WeakPolarHBondContact OE2-CA 3.17Å; E309-L381 WeakPolarHBondContact OE2-CB 3.42Å; E309-L381 PolarHBondContact OE2-N 2.7Å; L381-R383 VanDerWaalsContact C-N 3.35Å; L381-R383 PolarHBondContact O-N 2.96Å; L381-L384 PolarHBondContact O-N 2.91Å; L381-L384 VanDerWaalsContact O-N 3.14Å; L381-V385 HydrophobicContact CD1-CG2 3.76Å; L381-V385 HydrophobicContact CG-CG2 3.88Å; L381-V385 WeakPolarHBondContact O-CB 3.26Å; L381-V385 VanDerWaalsContact O-CG2 3.28Å; L381-V385 WeakPolarHBondContact O-CG2 3.17Å; L381-V385 PolarHBondContact O-N 3.42Å
382	D	87	Confident	75.7	Confident	66 Å²	66	59.2 Å²	59.2	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-56.5	-46.2	179.7	-60.4	-26.1	0	0	0	112.2	N307 S380 L384 V385 T386	N307-D382 PolarHBondContact ND2-OD1 3.34Å; S380-D382 PolarHBondContact O-N 3.01Å; D382-L384 VanDerWaalsContact C-N 3.34Å; D382-L384 PolarHBondContact O-N 2.86Å; D382-V385 PolarHBondContact O-N 3.49Å; D382-T386 WeakPolarHBondContact O-CB 3.49Å; D382-T386 PolarHBondContact O-N 3.25Å; D382-T386 PolarHBondContact O-OG1 3.28Å
383	R	89.9	Confident	78.3	Confident	168 Å²	168	57.8 Å²	57.8	63%	0.634	33%	0.333	S	S	*	.	H	α-helix	trans	-64.8	-40.8	178.4	-72.6	-178.5	-178.4	163.4	2.5	111.6	S380 L381 D387	S380-R383 PolarHBondContact O-N 3.24Å; S380-R383 VanDerWaalsContact O-N 3.08Å; S380-R383 PolarHBondContact OG-N 2.99Å; L381-R383 VanDerWaalsContact C-N 3.35Å; L381-R383 PolarHBondContact O-N 2.96Å; R383-D387 PolarHBondContact O-N 2.69Å; R383-D387 VanDerWaalsContact O-N 3.1Å
384	L	93	Very high	80.7	Confident	17 Å²	17	59.4 Å²	59.4	9%	0.089	34%	0.336	C	S	.	.	H	α-helix	trans	-66.4	-48.2	179.3	178.4	59.3	0	0	0	111.1	K104 F105 F108 S380 L381 D382 D387 I388	K104-L384 HydrophobicContact CB-CD1 4.06Å; F105-L384 HydrophobicContact CB-CD2 4.41Å; F105-L384 HydrophobicContact CD2-CD2 4.16Å; F108-L384 HydrophobicContact CB-CD2 3.7Å; F108-L384 HydrophobicContact CD1-CD2 4.18Å; F108-L384 HydrophobicContact CD2-CD2 4.33Å; F108-L384 HydrophobicContact CG-CD2 3.79Å; S380-L384 PolarHBondContact O-N 3.32Å; L381-L384 PolarHBondContact O-N 2.91Å; L381-L384 VanDerWaalsContact O-N 3.14Å; D382-L384 VanDerWaalsContact C-N 3.34Å; D382-L384 PolarHBondContact O-N 2.86Å; L384-D387 PolarHBondContact O-N 3.39Å; L384-I388 HydrophobicContact CD1-CD1 4.1Å; L384-I388 HydrophobicContact CD1-CG1 4.47Å; L384-I388 HydrophobicContact CG-CD1 4.03Å; L384-I388 VanDerWaalsContact O-CG1 3.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.23Å; L384-I388 PolarHBondContact O-N 2.98Å
385	V	93.8	Very high	83.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-39.9	179.6	178.2	0	0	0	0	110.6	F105 A299 L302 E303 L381 D382 I388 K389	F105-V385 HydrophobicContact CE2-CG2 4.07Å; A299-V385 HydrophobicContact CB-CG1 3.65Å; A299-V385 WeakPolarHBondContact O-CG1 3.42Å; L302-V385 HydrophobicContact CB-CG2 4.4Å; E303-V385 HydrophobicContact CG-CB 3.87Å; E303-V385 HydrophobicContact CG-CG1 3.63Å; L381-V385 HydrophobicContact CD1-CG2 3.76Å; L381-V385 HydrophobicContact CG-CG2 3.88Å; L381-V385 WeakPolarHBondContact O-CB 3.26Å; L381-V385 VanDerWaalsContact O-CG2 3.28Å; L381-V385 WeakPolarHBondContact O-CG2 3.17Å; L381-V385 PolarHBondContact O-N 3.42Å; D382-V385 PolarHBondContact O-N 3.49Å; V385-I388 PolarHBondContact O-N 3.18Å; V385-K389 HydrophobicContact CG1-CD 3.99Å; V385-K389 HydrophobicContact CG1-CG 4.26Å; V385-K389 WeakPolarHBondContact O-CB 3.47Å; V385-K389 VanDerWaalsContact O-CG 3.27Å; V385-K389 WeakPolarHBondContact O-CG 3.36Å; V385-K389 PolarHBondContact O-N 3.3Å
386	T	93.8	Very high	85.4	Confident	63 Å²	63	55 Å²	55	39%	0.387	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-47.5	174.8	-70.9	0	0	0	0	111.9	E303 D382 I388 K389 E390	E303-T386 WeakPolarHBondContact OE1-CA 3.21Å; E303-T386 PolarHBondContact OE1-N 3.47Å; E303-T386 VanDerWaalsContact OE1-N 3.13Å; E303-T386 PolarHBondContact OE1-OG1 3.17Å; D382-T386 WeakPolarHBondContact O-CB 3.49Å; D382-T386 PolarHBondContact O-N 3.25Å; D382-T386 PolarHBondContact O-OG1 3.28Å; T386-I388 VanDerWaalsContact C-N 3.33Å; T386-I388 PolarHBondContact O-N 3.1Å; T386-K389 PolarHBondContact O-N 3.14Å; T386-E390 WeakPolarHBondContact O-CG 3.06Å; T386-E390 PolarHBondContact O-N 3.27Å
387	D	94.3	Very high	87.7	Confident	41 Å²	41	56.9 Å²	56.9	22%	0.219	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-42	174.6	167	70.5	0	0	0	111.4	R101 R383 L384 K389 E390 K391	R101-D387 WeakPolarHBondContact CD-OD2 3.35Å; R101-D387 IonicContact CZ-OD1 3.31Å; R101-D387 IonicContact CZ-OD2 2.65Å; R101-D387 IonicContact NE-OD1 3.79Å; R101-D387 IonicContact NE-OD2 2.92Å; R101-D387 PolarHBondContact NE-OD2 3.35Å; R101-D387 IonicContact NH2-OD1 2.73Å; R101-D387 PolarHBondContact NH2-OD1 3.25Å; R101-D387 IonicContact NH2-OD2 3.98Å; R101-D387 PolarHBondContact NH2-OD2 3.42Å; R383-D387 PolarHBondContact O-N 2.69Å; R383-D387 VanDerWaalsContact O-N 3.1Å; L384-D387 PolarHBondContact O-N 3.39Å; D387-K389 PolarHBondContact O-N 3.03Å; D387-E390 PolarHBondContact O-N 3.44Å; D387-K391 WeakPolarHBondContact O-CG 3.39Å; D387-K391 PolarHBondContact O-N 3.47Å; D387-K391 VanDerWaalsContact O-N 3.14Å
388	I	96.3	Very high	90	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-45.7	176.3	-64.8	168.3	0	0	0	110.8	R101 F105 F221 L225 L384 V385 T386 E390 K391 L392	R101-I388 HydrophobicContact CB-CD1 4.44Å; R101-I388 HydrophobicContact CB-CG1 3.99Å; R101-I388 HydrophobicContact CG-CG1 4.03Å; F105-I388 HydrophobicContact CB-CD1 4.23Å; F105-I388 HydrophobicContact CD2-CD1 3.88Å; F221-I388 HydrophobicContact CE1-CD1 4.05Å; F221-I388 HydrophobicContact CE1-CG2 4.24Å; F221-I388 HydrophobicContact CZ-CB 4.46Å; F221-I388 HydrophobicContact CZ-CD1 4.5Å; F221-I388 HydrophobicContact CZ-CG2 3.69Å; L225-I388 HydrophobicContact CD2-CG2 4.27Å; L384-I388 HydrophobicContact CD1-CD1 4.1Å; L384-I388 HydrophobicContact CD1-CG1 4.47Å; L384-I388 HydrophobicContact CG-CD1 4.03Å; L384-I388 VanDerWaalsContact O-CG1 3.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.23Å; L384-I388 PolarHBondContact O-N 2.98Å; V385-I388 PolarHBondContact O-N 3.18Å; T386-I388 VanDerWaalsContact C-N 3.33Å; T386-I388 PolarHBondContact O-N 3.1Å; I388-E390 VanDerWaalsContact C-N 3.34Å; I388-E390 PolarHBondContact O-N 3.1Å; I388-K391 PolarHBondContact O-N 2.03Å; I388-L392 HydrophobicContact CG2-CD1 3.76Å; I388-L392 HydrophobicContact CG2-CG 4Å; I388-L392 WeakPolarHBondContact O-CB 3.26Å; I388-L392 VanDerWaalsContact O-CG 3.28Å; I388-L392 WeakPolarHBondContact O-CG 3.37Å; I388-L392 PolarHBondContact O-N 2.93Å
389	K	96.9	Very high	92.2	Very high	27 Å²	27	53 Å²	53	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-58.3	-44.2	178.3	-73.7	169.3	75.2	-176.6	0	111.8	L296 A299 E303 V385 T386 D387 K391 L392 K393	L296-K389 HydrophobicContact CD2-CB 3.91Å; L296-K389 HydrophobicContact CD2-CG 3.94Å; A299-K389 HydrophobicContact CB-CD 3.8Å; A299-K389 HydrophobicContact CB-CG 3.56Å; E303-K389 WeakPolarHBondContact OE1-CD 3.44Å; E303-K389 IonicContact OE1-NZ 2.7Å; E303-K389 IonicContact OE2-NZ 3Å; E303-K389 PolarHBondContact OE2-NZ 3.44Å; V385-K389 HydrophobicContact CG1-CD 3.99Å; V385-K389 HydrophobicContact CG1-CG 4.26Å; V385-K389 WeakPolarHBondContact O-CB 3.47Å; V385-K389 VanDerWaalsContact O-CG 3.27Å; V385-K389 WeakPolarHBondContact O-CG 3.36Å; V385-K389 PolarHBondContact O-N 3.3Å; T386-K389 PolarHBondContact O-N 3.14Å; D387-K389 PolarHBondContact O-N 3.03Å; K389-K391 PolarHBondContact O-N 2.92Å; K389-L392 PolarHBondContact O-N 3.37Å; K389-K393 VanDerWaalsContact O-CG 3.32Å; K389-K393 WeakPolarHBondContact O-CG 3.44Å; K389-K393 PolarHBondContact O-N 2.74Å
390	E	96.5	Very high	93.7	Very high	110 Å²	110	50.7 Å²	50.7	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-59.7	-45.8	176.5	-72	-178.1	175.5	0	0	111.6	T386 D387 I388 K393 L394	T386-E390 WeakPolarHBondContact O-CG 3.06Å; T386-E390 PolarHBondContact O-N 3.27Å; D387-E390 PolarHBondContact O-N 3.44Å; I388-E390 VanDerWaalsContact C-N 3.34Å; I388-E390 PolarHBondContact O-N 3.1Å; E390-K393 PolarHBondContact O-N 2.84Å; E390-L394 WeakPolarHBondContact O-CG 3.39Å; E390-L394 PolarHBondContact O-N 3.34Å
391	K	96.7	Very high	94.4	Very high	58 Å²	58	51.7 Å²	51.7	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-69.2	-36	178.9	-59.3	-59.6	176.1	-166.8	0	113.2	F93 T97 D387 I388 K389 L394 S395	F93-K391 HydrophobicContact CE2-CD 4.31Å; F93-K391 HydrophobicContact CZ-CD 4.13Å; T97-K391 HydrophobicContact CG2-CB 3.55Å; T97-K391 HydrophobicContact CG2-CG 4.22Å; D387-K391 WeakPolarHBondContact O-CG 3.39Å; D387-K391 PolarHBondContact O-N 3.47Å; D387-K391 VanDerWaalsContact O-N 3.14Å; I388-K391 PolarHBondContact O-N 2.03Å; K389-K391 PolarHBondContact O-N 2.92Å; K391-L394 HydrophobicContact CD-CD1 4.48Å; K391-L394 PolarHBondContact O-N 2.92Å; K391-S395 PolarHBondContact O-N 2.92Å; K391-S395 PolarHBondContact O-OG 2.73Å
392	L	97	Very high	94.8	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-42.9	174.2	-73.4	175.8	0	0	0	111.2	F98 I292 M295 L296 I388 K389 L394 S395 K396	F98-L392 HydrophobicContact CE1-CD2 3.92Å; F98-L392 HydrophobicContact CE2-CD2 4.4Å; F98-L392 HydrophobicContact CZ-CD2 3.61Å; I292-L392 HydrophobicContact CD1-CD2 3.81Å; I292-L392 HydrophobicContact CG2-CB 4.27Å; I292-L392 WeakPolarHBondContact CG2-O 3.23Å; M295-L392 HydrophobicContact CB-CD1 3.94Å; M295-L392 HydrophobicContact CE-CD1 4.41Å; L296-L392 HydrophobicContact CD2-CB 4.08Å; L296-L392 HydrophobicContact CD2-CD1 4.34Å; I388-L392 HydrophobicContact CG2-CD1 3.76Å; I388-L392 HydrophobicContact CG2-CG 4Å; I388-L392 WeakPolarHBondContact O-CB 3.26Å; I388-L392 VanDerWaalsContact O-CG 3.28Å; I388-L392 WeakPolarHBondContact O-CG 3.37Å; I388-L392 PolarHBondContact O-N 2.93Å; K389-L392 PolarHBondContact O-N 3.37Å; L392-L394 VanDerWaalsContact C-N 3.3Å; L392-L394 PolarHBondContact O-N 3.05Å; L392-S395 WeakPolarHBondContact O-CA 3.36Å; L392-S395 WeakPolarHBondContact O-CB 3.44Å; L392-S395 PolarHBondContact O-N 3.44Å; L392-K396 PolarHBondContact O-N 2.91Å
