A0A3Q0KMQ8_SCHMA Loading...

DNAj-related

AlphaFold DB , UniProt , Accession A0A3Q0KMQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 345 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	48.8	Very low	53.5	Low	212 Å²	212	135.7 Å²	135.7	100%	1.044	67%	0.668	S	S	*	*				0	-22.1	0	-89.7	179.3	-141.1	0	0	114.5
2	A	49.7	Very low	54.2	Low	77 Å²	77	128.7 Å²	128.7	64%	0.636	64%	0.638	S	S	*	*			trans	-71.5	-28.6	-178.7	0	0	0	0	0	115	Y4	A2-Y4 PolarHBondContact O-N 2.99Å
3	F	49.7	Very low	54.5	Low	174 Å²	174	127.5 Å²	127.5	76%	0.763	63%	0.627	S	S	*	*	H	α-helix	trans	-70.5	-25.4	-178.9	-96.1	-88.6	0	0	0	114.7	T6	F3-T6 PolarHBondContact O-OG1 2.59Å
4	Y	52	Low	55.2	Low	196 Å²	196	128.3 Å²	128.3	77%	0.769	63%	0.626	S	S	*	*	H	α-helix	trans	-78.1	-21.4	-178.7	-72.4	-77.2	0	0	0	113.7	A2	A2-Y4 PolarHBondContact O-N 2.99Å
5	L	48.6	Very low	55.9	Low	128 Å²	128	126.6 Å²	126.6	67%	0.67	62%	0.62	S	S	*	*	H	α-helix	trans	-79.2	-30.8	-177.2	-70.4	171.1	0	0	0	112.7	E9	L5-E9 PolarHBondContact O-N 3.3Å
6	T	55	Low	56.5	Low	85 Å²	85	125.5 Å²	125.5	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-74.1	-34.9	-179.3	47.7	0	0	0	0	112.8	F3 R10	F3-T6 PolarHBondContact O-OG1 2.59Å; T6-R10 PolarHBondContact O-N 3.21Å
7	D	52.2	Low	57.2	Low	106 Å²	106	123.6 Å²	123.6	57%	0.567	61%	0.609	S	S	*	*	H	α-helix	trans	-73.8	-34.4	177.1	-75.1	-21	0	0	0	111.9	E9 R10 S11	D7-E9 PolarHBondContact O-N 3.34Å; D7-R10 PolarHBondContact O-N 2.86Å; D7-S11 WeakPolarHBondContact O-CB 3.33Å; D7-S11 PolarHBondContact O-N 3Å
8	F	58	Low	57.5	Low	145 Å²	145	123.5 Å²	123.5	64%	0.636	61%	0.61	S	S	*	*	H	α-helix	trans	-64.9	-38.7	175.6	-168	-101.2	0	0	0	112.3	T12	F8-T12 HydrophobicContact CD1-CG2 4.13Å; F8-T12 HydrophobicContact CE1-CG2 3.83Å; F8-T12 HydrophobicContact CE2-CG2 4.37Å; F8-T12 HydrophobicContact CZ-CG2 3.96Å; F8-T12 WeakPolarHBondContact O-CB 3.49Å; F8-T12 VanDerWaalsContact O-CG2 3.23Å; F8-T12 WeakPolarHBondContact O-CG2 2.9Å; F8-T12 PolarHBondContact O-N 3.3Å; F8-T12 PolarHBondContact O-OG1 3.1Å
9	E	56	Low	57.9	Low	115 Å²	115	122.7 Å²	122.7	54%	0.537	61%	0.608	S	S	.	*	H	α-helix	trans	-68.4	-36.2	175.2	-89.3	-153.4	-167.1	0	0	113.6	L5 D7 T12 K13	L5-E9 PolarHBondContact O-N 3.3Å; D7-E9 PolarHBondContact O-N 3.34Å; E9-T12 WeakPolarHBondContact CA-OG1 3.41Å; E9-T12 PolarHBondContact O-OG1 2.65Å; E9-T12 VanDerWaalsContact O-OG1 3.14Å; E9-K13 VanDerWaalsContact O-CD 3.31Å; E9-K13 WeakPolarHBondContact O-CD 3.41Å; E9-K13 WeakPolarHBondContact O-CG 3.44Å; E9-K13 PolarHBondContact O-N 2.65Å; E9-K13 IonicContact OE2-NZ 2.77Å; E9-K13 PolarHBondContact OE2-NZ 3.48Å
10	R	57.8	Low	58	Low	181 Å²	181	124 Å²	124	68%	0.683	62%	0.616	S	S	*	*	H	α-helix	trans	-71.2	-45	175.9	-86.9	-178.1	172.5	-179.1	-2.1	110.9	T6 D7 T12 K13 F14	T6-R10 PolarHBondContact O-N 3.21Å; D7-R10 PolarHBondContact O-N 2.86Å; R10-T12 VanDerWaalsContact C-N 3.34Å; R10-T12 PolarHBondContact O-N 2.89Å; R10-K13 PolarHBondContact O-N 3.03Å; R10-F14 WeakPolarHBondContact O-CD2 3.3Å; R10-F14 PolarHBondContact O-N 3.13Å; R10-F14 VanDerWaalsContact O-N 3.12Å
11	S	60.5	Low	57.9	Low	74 Å²	74	124.1 Å²	124.1	52%	0.517	62%	0.618	S	S	.	*	H	α-helix	trans	-64	-38.5	-179.6	-160.6	0	0	0	0	112.1	D7 F14 L15	D7-S11 WeakPolarHBondContact O-CB 3.33Å; D7-S11 PolarHBondContact O-N 3Å; S11-F14 PolarHBondContact O-N 2.77Å; S11-L15 VanDerWaalsContact O-CB 3.31Å; S11-L15 WeakPolarHBondContact O-CB 3.37Å; S11-L15 PolarHBondContact O-N 2.77Å
12	T	62.6	Low	58	Low	51 Å²	51	124.3 Å²	124.3	31%	0.313	61%	0.607	S	S	.	*	H	α-helix	trans	-69.4	-35.1	176.9	49.9	0	0	0	0	112.9	F8 E9 R10 L15 L16	F8-T12 HydrophobicContact CD1-CG2 4.13Å; F8-T12 HydrophobicContact CE1-CG2 3.83Å; F8-T12 HydrophobicContact CE2-CG2 4.37Å; F8-T12 HydrophobicContact CZ-CG2 3.96Å; F8-T12 WeakPolarHBondContact O-CB 3.49Å; F8-T12 VanDerWaalsContact O-CG2 3.23Å; F8-T12 WeakPolarHBondContact O-CG2 2.9Å; F8-T12 PolarHBondContact O-N 3.3Å; F8-T12 PolarHBondContact O-OG1 3.1Å; E9-T12 WeakPolarHBondContact CA-OG1 3.41Å; E9-T12 PolarHBondContact O-OG1 2.65Å; E9-T12 VanDerWaalsContact O-OG1 3.14Å; R10-T12 VanDerWaalsContact C-N 3.34Å; R10-T12 PolarHBondContact O-N 2.89Å; T12-L15 PolarHBondContact O-N 3.39Å; T12-L16 WeakPolarHBondContact O-CB 3.18Å; T12-L16 PolarHBondContact O-N 3.32Å
13	K	58.3	Low	58.2	Low	113 Å²	113	126 Å²	126	49%	0.491	61%	0.61	S	S	.	*	H	α-helix	trans	-65.4	-42.5	174.5	-71.9	167.3	-166.4	164.3	0	111.8	E9 R10 I17	E9-K13 VanDerWaalsContact O-CD 3.31Å; E9-K13 WeakPolarHBondContact O-CD 3.41Å; E9-K13 WeakPolarHBondContact O-CG 3.44Å; E9-K13 PolarHBondContact O-N 2.65Å; E9-K13 IonicContact OE2-NZ 2.77Å; E9-K13 PolarHBondContact OE2-NZ 3.48Å; R10-K13 PolarHBondContact O-N 3.03Å; K13-I17 WeakPolarHBondContact O-CD1 3.42Å; K13-I17 VanDerWaalsContact O-CG1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.5Å; K13-I17 PolarHBondContact O-N 2.76Å; K13-I17 VanDerWaalsContact O-N 3.12Å
14	F	63.6	Low	58.3	Low	139 Å²	139	123.5 Å²	123.5	61%	0.61	61%	0.611	S	S	*	*	H	α-helix	trans	-68.3	-37.4	174.7	-83.5	-77.3	0	0	0	112.7	R10 S11 I17 L18	R10-F14 WeakPolarHBondContact O-CD2 3.3Å; R10-F14 PolarHBondContact O-N 3.13Å; R10-F14 VanDerWaalsContact O-N 3.12Å; S11-F14 PolarHBondContact O-N 2.77Å; F14-I17 PolarHBondContact O-N 2.97Å; F14-L18 WeakPolarHBondContact O-CB 3.41Å; F14-L18 WeakPolarHBondContact O-CG 3.36Å; F14-L18 PolarHBondContact O-N 3.38Å
15	L	65.9	Low	58.1	Low	103 Å²	103	122.7 Å²	122.7	54%	0.539	61%	0.614	S	S	.	*	H	α-helix	trans	-69.5	-38.7	178.9	-143.2	157.3	0	0	0	111.6	S11 T12 L18 I19	S11-L15 VanDerWaalsContact O-CB 3.31Å; S11-L15 WeakPolarHBondContact O-CB 3.37Å; S11-L15 PolarHBondContact O-N 2.77Å; T12-L15 PolarHBondContact O-N 3.39Å; L15-L18 PolarHBondContact O-N 3.34Å; L15-I19 HydrophobicContact CD2-CD1 3.67Å; L15-I19 HydrophobicContact CD2-CG1 4.22Å; L15-I19 VanDerWaalsContact O-CG1 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.44Å; L15-I19 PolarHBondContact O-N 2.88Å
16	L	65.5	Low	58.1	Low	109 Å²	109	121.6 Å²	121.6	57%	0.571	62%	0.617	S	S	*	*	H	α-helix	trans	-65.1	-39.7	172.6	-84.7	163.8	0	0	0	112.6	T12 I19 L20	T12-L16 WeakPolarHBondContact O-CB 3.18Å; T12-L16 PolarHBondContact O-N 3.32Å; L16-I19 PolarHBondContact O-N 3Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.36Å; L16-L20 VanDerWaalsContact O-N 3.16Å