393	K	97	Very high	95.3	Very high	124 Å²	124	48.9 Å²	48.9	54%	0.539	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-41.4	175.1	-73.6	172.2	-177.7	178.8	0	112.2	L296 K389 E390 S395 K396	L296-K393 HydrophobicContact CD1-CG 4.02Å; L296-K393 HydrophobicContact CD2-CG 4.21Å; K389-K393 VanDerWaalsContact O-CG 3.32Å; K389-K393 WeakPolarHBondContact O-CG 3.44Å; K389-K393 PolarHBondContact O-N 2.74Å; E390-K393 PolarHBondContact O-N 2.84Å; K393-S395 PolarHBondContact O-N 3.2Å; K393-K396 PolarHBondContact O-N 3.4Å
394	L	95.8	Very high	95.6	Very high	115 Å²	115	45.6 Å²	45.6	60%	0.602	22%	0.22	S	C	*	.	H	α-helix	trans	-68.3	-17.9	175.5	-64.8	175.4	0	0	0	113.5	F93 E390 K391 L392	F93-L394 HydrophobicContact CE1-CB 3.88Å; F93-L394 HydrophobicContact CZ-CB 3.92Å; F93-L394 HydrophobicContact CZ-CD1 4.01Å; E390-L394 WeakPolarHBondContact O-CG 3.39Å; E390-L394 PolarHBondContact O-N 3.34Å; K391-L394 HydrophobicContact CD-CD1 4.48Å; K391-L394 PolarHBondContact O-N 2.92Å; L392-L394 VanDerWaalsContact C-N 3.3Å; L392-L394 PolarHBondContact O-N 3.05Å
395	S	95.8	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.4	179.2	-55.7	0	0	0	0	112.8	W288 K391 L392 K393 V398	W288-S395 PolarHBondContact NE1-O 3.49Å; K391-S395 PolarHBondContact O-N 2.92Å; K391-S395 PolarHBondContact O-OG 2.73Å; L392-S395 WeakPolarHBondContact O-CA 3.36Å; L392-S395 WeakPolarHBondContact O-CB 3.44Å; L392-S395 PolarHBondContact O-N 3.44Å; K393-S395 PolarHBondContact O-N 3.2Å; S395-V398 WeakPolarHBondContact O-CB 3.36Å; S395-V398 WeakPolarHBondContact O-CG1 3.41Å
396	K	96.1	Very high	95.8	Very high	74 Å²	74	48.6 Å²	48.6	32%	0.322	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	146.8	174.4	-66.6	-165.6	77.2	164.1	0	110.7	N289 I292 D293 L392 K393 V398	N289-K396 WeakPolarHBondContact OD1-CA 3.26Å; N289-K396 WeakPolarHBondContact OD1-CB 3.11Å; I292-K396 HydrophobicContact CB-CG 4.29Å; I292-K396 HydrophobicContact CG2-CD 4.16Å; I292-K396 HydrophobicContact CG2-CG 3.64Å; D293-K396 IonicContact OD1-NZ 3.71Å; D293-K396 PolarHBondContact OD1-NZ 3.26Å; D293-K396 IonicContact OD2-NZ 3.65Å; D293-K396 PolarHBondContact OD2-NZ 3.37Å; L392-K396 PolarHBondContact O-N 2.91Å; K393-K396 PolarHBondContact O-N 3.4Å; K396-V398 PolarHBondContact O-N 3.35Å; K396-V398 VanDerWaalsContact O-N 3.08Å
397	K	94.6	Very high	95.9	Very high	128 Å²	128	45.6 Å²	45.6	56%	0.557	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	14.8	-179.2	-55.8	-173.7	176.2	-173.6	0	115.7	D285 N289 W399 S400 T401	D285-K397 VanDerWaalsContact OD1-CA 3.27Å; D285-K397 WeakPolarHBondContact OD1-CA 3.28Å; N289-K397 PolarHBondContact OD1-N 3.02Å; K397-W399 VanDerWaalsContact C-N 3.25Å; K397-W399 PolarHBondContact O-N 2.66Å; K397-S400 PolarHBondContact O-N 2.87Å; K397-S400 PolarHBondContact O-OG 3.21Å; K397-T401 HydrophobicContact CB-CG2 4.12Å; K397-T401 WeakPolarHBondContact O-CB 3.02Å; K397-T401 VanDerWaalsContact O-CG2 3.28Å; K397-T401 WeakPolarHBondContact O-CG2 3.3Å; K397-T401 PolarHBondContact O-N 3.31Å; K397-T401 PolarHBondContact O-OG1 3.16Å
398	V	95.2	Very high	95.9	Very high	20 Å²	20	51.6 Å²	51.6	12%	0.121	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-39.3	-174.4	68.4	0	0	0	0	112	V94 W288 S395 K396 T401 L402	V94-V398 HydrophobicContact CB-CG2 4.28Å; V94-V398 HydrophobicContact CG1-CG2 4.07Å; W288-V398 HydrophobicContact CZ2-CG1 4.33Å; S395-V398 WeakPolarHBondContact O-CB 3.36Å; S395-V398 WeakPolarHBondContact O-CG1 3.41Å; K396-V398 PolarHBondContact O-N 3.35Å; K396-V398 VanDerWaalsContact O-N 3.08Å; V398-T401 PolarHBondContact O-OG1 3.48Å; V398-L402 WeakPolarHBondContact O-CG 2.99Å; V398-L402 PolarHBondContact O-N 3.49Å
399	W	95.9	Very high	95.6	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-75.7	-41.2	-175.6	-56.2	117	0	0	0	113.4	V235 Q281 L284 D285 W288 K397 T401 L402	V235-W399 HydrophobicContact CB-CH2 3.64Å; V235-W399 HydrophobicContact CB-CZ2 4.05Å; V235-W399 HydrophobicContact CB-CZ3 3.96Å; V235-W399 HydrophobicContact CG1-CD2 4.16Å; V235-W399 HydrophobicContact CG1-CE3 3.7Å; V235-W399 HydrophobicContact CG1-CH2 3.62Å; V235-W399 HydrophobicContact CG1-CZ2 4.05Å; V235-W399 HydrophobicContact CG1-CZ3 3.42Å; V235-W399 VanDerWaalsContact CG1-CZ3 3.42Å; Q281-W399 WeakPolarHBondContact O-CB 3.16Å; L284-W399 HydrophobicContact CB-CG 4.41Å; D285-W399 HydrophobicContact CB-CB 4.49Å; W288-W399 AromaticContact CD2-NE1 3.37Å; W288-W399 AromaticContact CE2-NE1 3.89Å; W288-W399 AromaticContact CE3-NE1 3.58Å; W288-W399 AromaticContact CG-CD1 3.65Å; W288-W399 AromaticContact CG-NE1 3.52Å; K397-W399 VanDerWaalsContact C-N 3.25Å; K397-W399 PolarHBondContact O-N 2.66Å; W399-T401 VanDerWaalsContact C-N 3.31Å; W399-L402 HydrophobicContact CE3-CD1 3.73Å; W399-L402 HydrophobicContact CZ3-CD1 4.12Å
400	S	94.8	Very high	95.2	Very high	13 Å²	13	60.1 Å²	60.1	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-71.5	-25.6	175.4	52.1	0	0	0	0	112.7	D285 K397	D285-S400 PolarHBondContact OD1-N 3.04Å; D285-S400 PolarHBondContact OD1-OG 3.43Å; D285-S400 PolarHBondContact OD2-OG 3.49Å; K397-S400 PolarHBondContact O-N 2.87Å; K397-S400 PolarHBondContact O-OG 3.21Å
401	T	95.7	Very high	94.7	Very high	55 Å²	55	63.8 Å²	63.8	34%	0.337	30%	0.295	S	S	.	.	H	α-helix	trans	-86.8	-14.3	179.8	54.3	0	0	0	0	114.8	K397 V398 W399 Y404 T405	K397-T401 HydrophobicContact CB-CG2 4.12Å; K397-T401 WeakPolarHBondContact O-CB 3.02Å; K397-T401 VanDerWaalsContact O-CG2 3.28Å; K397-T401 WeakPolarHBondContact O-CG2 3.3Å; K397-T401 PolarHBondContact O-N 3.31Å; K397-T401 PolarHBondContact O-OG1 3.16Å; V398-T401 PolarHBondContact O-OG1 3.48Å; W399-T401 VanDerWaalsContact C-N 3.31Å; T401-Y404 WeakPolarHBondContact O-CB 3.2Å; T401-Y404 PolarHBondContact O-N 3.05Å; T401-T405 PolarHBondContact O-N 3.42Å; T401-T405 PolarHBondContact O-OG1 3.42Å
402	L	95.7	Very high	94.4	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-48.3	-50.3	-179.7	-78.7	179.8	0	0	0	113.6	T90 L278 V398 W399 Y404 T405 I406	T90-L402 HydrophobicContact CG2-CD2 3.46Å; T90-L402 VanDerWaalsContact CG2-CD2 3.46Å; L278-L402 HydrophobicContact CD1-CB 3.91Å; L278-L402 HydrophobicContact CD1-CD1 4.39Å; V398-L402 WeakPolarHBondContact O-CG 2.99Å; V398-L402 PolarHBondContact O-N 3.49Å; W399-L402 HydrophobicContact CE3-CD1 3.73Å; W399-L402 HydrophobicContact CZ3-CD1 4.12Å; L402-Y404 VanDerWaalsContact C-N 3.28Å; L402-Y404 PolarHBondContact O-N 2.96Å; L402-T405 PolarHBondContact O-N 3.33Å; L402-I406 WeakPolarHBondContact O-CG1 3.47Å; L402-I406 PolarHBondContact O-N 3.06Å
403	P	96.8	Very high	94.2	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-56	-42.1	178.8	-26.9	36.5	0	0	0	113	L271 M274 K275 L278 C407	L271-P403 HydrophobicContact CD2-CB 4.27Å; M274-P403 HydrophobicContact CB-CB 3.74Å; M274-P403 HydrophobicContact CB-CG 4.33Å; K275-P403 HydrophobicContact CG-CB 3.98Å; K275-P403 HydrophobicContact CG-CG 3.89Å; L278-P403 HydrophobicContact CD1-CG 4.2Å; P403-C407 WeakPolarHBondContact O-CB 3.48Å; P403-C407 PolarHBondContact O-N 2.97Å; P403-C407 PolarHBondContact O-SG 2.93Å
404	Y	95.7	Very high	93.8	Very high	100 Å²	100	56.6 Å²	56.6	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-68.2	-41.9	-179	-65	-82.3	0	0	0	112	L271 K275 T401 L402 K408	L271-Y404 HydrophobicContact CD1-CD1 4.08Å; L271-Y404 HydrophobicContact CD1-CE1 3.9Å; L271-Y404 HydrophobicContact CD2-CD1 3.61Å; L271-Y404 HydrophobicContact CD2-CE1 3.97Å; L271-Y404 HydrophobicContact CD2-CG 4.02Å; K275-Y404 WeakPolarHBondContact CE-OH 3.31Å; K275-Y404 PolarHBondContact NZ-OH 3.01Å; T401-Y404 WeakPolarHBondContact O-CB 3.2Å; T401-Y404 PolarHBondContact O-N 3.05Å; L402-Y404 VanDerWaalsContact C-N 3.28Å; L402-Y404 PolarHBondContact O-N 2.96Å; Y404-K408 WeakPolarHBondContact O-CB 3.47Å; Y404-K408 PolarHBondContact O-N 3.38Å
405	T	95.2	Very high	93.2	Very high	78 Å²	78	51.4 Å²	51.4	48%	0.479	24%	0.244	S	C	.	.	H	α-helix	trans	-66.7	-41.2	178.4	-53.1	0	0	0	0	111.6	T90 T401 L402	T90-T405 HydrophobicContact CG2-CG2 3.62Å; T401-T405 PolarHBondContact O-N 3.42Å; T401-T405 PolarHBondContact O-OG1 3.42Å; L402-T405 PolarHBondContact O-N 3.33Å
406	I	96.5	Very high	92.5	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-50.2	177.4	-67.1	167.2	0	0	0	110.8	L86 V87 T90 M274 L278 L402 K408 D409	L86-I406 HydrophobicContact CB-CG2 4.29Å; L86-I406 HydrophobicContact CD1-CG2 4.07Å; V87-I406 HydrophobicContact CG2-CD1 4.16Å; T90-I406 HydrophobicContact CG2-CG1 4.24Å; T90-I406 WeakPolarHBondContact OG1-CG1 3.49Å; M274-I406 HydrophobicContact CE-CG2 3.75Å; M274-I406 HydrophobicContact CG-CG2 4.4Å; M274-I406 HydrophobicContact SD-CG2 4.22Å; L278-I406 HydrophobicContact CD1-CD1 4.22Å; L402-I406 WeakPolarHBondContact O-CG1 3.47Å; L402-I406 PolarHBondContact O-N 3.06Å; I406-K408 VanDerWaalsContact C-N 3.26Å; I406-K408 PolarHBondContact O-N 3.44Å; I406-D409 PolarHBondContact O-N 3.43Å
407	C	96.3	Very high	91.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-74.8	-15.4	-175.1	-63.6	0	0	0	0	113.7	N267 C270 L271 M274 P403 D409 T413	N267-C407 PolarHBondContact ND2-O 3.19Å; C270-C407 HydrophobicContact CB-CB 3.79Å; C270-C407 WeakPolarHBondContact CB-SG 3.46Å; C270-C407 PolarHBondContact O-SG 3.4Å; C270-C407 VanDerWaalsContact O-SG 3.41Å; C270-C407 VanDerWaalsContact SG-CA 3.53Å; C270-C407 WeakPolarHBondContact SG-CB 3.23Å; C270-C407 CovalentContact SG-SG 2.04Å; C270-C407 PolarHBondContact SG-SG 2.89Å; L271-C407 HydrophobicContact CD2-CB 3.9Å; L271-C407 HydrophobicContact CG-CB 4.22Å; L271-C407 PolarHBondContact N-SG 3.29Å; L271-C407 VanDerWaalsContact N-SG 3.43Å; M274-C407 VanDerWaalsContact CG-SG 3.55Å; P403-C407 WeakPolarHBondContact O-CB 3.48Å; P403-C407 PolarHBondContact O-N 2.97Å; P403-C407 PolarHBondContact O-SG 2.93Å; C407-D409 VanDerWaalsContact C-N 3.3Å; C407-T413 HydrophobicContact CB-CG2 4.06Å; C407-T413 WeakPolarHBondContact O-CG2 3.46Å; C407-T413 PolarHBondContact O-OG1 2.82Å