17	I	68.2	Low	57.6	Low	94 Å²	94	121.7 Å²	121.7	48%	0.482	62%	0.622	S	S	.	*	H	α-helix	trans	-68.1	-38.3	176.2	-68.8	166.5	0	0	0	111.1	K13 F14 L20 L21	K13-I17 WeakPolarHBondContact O-CD1 3.42Å; K13-I17 VanDerWaalsContact O-CG1 3.24Å; K13-I17 WeakPolarHBondContact O-CG1 3.5Å; K13-I17 PolarHBondContact O-N 2.76Å; K13-I17 VanDerWaalsContact O-N 3.12Å; F14-I17 PolarHBondContact O-N 2.97Å; I17-L20 PolarHBondContact O-N 3.35Å; I17-L21 HydrophobicContact CG2-CD1 3.97Å; I17-L21 PolarHBondContact O-N 3.3Å
18	L	63.2	Low	57.5	Low	121 Å²	121	126.4 Å²	126.4	63%	0.634	63%	0.633	S	S	*	*	H	α-helix	trans	-67.7	-32.6	175.3	-84.1	162.1	0	0	0	113	F14 L15 L20	F14-L18 WeakPolarHBondContact O-CB 3.41Å; F14-L18 WeakPolarHBondContact O-CG 3.36Å; F14-L18 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 3.34Å; L18-L20 VanDerWaalsContact C-N 3.34Å
19	I	64.3	Low	57.2	Low	109 Å²	109	121.6 Å²	121.6	56%	0.559	62%	0.62	S	S	*	*	H	α-helix	trans	-67.4	-37.2	172.5	-69.6	164.1	0	0	0	110.7	L15 L16	L15-I19 HydrophobicContact CD2-CD1 3.67Å; L15-I19 HydrophobicContact CD2-CG1 4.22Å; L15-I19 VanDerWaalsContact O-CG1 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.44Å; L15-I19 PolarHBondContact O-N 2.88Å; L16-I19 PolarHBondContact O-N 3Å
20	L	59.7	Low	57.2	Low	148 Å²	148	120.3 Å²	120.3	78%	0.775	61%	0.614	S	S	*	*	H	α-helix	trans	-74.7	-25.5	178.7	-70.5	170.8	0	0	0	113.9	L16 I17 L18 R22	L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.36Å; L16-L20 VanDerWaalsContact O-N 3.16Å; I17-L20 PolarHBondContact O-N 3.35Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L20-R22 VanDerWaalsContact C-N 3.35Å
21	L	57.3	Low	57.3	Low	126 Å²	126	113.1 Å²	113.1	66%	0.66	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-4.9	178.8	-83.7	163.8	0	0	0	114.3	I17 T23	I17-L21 HydrophobicContact CG2-CD1 3.97Å; I17-L21 PolarHBondContact O-N 3.3Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 3.47Å
22	R	50.9	Low	57.7	Low	216 Å²	216	115 Å²	115	82%	0.815	59%	0.593	S	S	*	*			trans	-76.3	91.4	174	-152.7	174.6	-166.5	158.1	2.1	108.5	L20 P24	L20-R22 VanDerWaalsContact C-N 3.35Å; R22-P24 WeakPolarHBondContact O-CD 3.48Å
23	T	53.3	Low	58.3	Low	113 Å²	113	115.3 Å²	115.3	69%	0.693	61%	0.606	S	S	*	*			trans	-54.2	120.9	165.2	51.7	0	0	0	0	107.8	L21 Q25	L21-T23 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 3.47Å; T23-Q25 PolarHBondContact O-N 2.95Å
24	P	52.3	Low	59.7	Low	122 Å²	122	110.1 Å²	110.1	79%	0.792	58%	0.584	S	S	*	*			trans	-58.9	117.7	173	23.7	-30.5	0	0	0	107.3	R22 S26	R22-P24 WeakPolarHBondContact O-CD 3.48Å; P24-S26 PolarHBondContact O-N 3.15Å
25	Q	47.3	Very low	61	Low	179 Å²	179	104.3 Å²	104.3	84%	0.836	56%	0.558	S	S	*	*			trans	-63.1	111.5	171	-70.9	-171.2	-49.4	0	0	106.8	T23 S27	T23-Q25 PolarHBondContact O-N 2.95Å; Q25-S27 PolarHBondContact O-N 2.86Å
26	S	47.6	Very low	62.2	Low	104 Å²	104	99.6 Å²	99.6	73%	0.727	53%	0.534	S	S	*	.			trans	-67.6	95.7	171.2	-175.9	0	0	0	0	107.6	P24	P24-S26 PolarHBondContact O-N 3.15Å
27	S	44.2	Very low	63.1	Low	88 Å²	88	95.5 Å²	95.5	62%	0.615	52%	0.518	S	S	*	.			trans	-151.6	131.7	173.1	-63.2	0	0	0	0	107.3	Q25	Q25-S27 PolarHBondContact O-N 2.86Å
28	Y	50.6	Low	63.9	Low	205 Å²	205	97.7 Å²	97.7	80%	0.804	53%	0.526	S	S	*	.			trans	81.6	79.5	-165.9	-49.4	-71.1	0	0	0	114.9	Q30	Y28-Q30 PolarHBondContact O-N 3.46Å
29	A	52.6	Low	65.1	Low	44 Å²	44	95.6 Å²	95.6	36%	0.364	51%	0.513	S	S	.	.			trans	-72.2	13.4	163.8	0	0	0	0	0	113.3	P111	A29-P111 HydrophobicContact CB-CB 3.58Å; A29-P111 HydrophobicContact CB-CG 4.05Å
30	Q	56.6	Low	66.4	Low	88 Å²	88	91.5 Å²	91.5	41%	0.411	49%	0.493	S	S	.	.			trans	-119.8	116.6	178.2	-75.4	142.4	-15.6	0	0	107.7	Y28 E38	Y28-Q30 PolarHBondContact O-N 3.46Å; Q30-E38 WeakPolarHBondContact CG-O 3.26Å; Q30-E38 PolarHBondContact NE2-O 2.95Å; Q30-E38 PolarHBondContact OE1-O 3.44Å
31	I	59.1	Low	68.1	Low	29 Å²	29	84.4 Å²	84.4	15%	0.149	46%	0.456	C	S	.	.			trans	-96	114.1	-178.1	-61.4	163.1	0	0	0	106.9	G33 I34 M114 Y118	I31-G33 PolarHBondContact O-N 3.02Å; I31-I34 HydrophobicContact CB-CD1 3.79Å; I31-I34 HydrophobicContact CB-CG1 3.73Å; I31-I34 HydrophobicContact CD1-CD1 3.73Å; I31-I34 HydrophobicContact CG1-CD1 4.34Å; I31-I34 HydrophobicContact CG2-CD1 3.92Å; I31-I34 HydrophobicContact CG2-CG1 3.83Å; I31-I34 PolarHBondContact O-N 3.2Å; I31-M114 HydrophobicContact CD1-CB 4.31Å; I31-M114 HydrophobicContact CD1-CG 3.65Å; I31-M114 HydrophobicContact CG1-CG 4.27Å; I31-M114 HydrophobicContact CG2-CE 4.21Å; I31-Y118 HydrophobicContact CG2-CD2 4.39Å; I31-Y118 HydrophobicContact CG2-CE2 4.19Å
32	D	68.8	Low	69.9	Low	113 Å²	113	78.9 Å²	78.9	60%	0.604	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	127.2	175.2	-79.3	-22.8	0	0	0	111.1	E38	D32-E38 WeakPolarHBondContact OD1-CG 3.29Å
33	G	76	Confident	72	Confident	58 Å²	58	73.1 Å²	73.1	60%	0.598	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	-4	173.4	0	0	0	0	0	116.8	I31	I31-G33 PolarHBondContact O-N 3.02Å
34	I	86.4	Confident	73.9	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.026	38%	0.379	C	S	.	.	S	Bend	trans	-117.2	155.3	171.4	64.3	168.9	0	0	0	111.9	I31 C36 G37 Y118 Y121 Y122	I31-I34 HydrophobicContact CB-CD1 3.79Å; I31-I34 HydrophobicContact CB-CG1 3.73Å; I31-I34 HydrophobicContact CD1-CD1 3.73Å; I31-I34 HydrophobicContact CG1-CD1 4.34Å; I31-I34 HydrophobicContact CG2-CD1 3.92Å; I31-I34 HydrophobicContact CG2-CG1 3.83Å; I31-I34 PolarHBondContact O-N 3.2Å; I34-C36 PolarHBondContact O-N 3.33Å; I34-C36 VanDerWaalsContact O-N 3.16Å; I34-G37 PolarHBondContact O-N 3.41Å; I34-Y118 HydrophobicContact CD1-CD2 4.21Å; I34-Y118 HydrophobicContact CG2-CD2 3.75Å; I34-Y118 HydrophobicContact CG2-CE2 3.44Å; I34-Y118 VanDerWaalsContact CG2-CE2 3.44Å; I34-Y121 HydrophobicContact CB-CD1 3.96Å; I34-Y121 HydrophobicContact CB-CD2 4.37Å; I34-Y121 HydrophobicContact CB-CE1 4.12Å; I34-Y121 HydrophobicContact CB-CG 4.09Å; I34-Y121 HydrophobicContact CG2-CD1 3.67Å; I34-Y121 HydrophobicContact CG2-CE1 3.95Å; I34-Y121 HydrophobicContact CG2-CG 4.2Å; I34-Y122 HydrophobicContact CG2-CE2 4.12Å
35	Y	90.3	Very high	75.9	Confident	17 Å²	17	62 Å²	62	7%	0.067	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	-117	-175.1	-54.5	-80.4	0	0	0	112.8	T90 I94 Y104 M107 Y121	Y35-T90 WeakPolarHBondContact O-CG2 3.48Å; Y35-I94 HydrophobicContact CD1-CD1 3.65Å; Y35-I94 HydrophobicContact CD1-CG1 4.04Å; Y35-I94 HydrophobicContact CD1-CG2 4.12Å; Y35-I94 HydrophobicContact CG-CD1 4.21Å; Y35-Y104 AromaticContact CD1-CD2 3.56Å; Y35-Y104 HydrophobicContact CD1-CD2 3.56Å; Y35-Y104 HydrophobicContact CD1-CE2 4.29Å; Y35-Y104 HydrophobicContact CD1-CG 4.41Å; Y35-Y104 HydrophobicContact CD2-CD2 4.1Å; Y35-Y104 HydrophobicContact CD2-CE2 4.4Å; Y35-Y104 AromaticContact CE1-CD2 3.95Å; Y35-Y104 HydrophobicContact CE1-CD2 3.95Å; Y35-Y104 HydrophobicContact CE2-CD2 4.46Å; Y35-Y104 AromaticContact CG-CD2 3.63Å; Y35-Y104 HydrophobicContact CG-CD2 3.63Å; Y35-Y104 AromaticContact CG-CE2 3.95Å; Y35-Y104 HydrophobicContact CG-CE2 3.95Å; Y35-M107 HydrophobicContact CD2-CE 3.78Å; Y35-M107 HydrophobicContact CE2-CB 4.48Å; Y35-M107 HydrophobicContact CE2-CE 4.02Å; Y35-M107 HydrophobicContact CE2-CG 4.15Å; Y35-M107 HydrophobicContact CG-CE 4.45Å; Y35-Y121 AromaticContact CD1-CD2 3.7Å; Y35-Y121 HydrophobicContact CD1-CD2 3.7Å; Y35-Y121 HydrophobicContact CD1-CE2 4.09Å; Y35-Y121 HydrophobicContact CD2-CD2 4.24Å; Y35-Y121 AromaticContact CE1-CD2 3.75Å; Y35-Y121 HydrophobicContact CE1-CD2 3.75Å; Y35-Y121 HydrophobicContact CE2-CD2 4.26Å; Y35-Y121 AromaticContact CG-CD2 3.98Å; Y35-Y121 HydrophobicContact CG-CD2 3.98Å; Y35-Y121 HydrophobicContact CG-CE2 4.23Å
36	C	91	Very high	78.2	Confident	4 Å²	4	59.8 Å²	59.8	3%	0.027	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	13.5	-177.2	-61.4	0	0	0	0	113.8	I34 E39 C41 V44 A91	I34-C36 PolarHBondContact O-N 3.33Å; I34-C36 VanDerWaalsContact O-N 3.16Å; C36-E39 CarbonylContact C-O 3.39Å; C36-E39 VanDerWaalsContact CB-O 3.26Å; C36-E39 WeakPolarHBondContact CB-O 3.48Å; C36-C41 HydrophobicContact CB-CB 4.1Å; C36-C41 WeakPolarHBondContact CB-SG 3.17Å; C36-C41 WeakPolarHBondContact SG-CA 3.41Å; C36-C41 WeakPolarHBondContact SG-CB 3.42Å; C36-C41 CovalentContact SG-SG 2.05Å; C36-C41 PolarHBondContact SG-SG 3Å; C36-V44 HydrophobicContact CB-CG2 4.14Å; C36-A91 WeakPolarHBondContact SG-CA 3.4Å; C36-A91 VanDerWaalsContact SG-CB 3.52Å
37	G	86.2	Confident	80.4	Confident	23 Å²	23	55.3 Å²	55.3	24%	0.237	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-130.5	177.5	0	0	0	0	0	112.7	I34 E39	I34-G37 PolarHBondContact O-N 3.41Å; G37-E39 VanDerWaalsContact C-N 3.32Å
38	E	84.8	Confident	82.8	Confident	139 Å²	139	54.6 Å²	54.6	65%	0.65	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-26	179.7	-62.1	-178.1	-173.6	0	0	113	Q30 D32	Q30-E38 WeakPolarHBondContact CG-O 3.26Å; Q30-E38 PolarHBondContact NE2-O 2.95Å; Q30-E38 PolarHBondContact OE1-O 3.44Å; D32-E38 WeakPolarHBondContact OD1-CG 3.29Å
39	E	88.2	Confident	84.8	Confident	77 Å²	77	50 Å²	50	36%	0.36	27%	0.272	S	S	.	.	S	Bend	trans	-94.2	148.2	178	-69	-179.3	-148.6	0	0	111.3	C36 G37 V44 R84	C36-E39 CarbonylContact C-O 3.39Å; C36-E39 VanDerWaalsContact CB-O 3.26Å; C36-E39 WeakPolarHBondContact CB-O 3.48Å; G37-E39 VanDerWaalsContact C-N 3.32Å; E39-V44 HydrophobicContact CB-CG2 3.79Å; E39-V44 WeakPolarHBondContact OE2-CG2 3.28Å; E39-R84 IonicContact OE1-CZ 2.91Å; E39-R84 IonicContact OE1-NH1 3.84Å; E39-R84 PolarHBondContact OE1-NH1 3.1Å; E39-R84 IonicContact OE1-NH2 3.72Å; E39-R84 IonicContact OE2-CZ 2.65Å; E39-R84 VanDerWaalsContact OE2-CZ 3.22Å; E39-R84 IonicContact OE2-NH1 3.93Å; E39-R84 PolarHBondContact OE2-NH1 3.15Å; E39-R84 IonicContact OE2-NH2 3.8Å; E39-R84 PolarHBondContact OE2-NH2 3.08Å
40	T	91.7	Very high	86.7	Confident	23 Å²	23	54.9 Å²	54.9	14%	0.141	29%	0.293	C	S	.	.			trans	-72.1	145.5	170.7	78.9	0	0	0	0	110.1	Y42 D43 V44 Y104 L108	T40-Y42 PolarHBondContact O-N 3.2Å; T40-Y42 VanDerWaalsContact O-N 3.12Å; T40-D43 WeakPolarHBondContact CB-OD2 3.47Å; T40-D43 WeakPolarHBondContact CG2-OD2 3.46Å; T40-D43 PolarHBondContact O-N 2.87Å; T40-D43 WeakPolarHBondContact OG1-CB 3.18Å; T40-D43 PolarHBondContact OG1-N 3.06Å; T40-D43 PolarHBondContact OG1-OD2 3.36Å; T40-V44 WeakPolarHBondContact O-CG2 3.41Å; T40-V44 PolarHBondContact O-N 3.16Å; T40-Y104 WeakPolarHBondContact CA-OH 2.99Å; T40-Y104 VanDerWaalsContact CB-OH 3.29Å; T40-Y104 WeakPolarHBondContact CB-OH 3.23Å; T40-L108 HydrophobicContact CG2-CD2 4.29Å
41	C	94.1	Very high	88.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-25.9	175.6	-61.4	0	0	0	0	113	C36 L45 A91 I94 L95 Y104	C36-C41 HydrophobicContact CB-CB 4.1Å; C36-C41 WeakPolarHBondContact CB-SG 3.17Å; C36-C41 WeakPolarHBondContact SG-CA 3.41Å; C36-C41 WeakPolarHBondContact SG-CB 3.42Å; C36-C41 CovalentContact SG-SG 2.05Å; C36-C41 PolarHBondContact SG-SG 3Å; C41-L45 PolarHBondContact O-N 3.45Å; C41-A91 HydrophobicContact CB-CB 3.85Å; C41-I94 VanDerWaalsContact SG-CD1 3.56Å; C41-L95 HydrophobicContact CB-CD1 4Å; C41-L95 HydrophobicContact CB-CD2 4.47Å; C41-L95 HydrophobicContact CB-CG 4.1Å; C41-L95 WeakPolarHBondContact O-CD1 3.4Å; C41-Y104 HydrophobicContact CB-CE1 3.9Å; C41-Y104 HydrophobicContact CB-CE2 4.43Å; C41-Y104 PolarHBondContact N-OH 3.2Å
42	Y	96.2	Very high	90.2	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-47.5	171.9	-69	-65.6	0	0	0	111.6	T40 V44 L45 Q46 V47 R49 L95 R101 Y104 D105 L108	T40-Y42 PolarHBondContact O-N 3.2Å; T40-Y42 VanDerWaalsContact O-N 3.12Å; Y42-V44 VanDerWaalsContact C-N 3.34Å; Y42-V44 PolarHBondContact O-N 3.09Å; Y42-L45 CarbonylContact O-C 3.6Å; Y42-L45 PolarHBondContact O-N 3.03Å; Y42-Q46 WeakPolarHBondContact O-CA 3.34Å; Y42-Q46 PolarHBondContact O-N 3.2Å; Y42-V47 CarbonylContact C-O 3.55Å; Y42-V47 VanDerWaalsContact CB-O 3.3Å; Y42-V47 WeakPolarHBondContact CB-O 3.12Å; Y42-V47 HydrophobicContact CD1-CG2 4.01Å; Y42-V47 PolarHBondContact O-N 2.57Å; Y42-R49 HydrophobicContact CD1-CG 4.49Å; Y42-R49 HydrophobicContact CD2-CG 3.92Å; Y42-R49 HydrophobicContact CE1-CB 4.45Å; Y42-R49 HydrophobicContact CE1-CG 4.26Å; Y42-R49 HydrophobicContact CE2-CG 3.65Å; Y42-R49 HydrophobicContact CG-CG 4.35Å; Y42-L95 HydrophobicContact CD1-CD1 3.84Å; Y42-L95 HydrophobicContact CD1-CD2 4.13Å; Y42-L95 HydrophobicContact CE1-CD1 3.97Å; Y42-L95 HydrophobicContact CE1-CD2 3.5Å; Y42-L95 HydrophobicContact CE1-CG 4.39Å; Y42-L95 HydrophobicContact CE2-CD2 4.05Å; Y42-L95 HydrophobicContact CG-CD1 4.4Å; Y42-L95 VanDerWaalsContact CZ-CD2 3.46Å; Y42-R101 WeakPolarHBondContact OH-CG 3.44Å; Y42-R101 PolarHBondContact OH-NE 3.12Å; Y42-Y104 HydrophobicContact CD2-CD1 4.45Å; Y42-Y104 AromaticContact CD2-CE1 3.72Å; Y42-Y104 HydrophobicContact CD2-CE1 3.72Å; Y42-Y104 AromaticContact CE2-CD1 3.84Å; Y42-Y104 HydrophobicContact CE2-CD1 3.84Å; Y42-Y104 AromaticContact CE2-CE1 3.56Å; Y42-Y104 HydrophobicContact CE2-CE1 3.56Å; Y42-D105 WeakPolarHBondContact CE2-OD1 3.49Å; Y42-D105 VanDerWaalsContact CZ-OD1 3.27Å; Y42-D105 VanDerWaalsContact OH-CG 3.27Å; Y42-D105 PolarHBondContact OH-OD1 3.45Å; Y42-D105 PolarHBondContact OH-OD2 2.89Å; Y42-L108 HydrophobicContact CD2-CD1 4.15Å; Y42-L108 HydrophobicContact CE2-CD1 4.06Å