408	K	93.7	Very high	91	Very high	167 Å²	167	55.2 Å²	55.2	73%	0.726	29%	0.286	S	S	*	.	H	α-helix	trans	-72.5	-22.2	173	-175.4	175.5	178.3	-177.6	0	112.8	Y404 I406 E410	Y404-K408 WeakPolarHBondContact O-CB 3.47Å; Y404-K408 PolarHBondContact O-N 3.38Å; I406-K408 VanDerWaalsContact C-N 3.26Å; I406-K408 PolarHBondContact O-N 3.44Å; K408-E410 PolarHBondContact O-N 2.04Å
409	D	90.4	Very high	90.3	Very high	54 Å²	54	56.9 Å²	56.9	29%	0.289	30%	0.295	S	S	.	.			trans	-69.1	120.7	177.8	-168.5	-17.2	0	0	0	110.8	I406 C407 R411 V412 T413	I406-D409 PolarHBondContact O-N 3.43Å; C407-D409 VanDerWaalsContact C-N 3.3Å; D409-R411 PolarHBondContact O-N 3.41Å; D409-R411 VanDerWaalsContact OD1-CB 3.26Å; D409-R411 WeakPolarHBondContact OD1-CB 3.03Å; D409-R411 VanDerWaalsContact OD1-CG 3.22Å; D409-R411 WeakPolarHBondContact OD1-CG 3.25Å; D409-R411 PolarHBondContact OD1-N 2.82Å; D409-V412 HydrophobicContact CB-CG2 4.15Å; D409-V412 WeakPolarHBondContact O-CA 3.34Å; D409-V412 WeakPolarHBondContact O-CB 3.24Å; D409-V412 PolarHBondContact O-N 3.27Å; D409-T413 PolarHBondContact O-N 3.34Å
410	E	86.9	Confident	89.8	Confident	152 Å²	152	62 Å²	62	71%	0.71	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.3	177.1	-64	-178.3	176	0	0	112.8	K408 T413	K408-E410 PolarHBondContact O-N 2.04Å; E410-T413 CarbonylContact C-O 3.46Å; E410-T413 VanDerWaalsContact O-O 3.08Å
411	R	87.3	Confident	89.6	Confident	187 Å²	187	66.4 Å²	66.4	71%	0.706	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.9	169.2	-61.1	171.5	-173.4	179.4	3.5	112	R264 D409	R264-R411 PolarHBondContact NH1-O 3.43Å; D409-R411 PolarHBondContact O-N 3.41Å; D409-R411 VanDerWaalsContact OD1-CB 3.26Å; D409-R411 WeakPolarHBondContact OD1-CB 3.03Å; D409-R411 VanDerWaalsContact OD1-CG 3.22Å; D409-R411 WeakPolarHBondContact OD1-CG 3.25Å; D409-R411 PolarHBondContact OD1-N 2.82Å
412	V	89.7	Confident	89.6	Confident	9 Å²	9	63.8 Å²	63.8	6%	0.055	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-47	-176.9	-176.6	0	0	0	0	110.8	L86 P265 D409	L86-V412 HydrophobicContact CD1-CG2 3.95Å; L86-V412 HydrophobicContact CD2-CG2 3.76Å; P265-V412 WeakPolarHBondContact CD-O 3.47Å; D409-V412 HydrophobicContact CB-CG2 4.15Å; D409-V412 WeakPolarHBondContact O-CA 3.34Å; D409-V412 WeakPolarHBondContact O-CB 3.24Å; D409-V412 PolarHBondContact O-N 3.27Å
413	T	92.7	Very high	89.6	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.006	32%	0.321	C	S	.	.	S	Bend	trans	-117.9	168	-175.3	73.2	0	0	0	0	112.6	P265 C270 C407 D409 E410 G415	P265-T413 WeakPolarHBondContact O-CA 3.14Å; P265-T413 WeakPolarHBondContact O-CB 3.47Å; C270-T413 HydrophobicContact CB-CG2 3.54Å; C407-T413 HydrophobicContact CB-CG2 4.06Å; C407-T413 WeakPolarHBondContact O-CG2 3.46Å; C407-T413 PolarHBondContact O-OG1 2.82Å; D409-T413 PolarHBondContact O-N 3.34Å; E410-T413 CarbonylContact C-O 3.46Å; E410-T413 VanDerWaalsContact O-O 3.08Å; T413-G415 PolarHBondContact O-N 3.41Å; T413-G415 VanDerWaalsContact O-N 3.1Å; T413-G415 PolarHBondContact OG1-N 3.29Å
414	A	88.2	Confident	89.6	Confident	25 Å²	25	64.8 Å²	64.8	21%	0.207	33%	0.327	C	S	.	.			trans	-69.6	3	174	0	0	0	0	0	113.9	R264 P265 N418 C422	R264-A414 HydrophobicContact CB-CB 3.97Å; P265-A414 PolarHBondContact O-N 2.89Å; A414-N418 HydrophobicContact CB-CB 4.23Å; A414-C422 HydrophobicContact CB-CB 3.76Å
415	G	84.1	Confident	89.5	Confident	7 Å²	7	60 Å²	60	7%	0.072	31%	0.308	C	S	.	.			trans	74	170	-168.2	0	0	0	0	0	112.3	T413 S417	T413-G415 PolarHBondContact O-N 3.41Å; T413-G415 VanDerWaalsContact O-N 3.1Å; T413-G415 PolarHBondContact OG1-N 3.29Å; G415-S417 VanDerWaalsContact C-N 3.26Å; G415-S417 PolarHBondContact O-N 3.02Å
416	T	80.7	Confident	89.4	Confident	102 Å²	102	61.3 Å²	61.3	63%	0.626	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.8	179.1	55.4	0	0	0	0	113.3	N267	N267-T416 HydrophobicContact CB-CG2 4.23Å
417	S	78.8	Confident	89.2	Confident	113 Å²	113	63.8 Å²	63.8	79%	0.79	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-16.5	-179.9	52	0	0	0	0	113.3	G415	G415-S417 VanDerWaalsContact C-N 3.26Å; G415-S417 PolarHBondContact O-N 3.02Å
418	N	80.4	Confident	89.1	Confident	66 Å²	66	68.3 Å²	68.3	35%	0.353	35%	0.346	S	S	.	.			trans	-117.4	40.3	-171.5	-156.1	28.2	0	0	0	112.8	A414 E420 E421	A414-N418 HydrophobicContact CB-CB 4.23Å; N418-E420 PolarHBondContact O-N 3.08Å; N418-E420 VanDerWaalsContact O-N 3.13Å; N418-E421 PolarHBondContact O-N 3.4Å
419	D	81.8	Confident	89.1	Confident	56 Å²	56	61.9 Å²	61.9	30%	0.299	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.6	-173.9	-73.2	-10.5	0	0	0	114.3	C422 R430	D419-C422 PolarHBondContact O-SG 2.83Å; D419-C422 VanDerWaalsContact O-SG 3.4Å; D419-R430 VanDerWaalsContact O-CA 3.26Å; D419-R430 WeakPolarHBondContact O-CA 3.11Å
420	E	84.9	Confident	89.3	Confident	108 Å²	108	64.9 Å²	64.9	51%	0.505	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-25.1	179.6	-61.6	-73.9	-160.7	0	0	113.2	N418 A429 R430	N418-E420 PolarHBondContact O-N 3.08Å; N418-E420 VanDerWaalsContact O-N 3.13Å; E420-A429 CarbonylContact O-C 3.56Å; E420-A429 WeakPolarHBondContact O-CA 3.03Å; E420-R430 VanDerWaalsContact CD-NE 3.32Å; E420-R430 IonicContact OE1-CZ 2.8Å; E420-R430 IonicContact OE1-NE 3.34Å; E420-R430 PolarHBondContact OE1-NE 2.82Å; E420-R430 IonicContact OE1-NH2 2.69Å; E420-R430 PolarHBondContact OE1-NH2 3.29Å; E420-R430 WeakPolarHBondContact OE2-CB 3.07Å; E420-R430 IonicContact OE2-CZ 3.23Å; E420-R430 IonicContact OE2-NE 2.87Å; E420-R430 PolarHBondContact OE2-NE 2.84Å; E420-R430 IonicContact OE2-NH2 3.13Å
421	E	90.9	Very high	89.8	Confident	105 Å²	105	58.5 Å²	58.5	49%	0.491	30%	0.3	S	S	.	.	S	Bend	trans	-122.1	36.2	-168.8	-81.4	-159.1	-164.7	0	0	112.6	N418 K428	N418-E421 PolarHBondContact O-N 3.4Å; E421-K428 VanDerWaalsContact CB-CE 3.45Å; E421-K428 WeakPolarHBondContact O-CE 3.48Å; E421-K428 WeakPolarHBondContact OE2-CE 3.26Å; E421-K428 IonicContact OE2-NZ 2.62Å; E421-K428 PolarHBondContact OE2-NZ 2.71Å
422	C	95.2	Very high	90.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-113.7	165.8	-179.7	55.3	0	0	0	0	111.6	C266 A414 D419 K428 A429	C266-C422 WeakPolarHBondContact CA-SG 3.34Å; C266-C422 HydrophobicContact CB-CB 3.87Å; C266-C422 WeakPolarHBondContact CB-SG 3.44Å; C266-C422 VanDerWaalsContact SG-C 3.51Å; C266-C422 WeakPolarHBondContact SG-CB 3.34Å; C266-C422 CovalentContact SG-SG 2.02Å; C266-C422 PolarHBondContact SG-SG 2.88Å; A414-C422 HydrophobicContact CB-CB 3.76Å; D419-C422 PolarHBondContact O-SG 2.83Å; D419-C422 VanDerWaalsContact O-SG 3.4Å; C422-K428 CarbonylContact O-C 3.55Å; C422-K428 WeakPolarHBondContact O-CA 3.01Å; C422-A429 PolarHBondContact O-N 3.16Å
423	W	96.2	Very high	90.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-78.3	123	175.3	171.8	-111.6	0	0	0	110.3	K250 M251 C254 P255 R258 V263 R264 P265 C266 Y269 G425 H426	K250-W423 PolarHBondContact O-NE1 3.04Å; M251-W423 PolarHBondContact O-NE1 3.47Å; C254-W423 HydrophobicContact CB-CH2 4.44Å; C254-W423 HydrophobicContact CB-CZ2 3.77Å; P255-W423 HydrophobicContact CG-CB 4.08Å; P255-W423 HydrophobicContact CG-CD2 3.59Å; P255-W423 HydrophobicContact CG-CE3 4.13Å; P255-W423 HydrophobicContact CG-CG 3.55Å; P255-W423 HydrophobicContact CG-CZ2 4.47Å; R258-W423 HydrophobicContact CG-CH2 4.12Å; R258-W423 HydrophobicContact CG-CZ3 4.45Å; V263-W423 HydrophobicContact CG1-CB 3.88Å; R264-W423 PolarHBondContact O-N 3.43Å; P265-W423 WeakPolarHBondContact CA-O 3.44Å; C266-W423 PolarHBondContact N-O 3.01Å; C266-W423 PolarHBondContact SG-O 3.28Å; Y269-W423 WeakPolarHBondContact CD1-O 3.34Å; Y269-W423 AromaticContact CE1-CD1 3.71Å; Y269-W423 AromaticContact CE1-NE1 3.81Å; W423-G425 VanDerWaalsContact CE2-CA 3.45Å; W423-G425 VanDerWaalsContact CZ2-O 3.24Å; W423-G425 WeakPolarHBondContact CZ2-O 3.42Å; W423-H426 VanDerWaalsContact CH2-C 3.41Å; W423-H426 WeakPolarHBondContact CH2-O 3.41Å; W423-H426 VanDerWaalsContact CZ3-O 3.32Å; W423-H426 WeakPolarHBondContact CZ3-O 3.41Å
424	N	95.3	Very high	90.7	Very high	28 Å²	28	66.6 Å²	66.6	15%	0.15	35%	0.354	C	S	.	.			trans	-105	9.7	-179.3	69	6.4	0	0	0	114.1	H426 S427 A429 R430 Y431	N424-H426 PolarHBondContact OD1-N 3.07Å; N424-S427 PolarHBondContact N-O 2.83Å; N424-S427 PolarHBondContact OD1-N 2.78Å; N424-S427 PolarHBondContact OD1-O 2.93Å; N424-A429 WeakPolarHBondContact CB-O 3.29Å; N424-R430 PolarHBondContact ND2-O 3.41Å; N424-R430 VanDerWaalsContact ND2-O 3.08Å; N424-Y431 HydrophobicContact CB-CD2 4.09Å
425	G	94.1	Very high	91.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.358	C	S	.	.	S	Bend	trans	99.8	-13.5	-176.1	0	0	0	0	0	114.9	K250 W423	K250-G425 WeakPolarHBondContact CE-O 3.34Å; W423-G425 VanDerWaalsContact CE2-CA 3.45Å; W423-G425 VanDerWaalsContact CZ2-O 3.24Å; W423-G425 WeakPolarHBondContact CZ2-O 3.42Å
426	H	92.7	Very high	91.7	Very high	106 Å²	106	69.5 Å²	69.5	49%	0.491	36%	0.363	S	S	.	.	S	Bend	trans	-129.9	-43.7	179.9	-68.6	-88.1	0	0	0	113.4	K250 R258 W423 N424	K250-H426 PolarHBondContact NZ-NE2 3.21Å; R258-H426 PolarHBondContact NH2-O 2.86Å; W423-H426 VanDerWaalsContact CH2-C 3.41Å; W423-H426 WeakPolarHBondContact CH2-O 3.41Å; W423-H426 VanDerWaalsContact CZ3-O 3.32Å; W423-H426 WeakPolarHBondContact CZ3-O 3.41Å; N424-H426 PolarHBondContact OD1-N 3.07Å
427	S	92.9	Very high	92.4	Very high	53 Å²	53	69.9 Å²	69.9	37%	0.371	36%	0.361	S	S	.	.	S	Bend	trans	-149.3	176.2	-179.1	64.4	0	0	0	0	111.4	N424 A429	N424-S427 PolarHBondContact N-O 2.83Å; N424-S427 PolarHBondContact OD1-N 2.78Å; N424-S427 PolarHBondContact OD1-O 2.93Å; S427-A429 PolarHBondContact O-N 3.25Å
428	K	94.1	Very high	93.3	Very high	95 Å²	95	67.2 Å²	67.2	41%	0.413	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-79.4	95.3	168.7	-174.9	-174.6	177.9	-168.4	0	108.4	L260 V263 E421 C422	L260-K428 HydrophobicContact CD1-CB 4.47Å; V263-K428 HydrophobicContact CG1-CB 4.34Å; V263-K428 HydrophobicContact CG1-CD 4.42Å; V263-K428 HydrophobicContact CG1-CG 4.01Å; V263-K428 HydrophobicContact CG2-CD 3.98Å; V263-K428 HydrophobicContact CG2-CG 4.38Å; E421-K428 VanDerWaalsContact CB-CE 3.45Å; E421-K428 WeakPolarHBondContact O-CE 3.48Å; E421-K428 WeakPolarHBondContact OE2-CE 3.26Å; E421-K428 IonicContact OE2-NZ 2.62Å; E421-K428 PolarHBondContact OE2-NZ 2.71Å; C422-K428 CarbonylContact O-C 3.55Å; C422-K428 WeakPolarHBondContact O-CA 3.01Å
429	A	94.1	Very high	93.9	Very high	32 Å²	32	64.4 Å²	64.4	26%	0.264	32%	0.324	S	S	.	.	S	Bend	trans	-166	171	-178.4	0	0	0	0	0	110.1	E420 C422 N424 S427	E420-A429 CarbonylContact O-C 3.56Å; E420-A429 WeakPolarHBondContact O-CA 3.03Å; C422-A429 PolarHBondContact O-N 3.16Å; N424-A429 WeakPolarHBondContact CB-O 3.29Å; S427-A429 PolarHBondContact O-N 3.25Å
430	R	95	Very high	94.6	Very high	117 Å²	117	61.9 Å²	61.9	44%	0.442	31%	0.311	S	S	.	.			trans	-56.1	141.6	175	-174.8	-177.3	-78.9	-112.2	6	113	D419 E420 N424 L432	D419-R430 VanDerWaalsContact O-CA 3.26Å; D419-R430 WeakPolarHBondContact O-CA 3.11Å; E420-R430 VanDerWaalsContact CD-NE 3.32Å; E420-R430 IonicContact OE1-CZ 2.8Å; E420-R430 IonicContact OE1-NE 3.34Å; E420-R430 PolarHBondContact OE1-NE 2.82Å; E420-R430 IonicContact OE1-NH2 2.69Å; E420-R430 PolarHBondContact OE1-NH2 3.29Å; E420-R430 WeakPolarHBondContact OE2-CB 3.07Å; E420-R430 IonicContact OE2-CZ 3.23Å; E420-R430 IonicContact OE2-NE 2.87Å; E420-R430 PolarHBondContact OE2-NE 2.84Å; E420-R430 IonicContact OE2-NH2 3.13Å; N424-R430 PolarHBondContact ND2-O 3.41Å; N424-R430 VanDerWaalsContact ND2-O 3.08Å; R430-L432 HydrophobicContact CG-CD2 4.32Å
431	Y	96.3	Very high	95.1	Very high	18 Å²	18	61.4 Å²	61.4	7%	0.071	32%	0.315	C	S	.	.			trans	-86.2	117.9	168.2	-174.5	-102.3	0	0	0	110	N268 Y269 N272 N424 P433 E448	N268-Y431 HydrophobicContact CB-CD1 3.66Å; N268-Y431 HydrophobicContact CB-CE1 4.14Å; Y269-Y431 HydrophobicContact CD2-CD2 4.11Å; Y269-Y431 AromaticContact CD2-CE2 3.57Å; Y269-Y431 HydrophobicContact CD2-CE2 3.57Å; Y269-Y431 HydrophobicContact CE2-CE2 4.48Å; Y269-Y431 AromaticContact CG-CD2 3.94Å; Y269-Y431 HydrophobicContact CG-CD2 3.94Å; Y269-Y431 AromaticContact CG-CE2 3.89Å; Y269-Y431 HydrophobicContact CG-CE2 3.89Å; N272-Y431 PolarHBondContact ND2-OH 2.91Å; N424-Y431 HydrophobicContact CB-CD2 4.09Å; Y431-P433 HydrophobicContact CD2-CG 4.47Å; Y431-P433 HydrophobicContact CE1-CB 3.81Å; Y431-P433 HydrophobicContact CE1-CG 4.08Å; Y431-P433 WeakPolarHBondContact CE1-O 3.45Å; Y431-P433 HydrophobicContact CE2-CB 4.39Å; Y431-P433 HydrophobicContact CE2-CG 3.84Å; Y431-P433 WeakPolarHBondContact OH-CB 3.31Å; Y431-E448 HydrophobicContact CE2-CG 4.49Å; Y431-E448 WeakPolarHBondContact CE2-OE1 3.41Å; Y431-E448 VanDerWaalsContact CZ-OE1 3.27Å; Y431-E448 VanDerWaalsContact OH-CD 3.28Å; Y431-E448 VanDerWaalsContact OH-CG 3.28Å; Y431-E448 WeakPolarHBondContact OH-CG 3.34Å; Y431-E448 PolarHBondContact OH-OE1 2.85Å
432	L	95.9	Very high	95.4	Very high	145 Å²	145	59.6 Å²	59.6	76%	0.759	31%	0.309	S	S	*	.			trans	-90.7	-35.7	-175.1	-60.6	177.4	0	0	0	115.2	R430	R430-L432 HydrophobicContact CG-CD2 4.32Å
433	P	96.4	Very high	95.4	Very high	50 Å²	50	59.6 Å²	59.6	33%	0.325	31%	0.309	S	S	.	.	S	Bend	trans	-60.6	146	-177.5	-23	31.9	0	0	0	113.4	Y431 P447	Y431-P433 HydrophobicContact CD2-CG 4.47Å; Y431-P433 HydrophobicContact CE1-CB 3.81Å; Y431-P433 HydrophobicContact CE1-CG 4.08Å; Y431-P433 WeakPolarHBondContact CE1-O 3.45Å; Y431-P433 HydrophobicContact CE2-CB 4.39Å; Y431-P433 HydrophobicContact CE2-CG 3.84Å; Y431-P433 WeakPolarHBondContact OH-CB 3.31Å; P433-P447 HydrophobicContact CB-CB 4.47Å; P433-P447 HydrophobicContact CB-CG 3.84Å; P433-P447 HydrophobicContact CG-CG 4.38Å
434	E	95.7	Very high	95.4	Very high	172 Å²	172	64.7 Å²	64.7	80%	0.804	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-71.9	157.4	176.6	-65	-173.4	172.5	0	0	111.8	N272 M436	N272-E434 PolarHBondContact ND2-O 2.74Å; E434-M436 PolarHBondContact O-N 3.02Å
435	I	96.5	Very high	95.4	Very high	59 Å²	59	69.5 Å²	69.5	30%	0.303	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-77.6	125.5	179.6	-57.8	162.3	0	0	0	109.2	N268 L271 N272 K275	N268-I435 HydrophobicContact CB-CD1 4.44Å; N268-I435 HydrophobicContact CB-CG1 4.11Å; L271-I435 HydrophobicContact CB-CG2 4.17Å; L271-I435 HydrophobicContact CD1-CD1 3.7Å; L271-I435 HydrophobicContact CD1-CG1 4.3Å; L271-I435 HydrophobicContact CD1-CG2 4.49Å; N272-I435 VanDerWaalsContact OD1-CA 3.3Å; N272-I435 WeakPolarHBondContact OD1-CA 3.45Å; K275-I435 HydrophobicContact CD-CG2 4.16Å
436	M	97.2	Very high	95.6	Very high	35 Å²	35	70.1 Å²	70.1	17%	0.172	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-64.3	153.5	176.1	-59	-55.3	-64.3	0	0	111.6	N272 K275 E434 N442 N445 N446	N272-M436 WeakPolarHBondContact OD1-CG 3.49Å; N272-M436 PolarHBondContact OD1-N 3.39Å; K275-M436 WeakPolarHBondContact CD-O 3.27Å; K275-M436 WeakPolarHBondContact CE-O 3.44Å; K275-M436 PolarHBondContact NZ-O 2.67Å; E434-M436 PolarHBondContact O-N 3.02Å; M436-N442 WeakPolarHBondContact CE-O 3.35Å; M436-N445 HydrophobicContact CE-CB 4.07Å; M436-N446 HydrophobicContact CG-CB 3.97Å
437	N	96.8	Very high	95.8	Very high	109 Å²	109	68.4 Å²	68.4	58%	0.583	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-73.6	166.7	171.8	-69.7	-39.9	0	0	0	111.3	N442 Q443	N437-N442 HydrophobicContact CB-CB 3.81Å; N437-Q443 PolarHBondContact O-NE2 3.1Å
438	D	95.7	Very high	96	Very high	58 Å²	58	67.3 Å²	67.3	31%	0.31	35%	0.352	S	S	.	.	S	Bend	trans	-78.6	156.9	-177.8	-51.9	-37.9	0	0	0	112.1	K275 A282 N442	K275-D438 WeakPolarHBondContact CE-OD1 3.42Å; K275-D438 IonicContact NZ-OD1 3.62Å; K275-D438 PolarHBondContact NZ-OD1 2.83Å; A282-D438 HydrophobicContact CB-CB 4.27Å; D438-N442 PolarHBondContact O-ND2 3.15Å
439	G	95	Very high	96.2	Very high	6 Å²	6	63 Å²	63	6%	0.062	33%	0.333	C	S	.	.	S	Bend	trans	90.5	162	175.8	0	0	0	0	0	114.2	D283 N442 Q443	D283-G439 VanDerWaalsContact OD1-CA 3.26Å; D283-G439 WeakPolarHBondContact OD1-CA 3.27Å; G439-N442 PolarHBondContact O-N 3.24Å; G439-Q443 WeakPolarHBondContact O-CG 3.35Å; G439-Q443 PolarHBondContact O-NE2 2.77Å
440	L	95.3	Very high	96.1	Very high	4 Å²	4	68 Å²	68	2%	0.021	35%	0.351	C	S	.	.	S	Bend	trans	-63.5	-46.5	-169.9	-175.1	65.8	0	0	0	112.7	A279 D283 N442 Q443 V451 I453 P456	A279-L440 HydrophobicContact CB-CD1 4.09Å; A279-L440 PolarHBondContact O-N 3.41Å; D283-L440 PolarHBondContact OD1-N 3.49Å; D283-L440 WeakPolarHBondContact OD2-CB 3.48Å; L440-N442 PolarHBondContact O-N 2.94Å; L440-Q443 PolarHBondContact O-N 3.27Å; L440-V451 HydrophobicContact CD1-CG1 3.48Å; L440-V451 VanDerWaalsContact CD1-CG1 3.48Å; L440-I453 HydrophobicContact CG-CB 4.41Å; L440-I453 HydrophobicContact CG-CG2 4.47Å; L440-I453 WeakPolarHBondContact O-CG2 3.13Å; L440-P456 HydrophobicContact CD2-CB 3.74Å
441	T	95.4	Very high	96.1	Very high	97 Å²	97	63.8 Å²	63.8	60%	0.595	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-61.3	-29.6	-177.6	51.2	0	0	0	0	112.9	Q443	T441-Q443 VanDerWaalsContact C-N 3.28Å; T441-Q443 PolarHBondContact O-N 3.33Å
442	N	96.5	Very high	96	Very high	67 Å²	67	66 Å²	66	36%	0.358	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-80.1	-6.1	179.8	-72.4	-43.9	0	0	0	113.4	M436 N437 D438 G439 L440	M436-N442 WeakPolarHBondContact CE-O 3.35Å; N437-N442 HydrophobicContact CB-CB 3.81Å; D438-N442 PolarHBondContact O-ND2 3.15Å; G439-N442 PolarHBondContact O-N 3.24Å; L440-N442 PolarHBondContact O-N 2.94Å
443	Q	96.9	Very high	95.8	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-91.8	-0.1	179.7	-52	-42.9	-56.6	0	0	114.3	A279 N437 G439 L440 T441 N445 N446 V451	A279-Q443 HydrophobicContact CB-CG 3.47Å; A279-Q443 VanDerWaalsContact CB-CG 3.47Å; N437-Q443 PolarHBondContact O-NE2 3.1Å; G439-Q443 WeakPolarHBondContact O-CG 3.35Å; G439-Q443 PolarHBondContact O-NE2 2.77Å; L440-Q443 PolarHBondContact O-N 3.27Å; T441-Q443 VanDerWaalsContact C-N 3.28Å; T441-Q443 PolarHBondContact O-N 3.33Å; Q443-N445 PolarHBondContact O-N 3.39Å; Q443-N445 VanDerWaalsContact O-N 3.15Å; Q443-N446 HydrophobicContact CB-CB 4.27Å; Q443-N446 VanDerWaalsContact O-CB 3.3Å; Q443-N446 WeakPolarHBondContact O-CB 3.44Å; Q443-N446 PolarHBondContact O-N 2.81Å; Q443-N446 PolarHBondContact OE1-ND2 2.9Å; Q443-V451 HydrophobicContact CB-CB 3.79Å; Q443-V451 HydrophobicContact CB-CG1 4.02Å; Q443-V451 HydrophobicContact CB-CG2 3.81Å; Q443-V451 HydrophobicContact CG-CG2 4.39Å
444	I	95.4	Very high	95.7	Very high	106 Å²	106	64.7 Å²	64.7	54%	0.544	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.2	-179.1	-169.7	174.1	0	0	0	112.9	I453	I444-I453 HydrophobicContact CB-CD1 4.22Å; I444-I453 HydrophobicContact CB-CG2 4.15Å; I444-I453 HydrophobicContact CD1-CD1 3.83Å; I444-I453 HydrophobicContact CG1-CD1 4.25Å
445	N	96	Very high	95.5	Very high	129 Å²	129	65.3 Å²	65.3	69%	0.69	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	19.3	179.7	-61.1	-34.4	0	0	0	112.3	M436 Q443 P447	M436-N445 HydrophobicContact CE-CB 4.07Å; Q443-N445 PolarHBondContact O-N 3.39Å; Q443-N445 VanDerWaalsContact O-N 3.15Å; N445-P447 WeakPolarHBondContact O-CD 3.37Å