43	D	94.5	Very high	91.4	Very high	96 Å²	96	56.3 Å²	56.3	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-38.5	177.3	-60.1	-37.1	0	0	0	111.8	T40 L45 Q46	T40-D43 WeakPolarHBondContact CB-OD2 3.47Å; T40-D43 WeakPolarHBondContact CG2-OD2 3.46Å; T40-D43 PolarHBondContact O-N 2.87Å; T40-D43 WeakPolarHBondContact OG1-CB 3.18Å; T40-D43 PolarHBondContact OG1-N 3.06Å; T40-D43 PolarHBondContact OG1-OD2 3.36Å; D43-L45 VanDerWaalsContact C-N 3.31Å; D43-L45 PolarHBondContact O-N 3.02Å; D43-Q46 PolarHBondContact O-N 3.06Å; D43-Q46 VanDerWaalsContact O-N 3.15Å
44	V	94	Very high	92.2	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-41.3	178	173.7	0	0	0	0	111.8	C36 E39 T40 Y42 L87 I88 A91	C36-V44 HydrophobicContact CB-CG2 4.14Å; E39-V44 HydrophobicContact CB-CG2 3.79Å; E39-V44 WeakPolarHBondContact OE2-CG2 3.28Å; T40-V44 WeakPolarHBondContact O-CG2 3.41Å; T40-V44 PolarHBondContact O-N 3.16Å; Y42-V44 VanDerWaalsContact C-N 3.34Å; Y42-V44 PolarHBondContact O-N 3.09Å; V44-L87 HydrophobicContact CG1-CB 4.24Å; V44-I88 HydrophobicContact CG1-CB 4.46Å; V44-I88 HydrophobicContact CG1-CG1 3.9Å; V44-A91 HydrophobicContact CB-CB 3.97Å; V44-A91 HydrophobicContact CG1-CB 3.8Å
45	L	94.6	Very high	92.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-90.4	-6.1	176.9	-67.8	-174.6	0	0	0	114	C41 Y42 D43 V47 I56 A59 I88 A91 L95	C41-L45 PolarHBondContact O-N 3.45Å; Y42-L45 CarbonylContact O-C 3.6Å; Y42-L45 PolarHBondContact O-N 3.03Å; D43-L45 VanDerWaalsContact C-N 3.31Å; D43-L45 PolarHBondContact O-N 3.02Å; L45-V47 VanDerWaalsContact C-N 3.29Å; L45-V47 HydrophobicContact CB-CG1 4.34Å; L45-V47 HydrophobicContact CB-CG2 3.79Å; L45-V47 PolarHBondContact O-N 3.06Å; L45-I56 HydrophobicContact CD1-CG2 3.96Å; L45-A59 WeakPolarHBondContact O-CB 3.28Å; L45-I88 HydrophobicContact CD2-CG2 3.92Å; L45-A91 HydrophobicContact CD1-CB 4.25Å; L45-A91 HydrophobicContact CD2-CB 4.35Å; L45-A91 HydrophobicContact CG-CB 3.85Å; L45-L95 HydrophobicContact CD1-CD1 4.01Å
46	Q	94	Very high	92.9	Very high	133 Å²	133	62.9 Å²	62.9	62%	0.621	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	42.9	-172.9	-56.4	-178.8	-2.3	0	0	113	Y42 D43 M63	Y42-Q46 WeakPolarHBondContact O-CA 3.34Å; Y42-Q46 PolarHBondContact O-N 3.2Å; D43-Q46 PolarHBondContact O-N 3.06Å; D43-Q46 VanDerWaalsContact O-N 3.15Å; Q46-M63 HydrophobicContact CB-CE 3.8Å; Q46-M63 HydrophobicContact CG-CE 3.53Å
47	V	95.3	Very high	93.2	Very high	9 Å²	9	69.6 Å²	69.6	6%	0.055	34%	0.341	C	S	.	.			trans	-120.5	155.6	176.9	-66.2	0	0	0	0	110.4	Y42 L45 D51 I56 A59 L95	Y42-V47 CarbonylContact C-O 3.55Å; Y42-V47 VanDerWaalsContact CB-O 3.3Å; Y42-V47 WeakPolarHBondContact CB-O 3.12Å; Y42-V47 HydrophobicContact CD1-CG2 4.01Å; Y42-V47 PolarHBondContact O-N 2.57Å; L45-V47 VanDerWaalsContact C-N 3.29Å; L45-V47 HydrophobicContact CB-CG1 4.34Å; L45-V47 HydrophobicContact CB-CG2 3.79Å; L45-V47 PolarHBondContact O-N 3.06Å; V47-D51 WeakPolarHBondContact CA-OD2 3.17Å; V47-D51 HydrophobicContact CB-CB 4.26Å; V47-D51 VanDerWaalsContact CB-OD2 3.28Å; V47-D51 WeakPolarHBondContact CB-OD2 3.18Å; V47-I56 HydrophobicContact CG2-CG1 4.16Å; V47-A59 HydrophobicContact CG1-CB 3.42Å; V47-A59 VanDerWaalsContact CG1-CB 3.42Å; V47-L95 HydrophobicContact CG2-CD1 4.09Å
48	T	94.6	Very high	93.7	Very high	74 Å²	74	74.7 Å²	74.7	45%	0.454	36%	0.356	S	S	.	.			trans	-94.9	161.6	178.1	52.8	0	0	0	0	111.9	D50 D51	T48-D50 PolarHBondContact O-N 3.2Å; T48-D50 VanDerWaalsContact O-N 3.1Å; T48-D51 PolarHBondContact N-OD2 2.96Å; T48-D51 WeakPolarHBondContact O-CB 3.45Å; T48-D51 PolarHBondContact O-N 2.8Å; T48-D51 VanDerWaalsContact OG1-CG 3.27Å; T48-D51 PolarHBondContact OG1-OD1 2.84Å; T48-D51 PolarHBondContact OG1-OD2 3.06Å
49	R	92.3	Very high	94.2	Very high	107 Å²	107	68.6 Å²	68.6	40%	0.404	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.6	175.3	-63.7	-163.7	-172.6	-175.9	5.9	113.8	Y42 R101 L108 D109	Y42-R49 HydrophobicContact CD1-CG 4.49Å; Y42-R49 HydrophobicContact CD2-CG 3.92Å; Y42-R49 HydrophobicContact CE1-CB 4.45Å; Y42-R49 HydrophobicContact CE1-CG 4.26Å; Y42-R49 HydrophobicContact CE2-CG 3.65Å; Y42-R49 HydrophobicContact CG-CG 4.35Å; R49-R101 PolarHBondContact O-NH2 3.04Å; R49-L108 VanDerWaalsContact NH2-CB 3.3Å; R49-D109 IonicContact CZ-OD1 3.38Å; R49-D109 IonicContact NH1-OD1 3.71Å; R49-D109 PolarHBondContact NH1-OD1 3.07Å; R49-D109 IonicContact NH1-OD2 2.83Å; R49-D109 IonicContact NH2-OD1 2.77Å
50	D	92.7	Very high	94.6	Very high	147 Å²	147	67.1 Å²	67.1	79%	0.786	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.9	178	-55.3	-50.7	0	0	0	113.8	T48	T48-D50 PolarHBondContact O-N 3.2Å; T48-D50 VanDerWaalsContact O-N 3.1Å
51	D	94.2	Very high	94.8	Very high	10 Å²	10	70.3 Å²	70.3	5%	0.053	33%	0.334	C	S	.	.			trans	-73.6	135.8	-174.4	-79.5	-26.7	0	0	0	112.6	V47 T48 R55 I56 R101	V47-D51 WeakPolarHBondContact CA-OD2 3.17Å; V47-D51 HydrophobicContact CB-CB 4.26Å; V47-D51 VanDerWaalsContact CB-OD2 3.28Å; V47-D51 WeakPolarHBondContact CB-OD2 3.18Å; T48-D51 PolarHBondContact N-OD2 2.96Å; T48-D51 WeakPolarHBondContact O-CB 3.45Å; T48-D51 PolarHBondContact O-N 2.8Å; T48-D51 VanDerWaalsContact OG1-CG 3.27Å; T48-D51 PolarHBondContact OG1-OD1 2.84Å; T48-D51 PolarHBondContact OG1-OD2 3.06Å; D51-R55 HydrophobicContact CB-CB 4.27Å; D51-R55 HydrophobicContact CB-CG 4.22Å; D51-R55 WeakPolarHBondContact OD1-CD 3.48Å; D51-R55 IonicContact OD1-CZ 3.15Å; D51-R55 IonicContact OD1-NE 3.3Å; D51-R55 PolarHBondContact OD1-NE 2.76Å; D51-R55 IonicContact OD1-NH1 3.69Å; D51-R55 PolarHBondContact OD1-NH1 3.34Å; D51-R55 IonicContact OD2-CZ 3.39Å; D51-R55 IonicContact OD2-NE 3.21Å; D51-R55 PolarHBondContact OD2-NE 3.2Å; D51-R55 IonicContact OD2-NH1 3.2Å; D51-R55 IonicContact OD2-NH2 3.97Å; D51-I56 HydrophobicContact CB-CG1 4.45Å; D51-R101 VanDerWaalsContact O-CZ 3.3Å; D51-R101 PolarHBondContact O-NH1 2.9Å; D51-R101 PolarHBondContact O-NH2 3.04Å
52	D	93.7	Very high	94.9	Very high	126 Å²	126	75.5 Å²	75.5	67%	0.674	36%	0.358	S	S	*	.			trans	-67.1	156.6	175.6	-73.9	-34.4	0	0	0	112.5	S54 R55 I56	D52-S54 PolarHBondContact O-N 3.28Å; D52-R55 PolarHBondContact O-N 3.33Å; D52-I56 PolarHBondContact O-N 2.64Å
53	K	93.5	Very high	94.8	Very high	125 Å²	125	75.7 Å²	75.7	54%	0.543	36%	0.36	S	S	.	.	H	α-helix	trans	-51.2	-33.7	175.4	-175.9	168.7	178.4	153.9	0	113.5	R57 S96	K53-R57 WeakPolarHBondContact O-CB 3.36Å; K53-R57 PolarHBondContact O-N 3.05Å; K53-S96 WeakPolarHBondContact CE-O 3.46Å; K53-S96 PolarHBondContact NZ-O 3.16Å