446	N	97.5	Very high	95.3	Very high	14 Å²	14	64.6 Å²	64.6	8%	0.075	34%	0.34	C	S	.	.			trans	-65.4	121.8	179.8	-173.8	-42.8	0	0	0	109.5	N272 M436 Q443 E448 V449	N272-N446 PolarHBondContact O-ND2 3.34Å; M436-N446 HydrophobicContact CG-CB 3.97Å; Q443-N446 HydrophobicContact CB-CB 4.27Å; Q443-N446 VanDerWaalsContact O-CB 3.3Å; Q443-N446 WeakPolarHBondContact O-CB 3.44Å; Q443-N446 PolarHBondContact O-N 2.81Å; Q443-N446 PolarHBondContact OE1-ND2 2.9Å; N446-E448 PolarHBondContact O-N 2.89Å; N446-E448 PolarHBondContact OD1-N 2.77Å; N446-V449 PolarHBondContact OD1-N 3.1Å
447	P	96.9	Very high	95.1	Very high	70 Å²	70	65.3 Å²	65.3	46%	0.455	35%	0.345	S	S	.	.	S	Bend	trans	-71.1	-18.2	-174.5	26.7	-32.9	0	0	0	113.5	P433 N445	P433-P447 HydrophobicContact CB-CB 4.47Å; P433-P447 HydrophobicContact CB-CG 3.84Å; P433-P447 HydrophobicContact CG-CG 4.38Å; N445-P447 WeakPolarHBondContact O-CD 3.37Å
448	E	97.6	Very high	95	Very high	30 Å²	30	65.2 Å²	65.2	14%	0.14	35%	0.348	C	S	.	.	S	Bend	trans	-107.4	-26.4	-170	-49.8	-49.8	149.6	0	0	114.1	A247 Y269 N272 V273 Y431 N446	A247-E448 WeakPolarHBondContact CB-O 3.17Å; Y269-E448 HydrophobicContact CD2-CG 3.74Å; Y269-E448 HydrophobicContact CE2-CB 4.08Å; Y269-E448 VanDerWaalsContact CE2-CD 3.47Å; Y269-E448 HydrophobicContact CE2-CG 3.63Å; Y269-E448 WeakPolarHBondContact CE2-OE2 3.17Å; N272-E448 HydrophobicContact CB-CB 4.5Å; N272-E448 HydrophobicContact CB-CG 3.8Å; V273-E448 HydrophobicContact CG2-CB 3.78Å; V273-E448 HydrophobicContact CG2-CG 4.26Å; Y431-E448 HydrophobicContact CE2-CG 4.49Å; Y431-E448 WeakPolarHBondContact CE2-OE1 3.41Å; Y431-E448 VanDerWaalsContact CZ-OE1 3.27Å; Y431-E448 VanDerWaalsContact OH-CD 3.28Å; Y431-E448 VanDerWaalsContact OH-CG 3.28Å; Y431-E448 WeakPolarHBondContact OH-CG 3.34Å; Y431-E448 PolarHBondContact OH-OE1 2.85Å; N446-E448 PolarHBondContact O-N 2.89Å; N446-E448 PolarHBondContact OD1-N 2.77Å
449	V	97.2	Very high	94.9	Very high	3 Å²	3	66 Å²	66	2%	0.018	35%	0.349	C	S	.	.			trans	-129.8	119.9	-175.2	-166.5	0	0	0	0	109.8	A247 N446 V451	A247-V449 HydrophobicContact CB-CB 4.48Å; A247-V449 HydrophobicContact CB-CG2 3.71Å; N446-V449 PolarHBondContact OD1-N 3.1Å; V449-V451 HydrophobicContact CB-CG2 4.08Å; V449-V451 HydrophobicContact CG1-CG2 3.75Å; V449-V451 PolarHBondContact O-N 3.17Å; V449-V451 VanDerWaalsContact O-N 3.16Å
450	E	93.9	Very high	94.9	Very high	138 Å²	138	65.7 Å²	65.7	65%	0.645	35%	0.346	S	S	*	.			trans	-71.8	105.9	168.4	-68.1	170.5	173.9	0	0	109.3	R246	R246-E450 IonicContact CZ-OE2 3.04Å; R246-E450 VanDerWaalsContact CZ-OE2 3.31Å; R246-E450 IonicContact NH1-OE1 2.65Å; R246-E450 IonicContact NH1-OE2 3.91Å; R246-E450 PolarHBondContact NH1-OE2 3.18Å; R246-E450 IonicContact NH2-OE2 3.91Å; R246-E450 PolarHBondContact NH2-OE2 3.1Å
451	V	94.6	Very high	94.9	Very high	29 Å²	29	70.9 Å²	70.9	18%	0.176	37%	0.365	C	S	.	.			trans	-112.9	122.5	-179.5	-177.2	0	0	0	0	110.1	L440 Q443 V449 I453	L440-V451 HydrophobicContact CD1-CG1 3.48Å; L440-V451 VanDerWaalsContact CD1-CG1 3.48Å; Q443-V451 HydrophobicContact CB-CB 3.79Å; Q443-V451 HydrophobicContact CB-CG1 4.02Å; Q443-V451 HydrophobicContact CB-CG2 3.81Å; Q443-V451 HydrophobicContact CG-CG2 4.39Å; V449-V451 HydrophobicContact CB-CG2 4.08Å; V449-V451 HydrophobicContact CG1-CG2 3.75Å; V449-V451 PolarHBondContact O-N 3.17Å; V449-V451 VanDerWaalsContact O-N 3.16Å; V451-I453 PolarHBondContact O-N 3.26Å
452	D	92.8	Very high	95	Very high	64 Å²	64	71.8 Å²	71.8	34%	0.342	36%	0.363	S	S	.	.			trans	-82.9	96.7	172.8	-173	-14.1	0	0	0	110.6	T454 R455	D452-T454 PolarHBondContact O-N 3.34Å; D452-T454 WeakPolarHBondContact OD1-CB 3.18Å; D452-T454 PolarHBondContact OD1-N 3.04Å; D452-T454 PolarHBondContact OD1-OG1 3.09Å; D452-R455 PolarHBondContact O-N 3.49Å; D452-R455 IonicContact OD2-CZ 3.72Å; D452-R455 IonicContact OD2-NE 3.64Å; D452-R455 PolarHBondContact OD2-NE 3.17Å; D452-R455 IonicContact OD2-NH2 2.76Å; D452-R455 PolarHBondContact OD2-NH2 3.39Å
453	I	93.3	Very high	95	Very high	56 Å²	56	68.8 Å²	68.8	29%	0.287	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.4	-178.6	66.8	162	0	0	0	113.7	L440 I444 V451	L440-I453 HydrophobicContact CG-CB 4.41Å; L440-I453 HydrophobicContact CG-CG2 4.47Å; L440-I453 WeakPolarHBondContact O-CG2 3.13Å; I444-I453 HydrophobicContact CB-CD1 4.22Å; I444-I453 HydrophobicContact CB-CG2 4.15Å; I444-I453 HydrophobicContact CD1-CD1 3.83Å; I444-I453 HydrophobicContact CG1-CD1 4.25Å; V451-I453 PolarHBondContact O-N 3.26Å
454	T	93.2	Very high	95.1	Very high	111 Å²	111	69.1 Å²	69.1	68%	0.681	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.9	-177.5	71.5	0	0	0	0	112.7	D452 P456	D452-T454 PolarHBondContact O-N 3.34Å; D452-T454 WeakPolarHBondContact OD1-CB 3.18Å; D452-T454 PolarHBondContact OD1-N 3.04Å; D452-T454 PolarHBondContact OD1-OG1 3.09Å; T454-P456 VanDerWaalsContact C-CD 3.41Å; T454-P456 VanDerWaalsContact O-CD 3.22Å; T454-P456 WeakPolarHBondContact O-CD 3.28Å
455	R	91.6	Very high	95.2	Very high	186 Å²	186	69 Å²	69	70%	0.702	35%	0.347	S	S	*	.	S	Bend	trans	-117.4	73.1	179.4	-70.3	-172.5	-70.7	171.4	-2.4	110.6	D452	D452-R455 PolarHBondContact O-N 3.49Å; D452-R455 IonicContact OD2-CZ 3.72Å; D452-R455 IonicContact OD2-NE 3.64Å; D452-R455 PolarHBondContact OD2-NE 3.17Å; D452-R455 IonicContact OD2-NH2 2.76Å; D452-R455 PolarHBondContact OD2-NH2 3.39Å
456	P	92.6	Very high	95.3	Very high	43 Å²	43	64.7 Å²	64.7	28%	0.279	33%	0.329	S	S	.	.			trans	-61.9	147.5	173.2	27.8	-34.3	0	0	0	110.5	L440 T454 T458 R461	L440-P456 HydrophobicContact CD2-CB 3.74Å; T454-P456 VanDerWaalsContact C-CD 3.41Å; T454-P456 VanDerWaalsContact O-CD 3.22Å; T454-P456 WeakPolarHBondContact O-CD 3.28Å; P456-T458 PolarHBondContact O-N 2.04Å; P456-R461 HydrophobicContact CB-CG 4.3Å
457	D	92.8	Very high	95.3	Very high	50 Å²	50	64 Å²	64	27%	0.267	33%	0.325	S	S	.	.			trans	-64.9	119.2	178.3	-177.3	-72.9	0	0	0	110.6	N280 F459 I460 R461	N280-D457 HydrophobicContact CB-CB 4.11Å; N280-D457 PolarHBondContact OD1-N 3.13Å; D457-F459 VanDerWaalsContact C-N 3.27Å; D457-F459 PolarHBondContact O-N 2.95Å; D457-F459 WeakPolarHBondContact OD1-CA 3.3Å; D457-F459 VanDerWaalsContact OD1-CB 3.22Å; D457-F459 WeakPolarHBondContact OD1-CB 3.41Å; D457-F459 PolarHBondContact OD1-N 3.2Å; D457-I460 HydrophobicContact CB-CB 4.02Å; D457-I460 HydrophobicContact CB-CG1 3.87Å; D457-I460 PolarHBondContact O-N 3Å; D457-I460 WeakPolarHBondContact OD1-CG1 3.49Å; D457-I460 PolarHBondContact OD1-N 2.78Å; D457-R461 WeakPolarHBondContact O-CG 3.49Å; D457-R461 PolarHBondContact O-N 2.78Å
458	T	93.9	Very high	95.4	Very high	108 Å²	108	65.8 Å²	65.8	66%	0.663	32%	0.323	S	S	*	.	H	α-helix	trans	-65.6	-31.8	-175.7	52.5	0	0	0	0	112.3	P456 R461 Q462	P456-T458 PolarHBondContact O-N 2.04Å; T458-R461 PolarHBondContact O-N 3.15Å; T458-Q462 WeakPolarHBondContact O-CG 3.1Å; T458-Q462 PolarHBondContact O-N 2.03Å
459	F	94.5	Very high	95.4	Very high	73 Å²	73	67.9 Å²	67.9	32%	0.32	34%	0.338	S	S	.	.	H	α-helix	trans	-71.2	-39.5	179.5	177.9	-98.2	0	0	0	111.2	R234 V238 D457 Q462 Q463	R234-F459 HydrophobicContact CB-CE1 3.74Å; R234-F459 HydrophobicContact CB-CZ 3.53Å; R234-F459 HydrophobicContact CG-CE1 4.47Å; R234-F459 HydrophobicContact CG-CZ 3.75Å; V238-F459 HydrophobicContact CG2-CD1 3.88Å; V238-F459 HydrophobicContact CG2-CE1 4.03Å; D457-F459 VanDerWaalsContact C-N 3.27Å; D457-F459 PolarHBondContact O-N 2.95Å; D457-F459 WeakPolarHBondContact OD1-CA 3.3Å; D457-F459 VanDerWaalsContact OD1-CB 3.22Å; D457-F459 WeakPolarHBondContact OD1-CB 3.41Å; D457-F459 PolarHBondContact OD1-N 3.2Å; F459-Q462 WeakPolarHBondContact O-CB 3.32Å; F459-Q462 PolarHBondContact O-N 3.35Å; F459-Q463 WeakPolarHBondContact O-CG 2.99Å; F459-Q463 PolarHBondContact O-N 3.39Å; F459-Q463 VanDerWaalsContact O-N 3.16Å; F459-Q463 PolarHBondContact O-NE2 3.39Å; F459-Q463 VanDerWaalsContact O-NE2 3.09Å
460	I	95.2	Very high	95.4	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-43.7	171.6	-67.4	-69.8	0	0	0	111	V235 V238 N280 Q281 L284 D457 Q462 Q463 I464	V235-I460 HydrophobicContact CG1-CD1 4.06Å; V235-I460 HydrophobicContact CG2-CD1 4.21Å; V238-I460 HydrophobicContact CG2-CD1 3.76Å; V238-I460 HydrophobicContact CG2-CG1 4.31Å; N280-I460 HydrophobicContact CB-CB 4.4Å; N280-I460 HydrophobicContact CB-CG1 4.02Å; N280-I460 HydrophobicContact CB-CG2 4.24Å; N280-I460 WeakPolarHBondContact O-CG2 3.02Å; Q281-I460 HydrophobicContact CG-CD1 4.25Å; L284-I460 HydrophobicContact CD1-CB 4.49Å; L284-I460 HydrophobicContact CD1-CD1 3.8Å; L284-I460 HydrophobicContact CD1-CG2 3.47Å; L284-I460 VanDerWaalsContact CD1-CG2 3.47Å; L284-I460 HydrophobicContact CG-CG2 4.27Å; D457-I460 HydrophobicContact CB-CB 4.02Å; D457-I460 HydrophobicContact CB-CG1 3.87Å; D457-I460 PolarHBondContact O-N 3Å; D457-I460 WeakPolarHBondContact OD1-CG1 3.49Å; D457-I460 PolarHBondContact OD1-N 2.78Å; I460-Q462 VanDerWaalsContact C-N 3.29Å; I460-Q462 PolarHBondContact O-N 3.32Å; I460-Q463 PolarHBondContact O-N 2.96Å; I460-I464 HydrophobicContact CG2-CD1 4.14Å; I460-I464 WeakPolarHBondContact O-CG1 3.43Å; I460-I464 PolarHBondContact O-N 2.92Å
461	R	95.9	Very high	95.6	Very high	113 Å²	113	61.8 Å²	61.8	43%	0.426	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-36.8	175.9	-68	-72	177.4	177.1	-6.4	112.6	D283 P456 D457 T458 I464 M465	D283-R461 IonicContact OD2-NH2 2.76Å; D283-R461 PolarHBondContact OD2-NH2 2.95Å; P456-R461 HydrophobicContact CB-CG 4.3Å; D457-R461 WeakPolarHBondContact O-CG 3.49Å; D457-R461 PolarHBondContact O-N 2.78Å; T458-R461 PolarHBondContact O-N 3.15Å; R461-I464 WeakPolarHBondContact O-CB 3.49Å; R461-I464 PolarHBondContact O-N 3.29Å; R461-M465 PolarHBondContact O-N 2.74Å
462	Q	96.7	Very high	95.7	Very high	115 Å²	115	64.8 Å²	64.8	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-41.1	172.3	-72.2	169.5	-3.8	0	0	112	T458 F459 I460 M465 A466	T458-Q462 WeakPolarHBondContact O-CG 3.1Å; T458-Q462 PolarHBondContact O-N 2.03Å; F459-Q462 WeakPolarHBondContact O-CB 3.32Å; F459-Q462 PolarHBondContact O-N 3.35Å; I460-Q462 VanDerWaalsContact C-N 3.29Å; I460-Q462 PolarHBondContact O-N 3.32Å; Q462-M465 PolarHBondContact O-N 3.04Å; Q462-A466 PolarHBondContact O-N 3.17Å
463	Q	97.4	Very high	95.8	Very high	5 Å²	5	64.5 Å²	64.5	2%	0.023	32%	0.32	C	S	.	.	H	α-helix	trans	-66.8	-38.2	177.2	-57.1	-30.6	-73.4	0	0	111.6	V231 V235 L284 F459 I460 M465 A466 L467	V231-Q463 HydrophobicContact CG1-CB 4.28Å; V231-Q463 HydrophobicContact CG2-CB 4.23Å; V235-Q463 HydrophobicContact CG2-CB 4.26Å; V235-Q463 HydrophobicContact CG2-CG 3.99Å; L284-Q463 HydrophobicContact CD2-CB 3.99Å; F459-Q463 WeakPolarHBondContact O-CG 2.99Å; F459-Q463 PolarHBondContact O-N 3.39Å; F459-Q463 VanDerWaalsContact O-N 3.16Å; F459-Q463 PolarHBondContact O-NE2 3.39Å; F459-Q463 VanDerWaalsContact O-NE2 3.09Å; I460-Q463 PolarHBondContact O-N 2.96Å; Q463-M465 VanDerWaalsContact C-N 3.32Å; Q463-M465 PolarHBondContact O-N 2.86Å; Q463-A466 PolarHBondContact O-N 2.99Å; Q463-L467 WeakPolarHBondContact O-CG 3.4Å; Q463-L467 PolarHBondContact O-N 2.93Å
464	I	97.6	Very high	96	Very high	7 Å²	7	61.9 Å²	61.9	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-46	171.9	-71.8	169.2	0	0	0	110.5	D283 L284 E287 I460 R461 L467 R468	D283-I464 HydrophobicContact CB-CD1 4.23Å; L284-I464 HydrophobicContact CD2-CG1 4.5Å; L284-I464 HydrophobicContact CG-CD1 4.41Å; L284-I464 HydrophobicContact CG-CG1 3.85Å; E287-I464 HydrophobicContact CG-CG2 3.89Å; I460-I464 HydrophobicContact CG2-CD1 4.14Å; I460-I464 WeakPolarHBondContact O-CG1 3.43Å; I460-I464 PolarHBondContact O-N 2.92Å; R461-I464 WeakPolarHBondContact O-CB 3.49Å; R461-I464 PolarHBondContact O-N 3.29Å; I464-L467 PolarHBondContact O-N 3.4Å; I464-R468 WeakPolarHBondContact O-CG 3.36Å; I464-R468 PolarHBondContact O-N 3.15Å
465	M	97.8	Very high	96.1	Very high	105 Å²	105	61 Å²	61	52%	0.517	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-41.9	177.7	-170.1	59.5	75.3	0	0	112.1	R461 Q462 Q463 L467 R468 V469	R461-M465 PolarHBondContact O-N 2.74Å; Q462-M465 PolarHBondContact O-N 3.04Å; Q463-M465 VanDerWaalsContact C-N 3.32Å; Q463-M465 PolarHBondContact O-N 2.86Å; M465-L467 VanDerWaalsContact C-N 3.33Å; M465-L467 PolarHBondContact O-N 3.27Å; M465-R468 WeakPolarHBondContact O-CB 3.27Å; M465-R468 PolarHBondContact O-N 3.34Å; M465-V469 HydrophobicContact CG-CG2 4.48Å; M465-V469 WeakPolarHBondContact O-CG2 3.43Å; M465-V469 PolarHBondContact O-N 3.49Å
466	A	97.8	Very high	96.2	Very high	37 Å²	37	54.8 Å²	54.8	31%	0.306	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-43.5	175.8	0	0	0	0	0	112	V227 Q462 Q463 M470	V227-A466 HydrophobicContact CG1-CB 4.43Å; Q462-A466 PolarHBondContact O-N 3.17Å; Q463-A466 PolarHBondContact O-N 2.99Å; A466-M470 WeakPolarHBondContact O-CB 3.14Å; A466-M470 PolarHBondContact O-N 2.82Å
467	L	98.4	Very high	96.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-43.3	174.4	-70.2	171.3	0	0	0	111.9	V227 V231 L284 E287 W288 F291 Q463 I464 M465 M470 T471	V227-L467 HydrophobicContact CG1-CD2 4.49Å; V231-L467 HydrophobicContact CG1-CD1 4.21Å; V231-L467 HydrophobicContact CG1-CD2 4.42Å; V231-L467 HydrophobicContact CG1-CG 4.41Å; V231-L467 HydrophobicContact CG2-CD2 4.12Å; V231-L467 HydrophobicContact CG2-CG 4.16Å; L284-L467 HydrophobicContact CD2-CD1 4.07Å; E287-L467 HydrophobicContact CB-CB 4.2Å; E287-L467 HydrophobicContact CB-CD1 4.27Å; W288-L467 HydrophobicContact CB-CD1 4.25Å; W288-L467 HydrophobicContact CE3-CD1 4.22Å; W288-L467 HydrophobicContact CE3-CD2 3.95Å; W288-L467 HydrophobicContact CZ3-CD2 4.38Å; F291-L467 HydrophobicContact CB-CD2 3.98Å; F291-L467 HydrophobicContact CD1-CD2 3.85Å; F291-L467 HydrophobicContact CD2-CD2 4.26Å; F291-L467 HydrophobicContact CE1-CD2 4.46Å; F291-L467 HydrophobicContact CG-CD2 3.74Å; Q463-L467 WeakPolarHBondContact O-CG 3.4Å; Q463-L467 PolarHBondContact O-N 2.93Å; I464-L467 PolarHBondContact O-N 3.4Å; M465-L467 VanDerWaalsContact C-N 3.33Å; M465-L467 PolarHBondContact O-N 3.27Å; L467-M470 PolarHBondContact O-N 3.27Å; L467-T471 VanDerWaalsContact O-CB 3.26Å; L467-T471 WeakPolarHBondContact O-CB 3.38Å; L467-T471 PolarHBondContact O-N 3.46Å; L467-T471 PolarHBondContact O-OG1 3.24Å
468	R	98.3	Very high	96.3	Very high	108 Å²	108	53.7 Å²	53.7	41%	0.408	26%	0.261	S	S	.	.	H	α-helix	trans	-61	-50.1	177.8	-77	176	174.2	177.8	1.7	112.4	E287 I464 M465 M470 T471 N472	E287-R468 HydrophobicContact CG-CG 4.17Å; E287-R468 IonicContact OE1-CZ 2.64Å; E287-R468 VanDerWaalsContact OE1-CZ 3.23Å; E287-R468 IonicContact OE1-NE 2.73Å; E287-R468 PolarHBondContact OE1-NE 2.86Å; E287-R468 IonicContact OE1-NH2 3.94Å; E287-R468 PolarHBondContact OE1-NH2 2.7Å; E287-R468 VanDerWaalsContact OE2-CG 3.26Å; E287-R468 WeakPolarHBondContact OE2-CG 3.06Å; E287-R468 IonicContact OE2-NE 3.13Å; I464-R468 WeakPolarHBondContact O-CG 3.36Å; I464-R468 PolarHBondContact O-N 3.15Å; M465-R468 WeakPolarHBondContact O-CB 3.27Å; M465-R468 PolarHBondContact O-N 3.34Å; R468-M470 VanDerWaalsContact C-N 3.35Å; R468-M470 PolarHBondContact O-N 3.08Å; R468-T471 PolarHBondContact O-N 3.5Å; R468-N472 PolarHBondContact O-N 3.41Å
469	V	97	Very high	96	Very high	74 Å²	74	53 Å²	53	45%	0.448	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-49.7	178.5	172.6	0	0	0	0	109.8	M465 T471 N472 K473	M465-V469 HydrophobicContact CG-CG2 4.48Å; M465-V469 WeakPolarHBondContact O-CG2 3.43Å; M465-V469 PolarHBondContact O-N 3.49Å; V469-T471 VanDerWaalsContact C-N 3.34Å; V469-T471 PolarHBondContact O-N 2.89Å; V469-N472 PolarHBondContact O-N 2.55Å; V469-K473 WeakPolarHBondContact O-CG 3Å; V469-K473 PolarHBondContact O-N 3.2Å
470	M	97.6	Very high	95.4	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.044	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-38.4	-180	-167.3	64.1	-126.3	0	0	112.5	T220 Q223 V227 F291 A466 L467 R468 N472 K473 L474	T220-M470 HydrophobicContact CG2-CE 3.44Å; T220-M470 VanDerWaalsContact CG2-CE 3.44Å; T220-M470 WeakPolarHBondContact O-CE 3.37Å; Q223-M470 HydrophobicContact CB-CE 3.94Å; Q223-M470 HydrophobicContact CB-SD 4.02Å; V227-M470 HydrophobicContact CB-CB 4.36Å; V227-M470 HydrophobicContact CB-CG 4.07Å; V227-M470 HydrophobicContact CG1-CB 4.13Å; V227-M470 HydrophobicContact CG1-CG 4.34Å; V227-M470 HydrophobicContact CG2-CB 4.24Å; V227-M470 HydrophobicContact CG2-CG 3.99Å; V227-M470 HydrophobicContact CG2-SD 3.97Å; F291-M470 HydrophobicContact CD2-CB 4.42Å; F291-M470 HydrophobicContact CD2-CG 4.24Å; F291-M470 HydrophobicContact CE2-CB 4.43Å; F291-M470 HydrophobicContact CE2-CG 3.83Å; A466-M470 WeakPolarHBondContact O-CB 3.14Å; A466-M470 PolarHBondContact O-N 2.82Å; L467-M470 PolarHBondContact O-N 3.27Å; R468-M470 VanDerWaalsContact C-N 3.35Å; R468-M470 PolarHBondContact O-N 3.08Å; M470-N472 VanDerWaalsContact C-N 3.33Å; M470-N472 PolarHBondContact O-N 2.83Å; M470-K473 HydrophobicContact CE-CB 3.96Å; M470-K473 PolarHBondContact O-N 3.49Å; M470-L474 HydrophobicContact CE-CD1 4.36Å; M470-L474 HydrophobicContact CE-CD2 4.15Å; M470-L474 HydrophobicContact CE-CG 3.77Å; M470-L474 HydrophobicContact CG-CD1 4.25Å; M470-L474 WeakPolarHBondContact O-CG 3.16Å; M470-L474 PolarHBondContact O-N 3.2Å
471	T	98	Very high	94.8	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-42.7	174.8	-60.9	0	0	0	0	111.4	L290 F291 A294 L467 R468 V469 L474 K475	L290-T471 HydrophobicContact CB-CG2 4.43Å; F291-T471 VanDerWaalsContact CA-OG1 3.28Å; F291-T471 WeakPolarHBondContact CA-OG1 3.38Å; F291-T471 WeakPolarHBondContact CB-OG1 3.24Å; A294-T471 HydrophobicContact CB-CG2 4Å; L467-T471 VanDerWaalsContact O-CB 3.26Å; L467-T471 WeakPolarHBondContact O-CB 3.38Å; L467-T471 PolarHBondContact O-N 3.46Å; L467-T471 PolarHBondContact O-OG1 3.24Å; R468-T471 PolarHBondContact O-N 3.5Å; V469-T471 VanDerWaalsContact C-N 3.34Å; V469-T471 PolarHBondContact O-N 2.89Å; T471-L474 PolarHBondContact O-N 3.38Å; T471-K475 HydrophobicContact CG2-CD 4.42Å; T471-K475 WeakPolarHBondContact O-CG 3.32Å; T471-K475 PolarHBondContact O-N 3.5Å
472	N	96.4	Very high	93.8	Very high	91 Å²	91	50.5 Å²	50.5	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-64.9	-42.3	175.4	-72.4	-20.8	0	0	0	111.7	R468 V469 M470 L474 K475 N476	R468-N472 PolarHBondContact O-N 3.41Å; V469-N472 PolarHBondContact O-N 2.55Å; M470-N472 VanDerWaalsContact C-N 3.33Å; M470-N472 PolarHBondContact O-N 2.83Å; N472-L474 PolarHBondContact O-N 3.08Å; N472-K475 PolarHBondContact O-N 3.4Å; N472-N476 PolarHBondContact O-N 3.48Å; N472-N476 PolarHBondContact O-ND2 3.02Å
473	K	95.9	Very high	92.3	Very high	59 Å²	59	46.9 Å²	46.9	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-46	173.9	-60.5	-155.3	175.9	-169.1	0	111.6	T220 V469 M470 K475 N476 A477 V483 N484	T220-K473 HydrophobicContact CG2-CB 4.07Å; V469-K473 WeakPolarHBondContact O-CG 3Å; V469-K473 PolarHBondContact O-N 3.2Å; M470-K473 HydrophobicContact CE-CB 3.96Å; M470-K473 PolarHBondContact O-N 3.49Å; K473-K475 PolarHBondContact O-N 2.03Å; K473-N476 PolarHBondContact O-N 3.01Å; K473-A477 WeakPolarHBondContact O-CB 3.39Å; K473-A477 PolarHBondContact O-N 3.49Å; K473-V483 HydrophobicContact CB-CG2 4.18Å; K473-V483 HydrophobicContact CD-CG2 3.97Å; K473-V483 HydrophobicContact CG-CG2 3.88Å; K473-N484 PolarHBondContact NZ-OD1 2.99Å