54	S	94.7	Very high	94.8	Very high	77 Å²	77	71.7 Å²	71.7	54%	0.538	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-42.2	176.3	-176.6	0	0	0	0	112.2	D52 R57 K58	D52-S54 PolarHBondContact O-N 3.28Å; S54-R57 PolarHBondContact O-N 2.98Å; S54-K58 WeakPolarHBondContact O-CG 3.44Å; S54-K58 PolarHBondContact O-N 3.43Å; S54-K58 VanDerWaalsContact O-N 3.09Å
55	R	95.8	Very high	94.8	Very high	140 Å²	140	79 Å²	79	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-70.2	-42	178	-179	160.9	173.4	-167.7	7.3	111.4	D51 D52 R57 K58 A59	D51-R55 HydrophobicContact CB-CB 4.27Å; D51-R55 HydrophobicContact CB-CG 4.22Å; D51-R55 WeakPolarHBondContact OD1-CD 3.48Å; D51-R55 IonicContact OD1-CZ 3.15Å; D51-R55 IonicContact OD1-NE 3.3Å; D51-R55 PolarHBondContact OD1-NE 2.76Å; D51-R55 IonicContact OD1-NH1 3.69Å; D51-R55 PolarHBondContact OD1-NH1 3.34Å; D51-R55 IonicContact OD2-CZ 3.39Å; D51-R55 IonicContact OD2-NE 3.21Å; D51-R55 PolarHBondContact OD2-NE 3.2Å; D51-R55 IonicContact OD2-NH1 3.2Å; D51-R55 IonicContact OD2-NH2 3.97Å; D52-R55 PolarHBondContact O-N 3.33Å; R55-R57 VanDerWaalsContact C-N 3.3Å; R55-R57 PolarHBondContact O-N 3.41Å; R55-K58 PolarHBondContact O-N 3.03Å; R55-K58 VanDerWaalsContact O-N 3.16Å; R55-A59 WeakPolarHBondContact O-CB 3.29Å; R55-A59 PolarHBondContact O-N 3.09Å
56	I	95.7	Very high	94.6	Very high	0 Å²	0	85 Å²	85	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-56.4	-44.4	173.4	-67.8	164.1	0	0	0	111.1	L45 V47 D51 D52 A59 Y60 Y92 L95	L45-I56 HydrophobicContact CD1-CG2 3.96Å; V47-I56 HydrophobicContact CG2-CG1 4.16Å; D51-I56 HydrophobicContact CB-CG1 4.45Å; D52-I56 PolarHBondContact O-N 2.64Å; I56-A59 PolarHBondContact O-N 3.49Å; I56-Y60 WeakPolarHBondContact O-CB 3.49Å; I56-Y60 PolarHBondContact O-N 3.39Å; I56-Y92 HydrophobicContact CG2-CD2 4.01Å; I56-Y92 HydrophobicContact CG2-CE2 4.34Å; I56-L95 HydrophobicContact CD1-CB 4.25Å; I56-L95 HydrophobicContact CG2-CB 3.97Å
57	R	96	Very high	94.5	Very high	146 Å²	146	80.8 Å²	80.8	55%	0.551	37%	0.374	S	S	*	.	H	α-helix	trans	-64.3	-41.4	177	-173.4	176.7	-176	166.9	4.6	113	K53 S54 R55 H61 Y92	K53-R57 WeakPolarHBondContact O-CB 3.36Å; K53-R57 PolarHBondContact O-N 3.05Å; S54-R57 PolarHBondContact O-N 2.98Å; R55-R57 VanDerWaalsContact C-N 3.3Å; R55-R57 PolarHBondContact O-N 3.41Å; R57-H61 PolarHBondContact O-CD2 3.05Å; R57-H61 PolarHBondContact O-N 3.26Å; R57-Y92 HydrophobicContact CB-CE2 4.18Å; R57-Y92 HydrophobicContact CG-CE2 4.38Å
58	K	96.6	Very high	94.3	Very high	130 Å²	130	83.4 Å²	83.4	57%	0.565	39%	0.385	S	S	*	.	H	α-helix	trans	-64.2	-47.1	176.3	-72.5	177.2	-177.4	-178.8	0	111.4	S54 R55 Y60 H61 E62	S54-K58 WeakPolarHBondContact O-CG 3.44Å; S54-K58 PolarHBondContact O-N 3.43Å; S54-K58 VanDerWaalsContact O-N 3.09Å; R55-K58 PolarHBondContact O-N 3.03Å; R55-K58 VanDerWaalsContact O-N 3.16Å; K58-Y60 VanDerWaalsContact C-N 3.32Å; K58-Y60 PolarHBondContact O-N 2.84Å; K58-H61 PolarHBondContact O-N 3.48Å; K58-H61 VanDerWaalsContact O-N 3.1Å; K58-E62 PolarHBondContact O-N 3.1Å
59	A	96.2	Very high	94.1	Very high	11 Å²	11	81.3 Å²	81.3	9%	0.091	37%	0.373	C	S	.	.	H	α-helix	trans	-59.4	-42.7	178.1	0	0	0	0	0	111.7	L45 V47 R55 I56 H61 E62 M63	L45-A59 WeakPolarHBondContact O-CB 3.28Å; V47-A59 HydrophobicContact CG1-CB 3.42Å; V47-A59 VanDerWaalsContact CG1-CB 3.42Å; R55-A59 WeakPolarHBondContact O-CB 3.29Å; R55-A59 PolarHBondContact O-N 3.09Å; I56-A59 PolarHBondContact O-N 3.49Å; A59-H61 PolarHBondContact O-N 3.1Å; A59-E62 PolarHBondContact O-N 3.1Å; A59-M63 WeakPolarHBondContact O-CB 3.45Å; A59-M63 WeakPolarHBondContact O-CG 3.39Å; A59-M63 PolarHBondContact O-N 2.78Å
60	Y	96.9	Very high	94	Very high	46 Å²	46	82.6 Å²	82.6	18%	0.18	39%	0.388	C	S	.	.	H	α-helix	trans	-55.5	-49.5	171.7	168.8	-105.9	0	0	0	112.5	I56 K58 E62 M63 A64 I88 N89 Y92	I56-Y60 WeakPolarHBondContact O-CB 3.49Å; I56-Y60 PolarHBondContact O-N 3.39Å; K58-Y60 VanDerWaalsContact C-N 3.32Å; K58-Y60 PolarHBondContact O-N 2.84Å; Y60-E62 VanDerWaalsContact C-N 3.28Å; Y60-E62 PolarHBondContact O-N 3.4Å; Y60-M63 PolarHBondContact O-N 3.4Å; Y60-A64 HydrophobicContact CE2-CB 4.38Å; Y60-A64 WeakPolarHBondContact O-CB 3.47Å; Y60-A64 PolarHBondContact O-N 3.42Å; Y60-I88 HydrophobicContact CD2-CG2 3.69Å; Y60-I88 HydrophobicContact CE2-CG2 3.93Å; Y60-N89 WeakPolarHBondContact CE2-OD1 3.13Å; Y60-N89 PolarHBondContact OH-OD1 2.66Å; Y60-Y92 HydrophobicContact CD1-CD1 4.07Å; Y60-Y92 HydrophobicContact CD1-CD2 4.22Å; Y60-Y92 HydrophobicContact CD1-CE1 4.21Å; Y60-Y92 HydrophobicContact CD1-CE2 4.36Å; Y60-Y92 HydrophobicContact CD1-CG 4.07Å; Y60-Y92 VanDerWaalsContact CD2-CB 3.42Å; Y60-Y92 HydrophobicContact CD2-CD1 4.06Å; Y60-Y92 HydrophobicContact CD2-CD2 4.21Å; Y60-Y92 AromaticContact CD2-CG 3.63Å; Y60-Y92 HydrophobicContact CD2-CG 3.63Å; Y60-Y92 HydrophobicContact CE1-CD1 4.19Å; Y60-Y92 HydrophobicContact CE1-CE1 4.34Å; Y60-Y92 HydrophobicContact CE2-CD1 4.18Å; Y60-Y92 HydrophobicContact CE2-CG 4.18Å; Y60-Y92 AromaticContact CG-CD1 4Å; Y60-Y92 HydrophobicContact CG-CD1 4Å; Y60-Y92 AromaticContact CG-CD2 3.72Å; Y60-Y92 HydrophobicContact CG-CD2 3.72Å; Y60-Y92 HydrophobicContact CG-CE2 4.28Å; Y60-Y92 AromaticContact CG-CG 3.56Å; Y60-Y92 HydrophobicContact CG-CG 3.56Å
61	H	95.8	Very high	93.8	Very high	89 Å²	89	83.9 Å²	83.9	41%	0.412	38%	0.382	S	S	.	.	H	α-helix	trans	-64.5	-29.8	179	-70.7	-54.9	0	0	0	113.4	R57 K58 A59 R65	R57-H61 PolarHBondContact O-CD2 3.05Å; R57-H61 PolarHBondContact O-N 3.26Å; K58-H61 PolarHBondContact O-N 3.48Å; K58-H61 VanDerWaalsContact O-N 3.1Å; A59-H61 PolarHBondContact O-N 3.1Å; H61-R65 WeakPolarHBondContact O-CB 3.35Å; H61-R65 VanDerWaalsContact O-CG 3.24Å; H61-R65 WeakPolarHBondContact O-CG 3.24Å; H61-R65 PolarHBondContact O-N 3.27Å; H61-R65 PolarHBondContact O-NE 2.93Å
62	E	95.8	Very high	93.6	Very high	109 Å²	109	86.1 Å²	86.1	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-72.6	-48.4	173.9	-72.2	172.3	-169.8	0	0	111.7	K58 A59 Y60 R65 K66	K58-E62 PolarHBondContact O-N 3.1Å; A59-E62 PolarHBondContact O-N 3.1Å; Y60-E62 VanDerWaalsContact C-N 3.28Å; Y60-E62 PolarHBondContact O-N 3.4Å; E62-R65 PolarHBondContact O-N 3Å; E62-K66 PolarHBondContact O-N 3.1Å