474	L	97.1	Very high	90.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-42.8	177.5	-73.1	161.6	0	0	0	112.4	T220 F291 A294 M295 V298 M470 T471 N472 N476 A477 Y478	T220-L474 HydrophobicContact CG2-CD2 3.86Å; T220-L474 HydrophobicContact CG2-CG 4.13Å; F291-L474 HydrophobicContact CD2-CD1 3.78Å; F291-L474 HydrophobicContact CE2-CD1 3.71Å; A294-L474 HydrophobicContact CB-CB 3.74Å; A294-L474 HydrophobicContact CB-CD1 4.03Å; M295-L474 HydrophobicContact CG-CD1 3.71Å; M295-L474 HydrophobicContact CG-CD2 4.5Å; M295-L474 HydrophobicContact SD-CD1 3.61Å; M295-L474 HydrophobicContact SD-CD2 3.55Å; M295-L474 VanDerWaalsContact SD-CD2 3.55Å; M295-L474 HydrophobicContact SD-CG 4.23Å; V298-L474 HydrophobicContact CB-CD2 4.29Å; V298-L474 HydrophobicContact CG2-CB 4.18Å; V298-L474 HydrophobicContact CG2-CD2 3.84Å; V298-L474 VanDerWaalsContact CG2-O 3.27Å; V298-L474 WeakPolarHBondContact CG2-O 3.21Å; M470-L474 HydrophobicContact CE-CD1 4.36Å; M470-L474 HydrophobicContact CE-CD2 4.15Å; M470-L474 HydrophobicContact CE-CG 3.77Å; M470-L474 HydrophobicContact CG-CD1 4.25Å; M470-L474 WeakPolarHBondContact O-CG 3.16Å; M470-L474 PolarHBondContact O-N 3.2Å; T471-L474 PolarHBondContact O-N 3.38Å; N472-L474 PolarHBondContact O-N 3.08Å; L474-N476 VanDerWaalsContact C-N 3.33Å; L474-N476 PolarHBondContact O-N 3.29Å; L474-A477 PolarHBondContact O-N 2.8Å; L474-Y478 WeakPolarHBondContact O-CB 3.38Å; L474-Y478 PolarHBondContact O-N 3.12Å
475	K	96	Very high	89	Confident	94 Å²	94	51.5 Å²	51.5	41%	0.409	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-38.7	175.6	-74.4	176.1	179.4	177	0	112.3	A294 T471 N472 K473 Y478 N479	A294-K475 HydrophobicContact CB-CG 4.46Å; T471-K475 HydrophobicContact CG2-CD 4.42Å; T471-K475 WeakPolarHBondContact O-CG 3.32Å; T471-K475 PolarHBondContact O-N 3.5Å; N472-K475 PolarHBondContact O-N 3.4Å; K473-K475 PolarHBondContact O-N 2.03Å; K475-Y478 WeakPolarHBondContact O-CB 3.2Å; K475-Y478 PolarHBondContact O-N 2.83Å; K475-N479 PolarHBondContact O-N 2.85Å; K475-N479 PolarHBondContact O-ND2 2.97Å
476	N	93.6	Very high	86.8	Confident	55 Å²	55	53.9 Å²	53.9	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-69.4	-41.7	175.7	-71.1	-28.4	0	0	0	111.9	N472 K473 L474 Y478 N479 G480 N481 V483	N472-N476 PolarHBondContact O-N 3.48Å; N472-N476 PolarHBondContact O-ND2 3.02Å; K473-N476 PolarHBondContact O-N 3.01Å; L474-N476 VanDerWaalsContact C-N 3.33Å; L474-N476 PolarHBondContact O-N 3.29Å; N476-Y478 VanDerWaalsContact C-N 3.3Å; N476-Y478 PolarHBondContact O-N 3.45Å; N476-N479 CarbonylContact O-C 3.55Å; N476-N479 WeakPolarHBondContact O-CA 3.39Å; N476-N479 WeakPolarHBondContact O-CB 3.26Å; N476-N479 PolarHBondContact O-N 3.37Å; N476-G480 PolarHBondContact O-N 3.47Å; N476-G480 VanDerWaalsContact O-N 3.14Å; N476-N481 CarbonylContact C-O 3.29Å; N476-N481 PolarHBondContact O-N 3.25Å; N476-V483 HydrophobicContact CB-CG1 3.76Å; N476-V483 WeakPolarHBondContact ND2-CG1 3.46Å
477	A	93.7	Very high	84.4	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-35.2	174.3	0	0	0	0	0	112.8	I216 T220 V298 K473 L474 N479 G480	I216-A477 HydrophobicContact CG2-CB 3.83Å; T220-A477 HydrophobicContact CG2-CB 3.7Å; T220-A477 WeakPolarHBondContact OG1-CB 3.48Å; V298-A477 HydrophobicContact CG2-CB 4.5Å; K473-A477 WeakPolarHBondContact O-CB 3.39Å; K473-A477 PolarHBondContact O-N 3.49Å; L474-A477 PolarHBondContact O-N 2.8Å; A477-N479 PolarHBondContact O-N 3.16Å; A477-G480 WeakPolarHBondContact O-CA 3.09Å; A477-G480 PolarHBondContact O-N 2.93Å
478	Y	92.8	Very high	81.4	Confident	68 Å²	68	63.7 Å²	63.7	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-59.6	-34.9	172.4	171	-96.5	0	0	0	112.5	L297 R301 L474 K475 N476 G480	L297-Y478 HydrophobicContact CB-CD2 3.76Å; L297-Y478 HydrophobicContact CB-CE2 4.12Å; L297-Y478 HydrophobicContact CB-CG 4.36Å; L297-Y478 HydrophobicContact CD2-CE2 4.22Å; R301-Y478 HydrophobicContact CG-CD2 3.51Å; R301-Y478 HydrophobicContact CG-CE2 3.82Å; R301-Y478 HydrophobicContact CG-CG 4.47Å; R301-Y478 PolarHBondContact NH2-OH 2.87Å; L474-Y478 WeakPolarHBondContact O-CB 3.38Å; L474-Y478 PolarHBondContact O-N 3.12Å; K475-Y478 WeakPolarHBondContact O-CB 3.2Å; K475-Y478 PolarHBondContact O-N 2.83Å; N476-Y478 VanDerWaalsContact C-N 3.3Å; N476-Y478 PolarHBondContact O-N 3.45Å; Y478-G480 VanDerWaalsContact C-N 3.29Å
479	N	89.1	Confident	78.4	Confident	95 Å²	95	62.2 Å²	62.2	51%	0.508	33%	0.332	S	S	.	.	H	α-helix	trans	-81.1	-8.5	174.1	-64.9	-34.2	0	0	0	113.2	K475 N476 A477	K475-N479 PolarHBondContact O-N 2.85Å; K475-N479 PolarHBondContact O-ND2 2.97Å; N476-N479 CarbonylContact O-C 3.55Å; N476-N479 WeakPolarHBondContact O-CA 3.39Å; N476-N479 WeakPolarHBondContact O-CB 3.26Å; N476-N479 PolarHBondContact O-N 3.37Å; A477-N479 PolarHBondContact O-N 3.16Å
480	G	81.9	Confident	75.5	Confident	11 Å²	11	66 Å²	66	11%	0.113	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	18.6	-178.1	0	0	0	0	0	114.6	N476 A477 Y478	N476-G480 PolarHBondContact O-N 3.47Å; N476-G480 VanDerWaalsContact O-N 3.14Å; A477-G480 WeakPolarHBondContact O-CA 3.09Å; A477-G480 PolarHBondContact O-N 2.93Å; Y478-G480 VanDerWaalsContact C-N 3.29Å
481	N	81.6	Confident	72.5	Confident	97 Å²	97	74.1 Å²	74.1	52%	0.519	39%	0.387	S	S	.	.			trans	-99.8	132.3	-179.9	-61.9	-12.4	0	0	0	110.4	N476	N476-N481 CarbonylContact C-O 3.29Å; N476-N481 PolarHBondContact O-N 3.25Å
482	D	75.2	Confident	69.4	Low	25 Å²	25	79.7 Å²	79.7	13%	0.134	43%	0.426	C	S	.	.			trans	-85.8	118.1	170.3	-161	-23.4	0	0	0	109.4	Y149 I216 N484 F485	Y149-D482 PolarHBondContact OH-OD2 3.31Å; I216-D482 HydrophobicContact CD1-CB 3.7Å; I216-D482 HydrophobicContact CG1-CB 3.91Å; D482-N484 VanDerWaalsContact C-N 3.3Å; D482-N484 WeakPolarHBondContact OD1-CB 3.46Å; D482-N484 PolarHBondContact OD1-N 2.89Å; D482-N484 PolarHBondContact OD1-ND2 2.02Å; D482-F485 CarbonylContact O-C 3.39Å; D482-F485 VanDerWaalsContact O-O 3.05Å
483	V	65.9	Low	66.6	Low	40 Å²	40	81 Å²	81	24%	0.242	44%	0.442	C	S	.	.	S	Bend	trans	-74.5	-21.6	175.6	-84.7	0	0	0	0	113.3	K473 N476 F485	K473-V483 HydrophobicContact CB-CG2 4.18Å; K473-V483 HydrophobicContact CD-CG2 3.97Å; K473-V483 HydrophobicContact CG-CG2 3.88Å; N476-V483 HydrophobicContact CB-CG1 3.76Å; N476-V483 WeakPolarHBondContact ND2-CG1 3.46Å; V483-F485 VanDerWaalsContact C-N 3.28Å
484	N	66.3	Low	64	Low	61 Å²	61	81.5 Å²	81.5	33%	0.326	46%	0.464	S	S	.	.	S	Bend	trans	-79.8	-18.7	-178.7	-48.2	-60.5	0	0	0	111.5	K473 D482	K473-N484 PolarHBondContact NZ-OD1 2.99Å; D482-N484 VanDerWaalsContact C-N 3.3Å; D482-N484 WeakPolarHBondContact OD1-CB 3.46Å; D482-N484 PolarHBondContact OD1-N 2.89Å; D482-N484 PolarHBondContact OD1-ND2 2.02Å
485	F	59.1	Low	61.2	Low	48 Å²	48	87.3 Å²	87.3	21%	0.211	51%	0.505	C	S	.	.	S	Bend	trans	-133.1	84.9	176.7	-62.1	-83.2	0	0	0	107.8	N154 V155 N156 D482 V483 D487	N154-F485 WeakPolarHBondContact OD1-CE1 3.3Å; N154-F485 WeakPolarHBondContact OD1-CZ 3.49Å; V155-F485 VanDerWaalsContact C-CZ 3.49Å; V155-F485 WeakPolarHBondContact O-CE2 3.3Å; V155-F485 WeakPolarHBondContact O-CZ 3.38Å; N156-F485 HydrophobicContact CB-CD1 4.05Å; N156-F485 HydrophobicContact CB-CE1 4.2Å; N156-F485 HydrophobicContact CB-CG 4.43Å; D482-F485 CarbonylContact O-C 3.39Å; D482-F485 VanDerWaalsContact O-O 3.05Å; V483-F485 VanDerWaalsContact C-N 3.28Å; F485-D487 PolarHBondContact O-N 3Å
486	Q	51.5	Low	58.6	Low	155 Å²	155	86.3 Å²	86.3	72%	0.724	52%	0.522	S	S	*	.			trans	-77.6	112.3	166.8	-72.3	-178	-2.9	0	0	107.6	T488	Q486-T488 PolarHBondContact O-N 3.5Å
487	D	46.5	Very low	56.1	Low	98 Å²	98	90.1 Å²	90.1	52%	0.524	55%	0.553	S	S	.	*			trans	-64.9	102.2	168.1	-73.9	-27.3	0	0	0	108.4	F485 S489	F485-D487 PolarHBondContact O-N 3Å; D487-S489 PolarHBondContact O-N 3.04Å
488	T	35	Very low	53.9	Low	145 Å²	145	93.6 Å²	93.6	89%	0.89	59%	0.589	S	S	*	*			trans	-71.3	72.1	160.4	44.7	0	0	0	0	108.6	Q486	Q486-T488 PolarHBondContact O-N 3.5Å
489	S	36.3	Very low	51.4	Low	77 Å²	77	96.4 Å²	96.4	54%	0.538	62%	0.619	S	S	.	*			trans	-153.3	97.3	166.3	59	0	0	0	0	110.7	D487	D487-S489 PolarHBondContact O-N 3.04Å
490	D	36.5	Very low	49.1	Very low	152 Å²	152	95.4 Å²	95.4	81%	0.813	63%	0.631	S	S	*	*			trans	78.4	128.1	141.3	-55.3	-27	0	0	0	121.8
491	E	34.7	Very low	47.3	Very low	180 Å²	180	101 Å²	101	84%	0.841	67%	0.667	S	S	*	*			trans	86.8	66.4	157.5	-53.8	-71.7	146.6	0	0	119.5
492	S	33.1	Very low	45.4	Very low	121 Å²	121	104.6 Å²	104.6	85%	0.846	68%	0.682	S	S	*	*			trans	-147.2	78.9	135.1	178.3	0	0	0	0	110	G494	S492-G494 PolarHBondContact O-N 3.03Å
493	S	37.3	Very low	43.8	Very low	118 Å²	118	110.2 Å²	110.2	83%	0.825	71%	0.713	S	S	*	*			trans	-65	97.6	171	-163.8	0	0	0	0	110.1
494	G	40.1	Very low	42.6	Very low	70 Å²	70	115.9 Å²	115.9	72%	0.722	74%	0.741	S	S	*	*			trans	-115.7	85.2	170.3	0	0	0	0	0	109.8	S492 G496	S492-G494 PolarHBondContact O-N 3.03Å; G494-G496 PolarHBondContact O-N 2.91Å
495	S	38.3	Very low	41.3	Very low	122 Å²	122	119 Å²	119	85%	0.853	76%	0.763	S	S	*	*			trans	-55.4	119.9	173.3	-69.5	0	0	0	0	111.6
496	G	42.5	Very low	40.2	Very low	74 Å²	74	122.2 Å²	122.2	76%	0.763	79%	0.79	S	S	*	*			trans	-144.8	73.6	173.1	0	0	0	0	0	110.6	G494 G498	G494-G496 PolarHBondContact O-N 2.91Å; G496-G498 PolarHBondContact O-N 3.39Å
497	S	41.2	Very low	39.9	Very low	134 Å²	134	120.3 Å²	120.3	94%	0.937	79%	0.79	S	S	*	*			trans	-63.5	116.5	170	-58.3	0	0	0	0	109.9
498	G	46.5	Very low	39.6	Very low	75 Å²	75	121.4 Å²	121.4	77%	0.773	80%	0.801	S	S	*	*			trans	-144.9	103.6	176.2	0	0	0	0	0	110	G496	G496-G498 PolarHBondContact O-N 3.39Å
499	S	41.8	Very low	39.7	Very low	127 Å²	127	123.6 Å²	123.6	89%	0.888	80%	0.801	S	S	*	*			trans	-64.6	145.9	-177.3	51.1	0	0	0	0	115.1
500	G	39.5	Very low	39.7	Very low	74 Å²	74	129.3 Å²	129.3	76%	0.763	82%	0.817	S	S	*	*			trans	105.1	91.7	140.4	0	0	0	0	0	116.9
501	C	45.4	Very low	39.4	Very low	129 Å²	129	131 Å²	131	87%	0.872	82%	0.82	S	S	*	*			trans	-118.7	99.7	157.4	-55.2	0	0	0	0	108
502	M	40.3	Very low	39.4	Very low	172 Å²	172	131.2 Å²	131.2	85%	0.847	82%	0.818	S	S	*	*			trans	-104.5	140.5	158.4	-110.4	157.9	73.5	0	0	106.6
503	D	42.9	Very low	39.3	Very low	143 Å²	143	130.7 Å²	130.7	77%	0.765	81%	0.809	S	S	*	*	S	Bend	trans	76.1	107.6	169.9	-55.2	-25.8	0	0	0	118.4
504	D	40.1	Very low	39.2	Very low	158 Å²	158	130.7 Å²	130.7	85%	0.845	81%	0.805	S	S	*	*	S	Bend	trans	58.5	113.2	150	-77.5	-24.1	0	0	0	120.6