63	M	94.3	Very high	93.3	Very high	13 Å²	13	89.5 Å²	89.5	6%	0.064	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-44	178.5	-67.8	-55.2	161	0	0	112.4	Q46 A59 Y60 R65 K66 H67 I88	Q46-M63 HydrophobicContact CB-CE 3.8Å; Q46-M63 HydrophobicContact CG-CE 3.53Å; A59-M63 WeakPolarHBondContact O-CB 3.45Å; A59-M63 WeakPolarHBondContact O-CG 3.39Å; A59-M63 PolarHBondContact O-N 2.78Å; Y60-M63 PolarHBondContact O-N 3.4Å; M63-R65 VanDerWaalsContact C-N 3.3Å; M63-R65 PolarHBondContact O-N 3.12Å; M63-K66 PolarHBondContact O-N 3.25Å; M63-K66 VanDerWaalsContact O-N 3.13Å; M63-H67 PolarHBondContact O-CD2 2.81Å; M63-H67 PolarHBondContact O-N 3.31Å; M63-I88 HydrophobicContact CB-CD1 3.84Å; M63-I88 HydrophobicContact CB-CG1 4.12Å; M63-I88 HydrophobicContact CB-CG2 3.97Å
64	A	94.1	Very high	93.2	Very high	13 Å²	13	86.6 Å²	86.6	11%	0.107	39%	0.394	C	S	.	.	H	α-helix	trans	-58.3	-42.6	175.6	0	0	0	0	0	111.5	Y60 H68 F85	Y60-A64 HydrophobicContact CE2-CB 4.38Å; Y60-A64 WeakPolarHBondContact O-CB 3.47Å; Y60-A64 PolarHBondContact O-N 3.42Å; A64-H68 WeakPolarHBondContact O-CB 3.1Å; A64-H68 PolarHBondContact O-N 3.07Å; A64-H68 VanDerWaalsContact O-N 3.12Å; A64-F85 HydrophobicContact CB-CE2 3.89Å
65	R	93.1	Very high	92.9	Very high	153 Å²	153	87.2 Å²	87.2	58%	0.577	40%	0.398	S	S	*	.	H	α-helix	trans	-68.4	-33.6	176.2	-78	-177.3	-63.8	163.6	1.6	112.8	H61 E62 M63 R71	H61-R65 WeakPolarHBondContact O-CB 3.35Å; H61-R65 VanDerWaalsContact O-CG 3.24Å; H61-R65 WeakPolarHBondContact O-CG 3.24Å; H61-R65 PolarHBondContact O-N 3.27Å; H61-R65 PolarHBondContact O-NE 2.93Å; E62-R65 PolarHBondContact O-N 3Å; M63-R65 VanDerWaalsContact C-N 3.3Å; M63-R65 PolarHBondContact O-N 3.12Å; R65-R71 WeakPolarHBondContact O-CD 3.45Å
66	K	91.5	Very high	92.6	Very high	128 Å²	128	86.9 Å²	86.9	56%	0.557	40%	0.402	S	S	*	.	H	α-helix	trans	-76.7	-39.9	-179.1	-173.8	179.6	178.5	-174.7	0	112.3	E62 M63	E62-K66 PolarHBondContact O-N 3.1Å; M63-K66 PolarHBondContact O-N 3.25Å; M63-K66 VanDerWaalsContact O-N 3.13Å
67	H	91.6	Very high	92.4	Very high	44 Å²	44	89.8 Å²	89.8	20%	0.204	42%	0.418	C	S	.	.	S	Bend	trans	-102.6	16	-174.4	-65.3	-74.8	0	0	0	113.5	M63 A81 R84 I88	M63-H67 PolarHBondContact O-CD2 2.81Å; M63-H67 PolarHBondContact O-N 3.31Å; H67-A81 WeakPolarHBondContact O-CB 3.39Å; H67-R84 HydrophobicContact CB-CB 4.47Å; H67-R84 HydrophobicContact CB-CG 4.17Å; H67-I88 HydrophobicContact CB-CD1 3.69Å
68	H	91.5	Very high	92.1	Very high	63 Å²	63	87.6 Å²	87.6	29%	0.292	41%	0.412	S	S	.	.			trans	-67.4	134	176	-158.9	-90.4	0	0	0	111.2	A64 D70 R71	A64-H68 WeakPolarHBondContact O-CB 3.1Å; A64-H68 PolarHBondContact O-N 3.07Å; A64-H68 VanDerWaalsContact O-N 3.12Å; H68-D70 VanDerWaalsContact C-N 3.26Å; H68-D70 VanDerWaalsContact CE1-CG 3.48Å; H68-D70 IonicContact CE1-OD2 3.73Å; H68-D70 PolarHBondContact CE1-OD2 2.98Å; H68-D70 WeakPolarHBondContact ND1-CB 3.46Å; H68-D70 PolarHBondContact ND1-N 3.44Å; H68-D70 IonicContact ND1-OD2 2.8Å; H68-D70 PolarHBondContact O-N 2.83Å; H68-R71 HydrophobicContact CB-CG 4.49Å; H68-R71 PolarHBondContact O-N 3.44Å; H68-R71 VanDerWaalsContact O-N 3.1Å
69	P	90	Very high	91.9	Very high	31 Å²	31	86.2 Å²	86.2	20%	0.201	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-59.1	-34.6	-179	22.7	-34.1	0	0	0	113.1	R71 Q72	P69-R71 PolarHBondContact O-N 3.22Å; P69-R71 VanDerWaalsContact O-N 3.1Å; P69-Q72 PolarHBondContact O-N 3.17Å
70	D	89.8	Confident	91.7	Very high	133 Å²	133	92 Å²	92	71%	0.711	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-63.6	-17.5	179.1	-63.6	-11.5	0	0	0	114.4	H68	H68-D70 VanDerWaalsContact C-N 3.26Å; H68-D70 VanDerWaalsContact CE1-CG 3.48Å; H68-D70 IonicContact CE1-OD2 3.73Å; H68-D70 PolarHBondContact CE1-OD2 2.98Å; H68-D70 WeakPolarHBondContact ND1-CB 3.46Å; H68-D70 PolarHBondContact ND1-N 3.44Å; H68-D70 IonicContact ND1-OD2 2.8Å; H68-D70 PolarHBondContact O-N 2.83Å
71	R	89	Confident	91.4	Very high	175 Å²	175	90.1 Å²	90.1	66%	0.66	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-90.3	-7.2	177.6	-66.3	-176.8	71.6	123.6	0.6	113.4	R65 H68 P69	R65-R71 WeakPolarHBondContact O-CD 3.45Å; H68-R71 HydrophobicContact CB-CG 4.49Å; H68-R71 PolarHBondContact O-N 3.44Å; H68-R71 VanDerWaalsContact O-N 3.1Å; P69-R71 PolarHBondContact O-N 3.22Å; P69-R71 VanDerWaalsContact O-N 3.1Å
72	Q	90	Very high	91.3	Very high	56 Å²	56	90.2 Å²	90.2	26%	0.262	43%	0.427	S	S	.	.			trans	-91.4	138.4	-178.3	-59.6	-57.2	-15	0	0	111.6	P69 D77 K78 A81	P69-Q72 PolarHBondContact O-N 3.17Å; Q72-D77 HydrophobicContact CB-CB 3.77Å; Q72-D77 HydrophobicContact CG-CB 4.15Å; Q72-K78 HydrophobicContact CB-CG 3.88Å; Q72-K78 WeakPolarHBondContact O-CE 3.05Å; Q72-A81 HydrophobicContact CG-CB 3.55Å
73	K	87.5	Confident	91.1	Very high	198 Å²	198	90.1 Å²	90.1	86%	0.861	43%	0.427	S	S	*	.	S	Bend	trans	-85.6	-40.8	-170.5	-64	-179.6	-178.8	178.6	0	112.6
74	T	90.6	Very high	91	Very high	64 Å²	64	92.1 Å²	92.1	39%	0.393	43%	0.434	S	S	.	.	S	Bend	trans	-96.6	156.6	-177.6	74.2	0	0	0	0	111.2	E76 D77 K78	T74-E76 VanDerWaalsContact C-N 3.3Å; T74-E76 PolarHBondContact O-N 2.05Å; T74-D77 PolarHBondContact O-N 2.97Å; T74-D77 VanDerWaalsContact OG1-CB 3.28Å; T74-D77 WeakPolarHBondContact OG1-CB 3.34Å; T74-D77 PolarHBondContact OG1-N 3.03Å; T74-D77 PolarHBondContact OG1-OD2 3.48Å; T74-K78 WeakPolarHBondContact O-CG 3.31Å; T74-K78 PolarHBondContact O-N 3.04Å; T74-K78 VanDerWaalsContact O-N 3.09Å
75	S	88.9	Confident	91	Very high	90 Å²	90	93.6 Å²	93.6	63%	0.629	44%	0.438	S	S	*	.	H	α-helix	trans	-62.5	-37.3	174.6	49.5	0	0	0	0	112.4	K78 I79	S75-K78 WeakPolarHBondContact O-CB 3.29Å; S75-K78 PolarHBondContact O-N 3.43Å; S75-I79 WeakPolarHBondContact O-CG1 3.44Å; S75-I79 PolarHBondContact O-N 3.16Å
76	E	90.5	Very high	90.9	Very high	133 Å²	133	92.8 Å²	92.8	62%	0.621	44%	0.435	S	S	*	.	H	α-helix	trans	-65.9	-43.5	177.2	-65.3	-179.3	-171.1	0	0	111.7	T74 K78 I79 K80	T74-E76 VanDerWaalsContact C-N 3.3Å; T74-E76 PolarHBondContact O-N 2.05Å; E76-K78 VanDerWaalsContact C-N 3.26Å; E76-K78 PolarHBondContact O-N 3.41Å; E76-I79 PolarHBondContact O-N 3.39Å; E76-K80 PolarHBondContact O-N 3.04Å; E76-K80 VanDerWaalsContact O-N 3.1Å
77	D	90.1	Very high	91	Very high	61 Å²	61	89.4 Å²	89.4	33%	0.326	42%	0.422	S	S	.	.	H	α-helix	trans	-64.6	-33.8	176.7	-64.8	-34.2	0	0	0	111.4	Q72 T74 K80 A81	Q72-D77 HydrophobicContact CB-CB 3.77Å; Q72-D77 HydrophobicContact CG-CB 4.15Å; T74-D77 PolarHBondContact O-N 2.97Å; T74-D77 VanDerWaalsContact OG1-CB 3.28Å; T74-D77 WeakPolarHBondContact OG1-CB 3.34Å; T74-D77 PolarHBondContact OG1-N 3.03Å; T74-D77 PolarHBondContact OG1-OD2 3.48Å; D77-K80 PolarHBondContact O-N 3.17Å; D77-A81 WeakPolarHBondContact O-CB 3.35Å; D77-A81 PolarHBondContact O-N 2.97Å
78	K	91.3	Very high	91.2	Very high	100 Å²	100	87.3 Å²	87.3	44%	0.435	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-44	174.8	-75.9	178.9	179.3	-171.5	0	112.1	Q72 T74 S75 E76 A81 E82	Q72-K78 HydrophobicContact CB-CG 3.88Å; Q72-K78 WeakPolarHBondContact O-CE 3.05Å; T74-K78 WeakPolarHBondContact O-CG 3.31Å; T74-K78 PolarHBondContact O-N 3.04Å; T74-K78 VanDerWaalsContact O-N 3.09Å; S75-K78 WeakPolarHBondContact O-CB 3.29Å; S75-K78 PolarHBondContact O-N 3.43Å; E76-K78 VanDerWaalsContact C-N 3.26Å; E76-K78 PolarHBondContact O-N 3.41Å; K78-A81 PolarHBondContact O-N 2.99Å; K78-E82 WeakPolarHBondContact O-CB 3.31Å; K78-E82 PolarHBondContact O-N 3.46Å
79	I	91.8	Very high	91.4	Very high	101 Å²	101	86.7 Å²	86.7	52%	0.518	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-48	177.6	-64	165.4	0	0	0	110.2	S75 E76 A81 E82 E83	S75-I79 WeakPolarHBondContact O-CG1 3.44Å; S75-I79 PolarHBondContact O-N 3.16Å; E76-I79 PolarHBondContact O-N 3.39Å; I79-A81 VanDerWaalsContact C-N 3.32Å; I79-A81 PolarHBondContact O-N 3.29Å; I79-E82 WeakPolarHBondContact O-CB 3.34Å; I79-E82 PolarHBondContact O-N 3.12Å; I79-E82 VanDerWaalsContact O-N 3.16Å; I79-E83 PolarHBondContact O-N 2.92Å; I79-E83 VanDerWaalsContact O-N 3.1Å
80	K	91.3	Very high	91.6	Very high	133 Å²	133	86.4 Å²	86.4	58%	0.578	41%	0.41	S	S	*	.	H	α-helix	trans	-61.5	-39.8	177.1	-69.7	176.8	-177.6	170.2	0	112.4	E76 D77 E82 R84	E76-K80 PolarHBondContact O-N 3.04Å; E76-K80 VanDerWaalsContact O-N 3.1Å; D77-K80 PolarHBondContact O-N 3.17Å; K80-E82 VanDerWaalsContact C-N 3.35Å; K80-R84 WeakPolarHBondContact O-CB 3.25Å; K80-R84 PolarHBondContact O-N 3.41Å
81	A	91.9	Very high	91.9	Very high	5 Å²	5	80.1 Å²	80.1	4%	0.041	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-37	175.9	0	0	0	0	0	112	H67 Q72 D77 K78 I79 R84 F85	H67-A81 WeakPolarHBondContact O-CB 3.39Å; Q72-A81 HydrophobicContact CG-CB 3.55Å; D77-A81 WeakPolarHBondContact O-CB 3.35Å; D77-A81 PolarHBondContact O-N 2.97Å; K78-A81 PolarHBondContact O-N 2.99Å; I79-A81 VanDerWaalsContact C-N 3.32Å; I79-A81 PolarHBondContact O-N 3.29Å; A81-R84 PolarHBondContact O-N 2.92Å; A81-F85 WeakPolarHBondContact O-CB 3.25Å; A81-F85 PolarHBondContact O-N 3.43Å
82	E	92.5	Very high	92.3	Very high	91 Å²	91	74.3 Å²	74.3	43%	0.425	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-46.5	175.5	-163.3	-165.2	135.6	0	0	111.8	K78 I79 K80 F85 R86	K78-E82 WeakPolarHBondContact O-CB 3.31Å; K78-E82 PolarHBondContact O-N 3.46Å; I79-E82 WeakPolarHBondContact O-CB 3.34Å; I79-E82 PolarHBondContact O-N 3.12Å; I79-E82 VanDerWaalsContact O-N 3.16Å; K80-E82 VanDerWaalsContact C-N 3.35Å; E82-F85 PolarHBondContact O-N 3.42Å; E82-R86 WeakPolarHBondContact O-CG 3.42Å; E82-R86 PolarHBondContact O-N 3.12Å; E82-R86 IonicContact OE1-CZ 2.76Å; E82-R86 IonicContact OE1-NE 3.94Å; E82-R86 PolarHBondContact OE1-NE 2.99Å; E82-R86 IonicContact OE1-NH2 3.78Å; E82-R86 PolarHBondContact OE1-NH2 3.47Å
83	E	91.1	Very high	92.4	Very high	108 Å²	108	75.9 Å²	75.9	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-46	174.7	-71.9	-179.4	162	0	0	111.5	I79 F85 R86 L87	I79-E83 PolarHBondContact O-N 2.92Å; I79-E83 VanDerWaalsContact O-N 3.1Å; E83-F85 VanDerWaalsContact C-N 3.32Å; E83-F85 PolarHBondContact O-N 2.72Å; E83-R86 WeakPolarHBondContact O-CB 3.24Å; E83-R86 PolarHBondContact O-N 3.39Å; E83-L87 PolarHBondContact O-N 3.16Å; E83-L87 VanDerWaalsContact O-N 3.1Å
84	R	92.2	Very high	92.7	Very high	54 Å²	54	66.6 Å²	66.6	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-38.9	177.3	-169.2	63	-177.4	-177.7	5.5	112.1	E39 H67 K80 A81 L87 I88	E39-R84 IonicContact OE1-CZ 2.91Å; E39-R84 IonicContact OE1-NH1 3.84Å; E39-R84 PolarHBondContact OE1-NH1 3.1Å; E39-R84 IonicContact OE1-NH2 3.72Å; E39-R84 IonicContact OE2-CZ 2.65Å; E39-R84 VanDerWaalsContact OE2-CZ 3.22Å; E39-R84 IonicContact OE2-NH1 3.93Å; E39-R84 PolarHBondContact OE2-NH1 3.15Å; E39-R84 IonicContact OE2-NH2 3.8Å; E39-R84 PolarHBondContact OE2-NH2 3.08Å; H67-R84 HydrophobicContact CB-CB 4.47Å; H67-R84 HydrophobicContact CB-CG 4.17Å; K80-R84 WeakPolarHBondContact O-CB 3.25Å; K80-R84 PolarHBondContact O-N 3.41Å; A81-R84 PolarHBondContact O-N 2.92Å; R84-L87 PolarHBondContact O-N 3.25Å; R84-I88 HydrophobicContact CG-CD1 3.98Å; R84-I88 WeakPolarHBondContact O-CD1 3.34Å; R84-I88 VanDerWaalsContact O-CG1 3.29Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-I88 PolarHBondContact O-N 3.06Å
85	F	94.1	Very high	93	Very high	45 Å²	45	63.7 Å²	63.7	20%	0.197	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-39.4	177.3	-171.3	-103.7	0	0	0	111.6	A64 A81 E82 E83 L87 I88 N89	A64-F85 HydrophobicContact CB-CE2 3.89Å; A81-F85 WeakPolarHBondContact O-CB 3.25Å; A81-F85 PolarHBondContact O-N 3.43Å; E82-F85 PolarHBondContact O-N 3.42Å; E83-F85 VanDerWaalsContact C-N 3.32Å; E83-F85 PolarHBondContact O-N 2.72Å; F85-L87 VanDerWaalsContact C-N 3.35Å; F85-L87 PolarHBondContact O-N 2.93Å; F85-I88 PolarHBondContact O-N 3.17Å; F85-N89 WeakPolarHBondContact CD1-ND2 3.29Å; F85-N89 WeakPolarHBondContact CE1-ND2 3.39Å; F85-N89 WeakPolarHBondContact O-CB 3.43Å; F85-N89 VanDerWaalsContact O-CG 3.23Å; F85-N89 PolarHBondContact O-N 2.99Å; F85-N89 PolarHBondContact O-ND2 2.89Å
86	R	93	Very high	93.3	Very high	136 Å²	136	60.6 Å²	60.6	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-42.6	172.1	-73.1	-174	-121.5	158.7	-2.2	112.1	E82 E83 T90	E82-R86 WeakPolarHBondContact O-CG 3.42Å; E82-R86 PolarHBondContact O-N 3.12Å; E82-R86 IonicContact OE1-CZ 2.76Å; E82-R86 IonicContact OE1-NE 3.94Å; E82-R86 PolarHBondContact OE1-NE 2.99Å; E82-R86 IonicContact OE1-NH2 3.78Å; E82-R86 PolarHBondContact OE1-NH2 3.47Å; E83-R86 WeakPolarHBondContact O-CB 3.24Å; E83-R86 PolarHBondContact O-N 3.39Å; R86-T90 WeakPolarHBondContact O-CB 3.43Å; R86-T90 PolarHBondContact O-N 3.05Å; R86-T90 PolarHBondContact O-OG1 3.35Å
87	L	93.5	Very high	93.4	Very high	56 Å²	56	56.5 Å²	56.5	29%	0.293	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-45.9	175	-69.9	173.5	0	0	0	111.9	V44 E83 R84 F85 N89 T90 A91	V44-L87 HydrophobicContact CG1-CB 4.24Å; E83-L87 PolarHBondContact O-N 3.16Å; E83-L87 VanDerWaalsContact O-N 3.1Å; R84-L87 PolarHBondContact O-N 3.25Å; F85-L87 VanDerWaalsContact C-N 3.35Å; F85-L87 PolarHBondContact O-N 2.93Å; L87-N89 PolarHBondContact O-N 3.43Å; L87-T90 PolarHBondContact O-N 2.8Å; L87-A91 WeakPolarHBondContact O-CB 3.36Å; L87-A91 PolarHBondContact O-N 3.49Å