505	V	38.2	Very low	38.9	Very low	128 Å²	128	133.6 Å²	133.6	78%	0.776	81%	0.808	S	S	*	*			trans	83.8	77.6	160.3	-163.2	0	0	0	0	116.6
506	C	37.5	Very low	38.7	Very low	115 Å²	115	136.4 Å²	136.4	78%	0.777	81%	0.808	S	S	*	*			trans	-96.7	115.9	150	-80.2	0	0	0	0	108.8	T508	C506-T508 PolarHBondContact O-N 2.7Å
507	P	44.1	Very low	38.2	Very low	114 Å²	114	137.3 Å²	137.3	74%	0.74	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.7	124.9	174.9	0.2	15.3	0	0	0	109.5
508	T	40.4	Very low	37.7	Very low	121 Å²	121	136.3 Å²	136.3	74%	0.742	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-51.4	138.1	170.7	-3.9	0	0	0	0	111.3	C506 F510	C506-T508 PolarHBondContact O-N 2.7Å; T508-F510 PolarHBondContact O-N 3.25Å
509	E	37.3	Very low	37.1	Very low	191 Å²	191	137.6 Å²	137.6	89%	0.893	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-52.6	119.2	169.1	-67.1	-179.9	148.3	0	0	109.7	E511	E509-E511 PolarHBondContact O-N 3.13Å
510	F	35.9	Very low	36.8	Very low	198 Å²	198	137.9 Å²	137.9	87%	0.868	80%	0.798	S	S	*	*			trans	-82.7	106.8	171.7	-87.2	-91.9	0	0	0	108.8	T508 F512	T508-F510 PolarHBondContact O-N 3.25Å; F510-F512 PolarHBondContact O-N 2.64Å
511	E	30.8	Very low	36.5	Very low	187 Å²	187	140.8 Å²	140.8	87%	0.874	80%	0.796	S	S	*	*			trans	-61.4	113.5	161.2	-80.8	-177.4	147.8	0	0	109.3	E509 V513	E509-E511 PolarHBondContact O-N 3.13Å; E511-V513 PolarHBondContact O-N 3.25Å
512	F	35.3	Very low	36	Very low	184 Å²	184	140.1 Å²	140.1	81%	0.807	79%	0.79	S	S	*	*			trans	-90.4	98	171	-161.2	-92.2	0	0	0	108.9	F510 T514	F510-F512 PolarHBondContact O-N 2.64Å; F512-T514 PolarHBondContact O-N 2.94Å
513	V	31.2	Very low	35.8	Very low	110 Å²	110	137.8 Å²	137.8	67%	0.667	78%	0.781	S	S	*	*			trans	-67	108.7	165.5	178.6	0	0	0	0	107.5	E511 T515	E511-V513 PolarHBondContact O-N 3.25Å; V513-T515 PolarHBondContact O-N 3.03Å
514	T	34.3	Very low	35.4	Very low	119 Å²	119	141.1 Å²	141.1	73%	0.73	78%	0.783	S	S	*	*			trans	-60.9	100.1	164.3	14	0	0	0	0	108.4	F512 E516	F512-T514 PolarHBondContact O-N 2.94Å; T514-E516 PolarHBondContact O-N 3.4Å
515	T	33.1	Very low	35.3	Very low	130 Å²	130	145.4 Å²	145.4	80%	0.798	79%	0.787	S	S	*	*			trans	-66.9	111.9	167.9	-30.9	0	0	0	0	107.9	V513 A517	V513-T515 PolarHBondContact O-N 3.03Å; T515-A517 PolarHBondContact O-N 2.76Å
516	E	34.7	Very low	35.1	Very low	181 Å²	181	147.6 Å²	147.6	85%	0.846	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-53.5	129.5	166	-75	178.3	146.3	0	0	109.4	T514	T514-E516 PolarHBondContact O-N 3.4Å
517	A	32.1	Very low	35.1	Very low	93 Å²	93	151.5 Å²	151.5	77%	0.769	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.7	126.7	164.6	0	0	0	0	0	107.7	T515 A519	T515-A517 PolarHBondContact O-N 2.76Å; A517-A519 PolarHBondContact O-N 3.08Å
518	P	30	Very low	34.5	Very low	114 Å²	114	155.5 Å²	155.5	74%	0.74	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67.6	129.2	-178.7	27	-32.4	0	0	0	109.9	V520	P518-V520 PolarHBondContact O-N 2.92Å
519	A	34.7	Very low	34.4	Very low	101 Å²	101	155 Å²	155	84%	0.835	81%	0.806	S	S	*	*			trans	-64.9	111.6	165.6	0	0	0	0	0	108.5	A517 D521	A517-A519 PolarHBondContact O-N 3.08Å; A519-D521 PolarHBondContact O-N 2.91Å
520	V	34.5	Very low	34.2	Very low	134 Å²	134	151.4 Å²	151.4	81%	0.812	80%	0.802	S	S	*	*			trans	-84.1	101.1	168.9	177.4	0	0	0	0	107.3	P518	P518-V520 PolarHBondContact O-N 2.92Å
521	D	33.9	Very low	34.2	Very low	134 Å²	134	146.3 Å²	146.3	72%	0.717	80%	0.797	S	S	*	*			trans	-97.3	120.8	162	-165.9	0.1	0	0	0	107.8	A519 D523	A519-D521 PolarHBondContact O-N 2.91Å; D521-D523 PolarHBondContact O-N 2.95Å
522	P	35.3	Very low	34.5	Very low	115 Å²	115	142.8 Å²	142.8	75%	0.747	79%	0.793	S	S	*	*			trans	-91.4	88.4	176.4	34.2	-26.2	0	0	0	109.1
523	D	35.6	Very low	34.4	Very low	124 Å²	124	143.6 Å²	143.6	66%	0.663	80%	0.796	S	S	*	*			trans	-110.9	122.4	168.2	-140.6	-6.6	0	0	0	112.1	D521	D521-D523 PolarHBondContact O-N 2.95Å
524	R	34.2	Very low	34.7	Very low	212 Å²	212	146.1 Å²	146.1	80%	0.8	81%	0.805	S	S	*	*			trans	23.5	115.3	155.5	-81.3	167	141.3	166	-6.8	119.4
525	R	38.9	Very low	34.7	Very low	248 Å²	248	144.8 Å²	144.8	94%	0.936	80%	0.8	S	S	*	*			trans	-125.8	121.7	138.5	-76.5	-172.5	179.1	-179.3	0.3	110.3
526	E	34.4	Very low	34.7	Very low	175 Å²	175	143.4 Å²	143.4	82%	0.818	80%	0.796	S	S	*	*			trans	-69.1	130	164.9	-66.1	172.1	150.2	0	0	108.7
527	E	36.9	Very low	34.8	Very low	197 Å²	197	139.7 Å²	139.7	92%	0.921	79%	0.79	S	S	*	*			trans	-140.2	118.3	156.8	-110.4	178.8	-179.2	0	0	108.4
528	E	32.1	Very low	35.4	Very low	198 Å²	198	143.2 Å²	143.2	93%	0.925	80%	0.795	S	S	*	*			trans	-69.6	127.4	176.9	-65.2	174.4	131.2	0	0	110.5
529	S	36.6	Very low	36.3	Very low	110 Å²	110	144.8 Å²	144.8	77%	0.769	80%	0.796	S	S	*	*			trans	-163.2	97.4	154.6	166	0	0	0	0	110.8
530	S	33.1	Very low	37	Very low	116 Å²	116	144.7 Å²	144.7	81%	0.811	79%	0.789	S	S	*	*			trans	-13.7	122.7	156.6	46.8	0	0	0	0	118.7
531	A	37.7	Very low	37.7	Very low	90 Å²	90	148.2 Å²	148.2	74%	0.744	79%	0.788	S	S	*	*			trans	-166.3	112.1	137.5	0	0	0	0	0	112.5
532	S	36	Very low	38.5	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	78%	0.779	S	S	*	*			trans	44.6	102.2	144.3	58	0	0	0	0	121.7
533	K	33.6	Very low	39.3	Very low	202 Å²	202	146.9 Å²	146.9	88%	0.878	78%	0.779	S	S	*	*			trans	1.6	123.6	137.6	-64.3	173	177.1	175.7	0	118
534	L	37.3	Very low	40.2	Very low	163 Å²	163	145.3 Å²	145.3	85%	0.853	77%	0.774	S	S	*	*				-166.1	121.6	123.5	-130.6	82.8	0	0	0	111.7
535	S	34.3	Very low	41.2	Very low	91 Å²	91	139.1 Å²	139.1	64%	0.636	76%	0.763	S	S	*	*			trans	42.1	105.1	139.5	69.6	0	0	0	0	118.9
536	S	32.9	Very low	42.2	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	74%	0.743	S	S	*	*				98.6	119.2	75.6	64.6	0	0	0	0	114.2
537	S	37.1	Very low	43.4	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	73%	0.73	S	S	*	*			trans	56.4	89.7	138.2	66.3	0	0	0	0	119.4
538	L	45	Very low	44.5	Very low	166 Å²	166	123.2 Å²	123.2	87%	0.869	71%	0.713	S	S	*	*			trans	-146.5	-5.4	157.7	-86.6	-178.8	0	0	0	117.1
539	I	48.6	Very low	45.9	Very low	148 Å²	148	116.3 Å²	116.3	76%	0.759	69%	0.69	S	S	*	*	S	Bend	trans	-106.5	-6.6	-168.4	-55.4	176.4	0	0	0	114.1	W541 S542	I539-W541 PolarHBondContact O-N 2.87Å; I539-S542 PolarHBondContact O-OG 2.63Å
540	S	48.3	Very low	47.1	Very low	98 Å²	98	116.8 Å²	116.8	69%	0.685	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	2.6	178.1	75.9	0	0	0	0	115.5
541	W	50.1	Low	48.3	Very low	209 Å²	209	117.7 Å²	117.7	79%	0.792	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-15.7	-177.4	-89.9	44.1	0	0	0	114.6	I539	I539-W541 PolarHBondContact O-N 2.87Å
542	S	51.5	Low	49.5	Very low	78 Å²	78	123.7 Å²	123.7	55%	0.545	68%	0.678	S	S	.	*	H	α-helix	trans	-79.1	-26	-175.5	44.3	0	0	0	0	114.1	I539	I539-S542 PolarHBondContact O-OG 2.63Å
543	L	50.7	Low	50.8	Low	142 Å²	142	125.5 Å²	125.5	74%	0.743	68%	0.678	S	S	*	*	H	α-helix	trans	-84.9	-23	-179.6	-85.5	154.2	0	0	0	114.2
544	V	54.5	Low	52.2	Low	91 Å²	91	123.3 Å²	123.3	55%	0.552	68%	0.676	S	S	*	*	H	α-helix	trans	-79.8	-27.7	178.1	178.4	0	0	0	0	111.9	L548	V544-L548 HydrophobicContact CG1-CD1 4.2Å; V544-L548 PolarHBondContact O-N 3.34Å
545	C	55.6	Low	53	Low	83 Å²	83	129.2 Å²	129.2	56%	0.561	69%	0.687	S	S	*	*	H	α-helix	trans	-71.9	-28.4	178	-73	0	0	0	0	113.7	A549	C545-A549 WeakPolarHBondContact O-CB 3.49Å; C545-A549 PolarHBondContact O-N 2.96Å; C545-A549 VanDerWaalsContact O-N 3.11Å
546	V	59.4	Low	53.9	Low	88 Å²	88	131.1 Å²	131.1	53%	0.533	69%	0.69	S	S	.	*	H	α-helix	trans	-75	-34.5	179.7	179.1	0	0	0	0	111.6	A549 L550	V546-A549 PolarHBondContact O-N 3.23Å; V546-L550 HydrophobicContact CG1-CD1 4.3Å; V546-L550 PolarHBondContact O-N 3.03Å
547	V	60.4	Low	55	Low	89 Å²	89	132.7 Å²	132.7	54%	0.539	69%	0.689	S	S	.	*	H	α-helix	trans	-72.8	-36.1	178.1	180	0	0	0	0	111.7	Q551	V547-Q551 PolarHBondContact O-N 3.45Å
548	L	60	Low	56	Low	108 Å²	108	134.3 Å²	134.3	57%	0.565	69%	0.687	S	S	*	*	H	α-helix	trans	-75.5	-27.7	176	-73	169.4	0	0	0	113.2	V544 R552	V544-L548 HydrophobicContact CG1-CD1 4.2Å; V544-L548 PolarHBondContact O-N 3.34Å; L548-R552 PolarHBondContact O-N 3.05Å
549	A	62.1	Low	56.7	Low	53 Å²	53	132.5 Å²	132.5	44%	0.438	68%	0.676	S	S	.	*	H	α-helix	trans	-69.9	-38	173	0	0	0	0	0	112	C545 V546 R552 L553	C545-A549 WeakPolarHBondContact O-CB 3.49Å; C545-A549 PolarHBondContact O-N 2.96Å; C545-A549 VanDerWaalsContact O-N 3.11Å; V546-A549 PolarHBondContact O-N 3.23Å; A549-R552 PolarHBondContact O-N 3.24Å; A549-L553 PolarHBondContact O-N 3.15Å
550	L	60	Low	57.2	Low	121 Å²	121	131.5 Å²	131.5	63%	0.634	67%	0.671	S	S	*	*	H	α-helix	trans	-71.5	-28.3	177.6	-75.7	166.4	0	0	0	113.2	V546 R552	V546-L550 HydrophobicContact CG1-CD1 4.3Å; V546-L550 PolarHBondContact O-N 3.03Å; L550-R552 VanDerWaalsContact C-N 3.33Å
551	Q	58.6	Low	57.8	Low	135 Å²	135	133.7 Å²	133.7	63%	0.631	67%	0.67	S	S	*	*	H	α-helix	trans	-77.1	-15.6	174.9	-76.3	-173	-24.4	0	0	114.3	V547	V547-Q551 PolarHBondContact O-N 3.45Å
552	R	62.9	Low	58.3	Low	216 Å²	216	128.4 Å²	128.4	82%	0.815	66%	0.661	S	S	*	*	H	α-helix	trans	-93.6	-10.3	174.5	-81.5	-169.1	178	-166.8	0.8	114.7	L548 A549 L550	L548-R552 PolarHBondContact O-N 3.05Å; A549-R552 PolarHBondContact O-N 3.24Å; L550-R552 VanDerWaalsContact C-N 3.33Å
553	L	63.2	Low	58.9	Low	151 Å²	151	132.2 Å²	132.2	79%	0.791	67%	0.67	S	S	*	*	S	Bend	trans	-90.2	-7.4	171.5	-98	99.2	0	0	0	113.9	A549	A549-L553 PolarHBondContact O-N 3.15Å
554	N	62.9	Low	59.5	Low	155 Å²	155	131.4 Å²	131.4	83%	0.829	66%	0.664	S	S	*	*			trans	-111.5	20	178.9	-113	5.7	0	0	0	113.7
555	R	54.7	Low	60	Low	287 Å²	287	135.1 Å²	135.1	100%	1.083	67%	0.674	S	S	*	*			trans	-132.4	0	166.7	-106.1	-173.1	179	-173.6	0.9	107.8

Retrieved 555 of 555 residues in 332.5 ms (Link to these results)

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