88	I	95.9	Very high	93.6	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.6	-44.5	177.8	-70.7	159.5	0	0	0	111.5	V44 L45 Y60 M63 H67 R84 F85 T90 A91 Y92	V44-I88 HydrophobicContact CG1-CB 4.46Å; V44-I88 HydrophobicContact CG1-CG1 3.9Å; L45-I88 HydrophobicContact CD2-CG2 3.92Å; Y60-I88 HydrophobicContact CD2-CG2 3.69Å; Y60-I88 HydrophobicContact CE2-CG2 3.93Å; M63-I88 HydrophobicContact CB-CD1 3.84Å; M63-I88 HydrophobicContact CB-CG1 4.12Å; M63-I88 HydrophobicContact CB-CG2 3.97Å; H67-I88 HydrophobicContact CB-CD1 3.69Å; R84-I88 HydrophobicContact CG-CD1 3.98Å; R84-I88 WeakPolarHBondContact O-CD1 3.34Å; R84-I88 VanDerWaalsContact O-CG1 3.29Å; R84-I88 WeakPolarHBondContact O-CG1 3.42Å; R84-I88 PolarHBondContact O-N 3.06Å; F85-I88 PolarHBondContact O-N 3.17Å; I88-T90 VanDerWaalsContact C-N 3.34Å; I88-A91 PolarHBondContact O-N 2.89Å; I88-Y92 WeakPolarHBondContact O-CB 3.46Å; I88-Y92 PolarHBondContact O-N 3.26Å
89	N	95.2	Very high	93.8	Very high	50 Å²	50	59.1 Å²	59.1	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-43.7	177.1	-70.1	-15.6	0	0	0	111.4	Y60 F85 L87 Y92 E93	Y60-N89 WeakPolarHBondContact CE2-OD1 3.13Å; Y60-N89 PolarHBondContact OH-OD1 2.66Å; F85-N89 WeakPolarHBondContact CD1-ND2 3.29Å; F85-N89 WeakPolarHBondContact CE1-ND2 3.39Å; F85-N89 WeakPolarHBondContact O-CB 3.43Å; F85-N89 VanDerWaalsContact O-CG 3.23Å; F85-N89 PolarHBondContact O-N 2.99Å; F85-N89 PolarHBondContact O-ND2 2.89Å; L87-N89 PolarHBondContact O-N 3.43Å; N89-Y92 PolarHBondContact O-N 3.49Å; N89-E93 WeakPolarHBondContact O-CB 3.42Å; N89-E93 PolarHBondContact O-N 3.08Å
90	T	93.8	Very high	93.8	Very high	26 Å²	26	56.1 Å²	56.1	16%	0.16	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-45.4	178.6	-55.8	0	0	0	0	111	Y35 R86 L87 I88 Y92 E93 I94	Y35-T90 WeakPolarHBondContact O-CG2 3.48Å; R86-T90 WeakPolarHBondContact O-CB 3.43Å; R86-T90 PolarHBondContact O-N 3.05Å; R86-T90 PolarHBondContact O-OG1 3.35Å; L87-T90 PolarHBondContact O-N 2.8Å; I88-T90 VanDerWaalsContact C-N 3.34Å; T90-Y92 VanDerWaalsContact C-N 3.32Å; T90-Y92 PolarHBondContact O-N 3.38Å; T90-E93 WeakPolarHBondContact O-CB 3.46Å; T90-E93 PolarHBondContact O-N 3.2Å; T90-I94 HydrophobicContact CG2-CD1 3.68Å; T90-I94 VanDerWaalsContact O-CD1 3.26Å; T90-I94 WeakPolarHBondContact O-CD1 3.17Å; T90-I94 VanDerWaalsContact O-CG1 3.29Å; T90-I94 WeakPolarHBondContact O-CG1 3.5Å; T90-I94 PolarHBondContact O-N 3.1Å
91	A	95.7	Very high	94	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-43.8	176.1	0	0	0	0	0	112.1	C36 C41 V44 L45 L87 I88 L95	C36-A91 WeakPolarHBondContact SG-CA 3.4Å; C36-A91 VanDerWaalsContact SG-CB 3.52Å; C41-A91 HydrophobicContact CB-CB 3.85Å; V44-A91 HydrophobicContact CB-CB 3.97Å; V44-A91 HydrophobicContact CG1-CB 3.8Å; L45-A91 HydrophobicContact CD1-CB 4.25Å; L45-A91 HydrophobicContact CD2-CB 4.35Å; L45-A91 HydrophobicContact CG-CB 3.85Å; L87-A91 WeakPolarHBondContact O-CB 3.36Å; L87-A91 PolarHBondContact O-N 3.49Å; I88-A91 PolarHBondContact O-N 2.89Å; A91-L95 WeakPolarHBondContact O-CB 3.4Å; A91-L95 VanDerWaalsContact O-CG 3.29Å; A91-L95 WeakPolarHBondContact O-CG 3.41Å; A91-L95 PolarHBondContact O-N 2.91Å
92	Y	96.6	Very high	94.2	Very high	54 Å²	54	55 Å²	55	21%	0.212	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-42.5	176.5	177.6	-108.6	0	0	0	112.3	I56 R57 Y60 I88 N89 T90 I94 L95 S96	I56-Y92 HydrophobicContact CG2-CD2 4.01Å; I56-Y92 HydrophobicContact CG2-CE2 4.34Å; R57-Y92 HydrophobicContact CB-CE2 4.18Å; R57-Y92 HydrophobicContact CG-CE2 4.38Å; Y60-Y92 HydrophobicContact CD1-CD1 4.07Å; Y60-Y92 HydrophobicContact CD1-CD2 4.22Å; Y60-Y92 HydrophobicContact CD1-CE1 4.21Å; Y60-Y92 HydrophobicContact CD1-CE2 4.36Å; Y60-Y92 HydrophobicContact CD1-CG 4.07Å; Y60-Y92 VanDerWaalsContact CD2-CB 3.42Å; Y60-Y92 HydrophobicContact CD2-CD1 4.06Å; Y60-Y92 HydrophobicContact CD2-CD2 4.21Å; Y60-Y92 AromaticContact CD2-CG 3.63Å; Y60-Y92 HydrophobicContact CD2-CG 3.63Å; Y60-Y92 HydrophobicContact CE1-CD1 4.19Å; Y60-Y92 HydrophobicContact CE1-CE1 4.34Å; Y60-Y92 HydrophobicContact CE2-CD1 4.18Å; Y60-Y92 HydrophobicContact CE2-CG 4.18Å; Y60-Y92 AromaticContact CG-CD1 4Å; Y60-Y92 HydrophobicContact CG-CD1 4Å; Y60-Y92 AromaticContact CG-CD2 3.72Å; Y60-Y92 HydrophobicContact CG-CD2 3.72Å; Y60-Y92 HydrophobicContact CG-CE2 4.28Å; Y60-Y92 AromaticContact CG-CG 3.56Å; Y60-Y92 HydrophobicContact CG-CG 3.56Å; I88-Y92 WeakPolarHBondContact O-CB 3.46Å; I88-Y92 PolarHBondContact O-N 3.26Å; N89-Y92 PolarHBondContact O-N 3.49Å; T90-Y92 VanDerWaalsContact C-N 3.32Å; T90-Y92 PolarHBondContact O-N 3.38Å; Y92-I94 VanDerWaalsContact C-N 3.3Å; Y92-I94 PolarHBondContact O-N 2.94Å; Y92-L95 PolarHBondContact O-N 3.16Å; Y92-S96 WeakPolarHBondContact O-CA 3.12Å; Y92-S96 WeakPolarHBondContact O-CB 3.37Å; Y92-S96 PolarHBondContact O-N 3.26Å; Y92-S96 PolarHBondContact O-OG 3.24Å
93	E	93.9	Very high	94.2	Very high	88 Å²	88	51.8 Å²	51.8	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-52.9	-50.5	175.5	-173.2	-178.3	-164.5	0	0	110.7	N89 T90 S96 R125	N89-E93 WeakPolarHBondContact O-CB 3.42Å; N89-E93 PolarHBondContact O-N 3.08Å; T90-E93 WeakPolarHBondContact O-CB 3.46Å; T90-E93 PolarHBondContact O-N 3.2Å; E93-S96 PolarHBondContact O-OG 3.49Å; E93-S96 VanDerWaalsContact O-OG 3.07Å; E93-R125 IonicContact OE2-NH2 3.74Å; E93-R125 PolarHBondContact OE2-NH2 3.28Å
94	I	94.1	Very high	94.4	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-66.8	-47.6	-178.3	-63.7	154.5	0	0	0	111.8	Y35 C41 T90 Y92 Q100 R101 Y104	Y35-I94 HydrophobicContact CD1-CD1 3.65Å; Y35-I94 HydrophobicContact CD1-CG1 4.04Å; Y35-I94 HydrophobicContact CD1-CG2 4.12Å; Y35-I94 HydrophobicContact CG-CD1 4.21Å; C41-I94 VanDerWaalsContact SG-CD1 3.56Å; T90-I94 HydrophobicContact CG2-CD1 3.68Å; T90-I94 VanDerWaalsContact O-CD1 3.26Å; T90-I94 WeakPolarHBondContact O-CD1 3.17Å; T90-I94 VanDerWaalsContact O-CG1 3.29Å; T90-I94 WeakPolarHBondContact O-CG1 3.5Å; T90-I94 PolarHBondContact O-N 3.1Å; Y92-I94 VanDerWaalsContact C-N 3.3Å; Y92-I94 PolarHBondContact O-N 2.94Å; I94-Q100 HydrophobicContact CG2-CB 4.47Å; I94-Q100 CarbonylContact O-C 3.58Å; I94-Q100 WeakPolarHBondContact O-CB 3.26Å; I94-R101 PolarHBondContact O-N 3.31Å; I94-R101 VanDerWaalsContact O-N 3.13Å; I94-Y104 HydrophobicContact CG2-CD1 4.38Å; I94-Y104 HydrophobicContact CG2-CD2 4.21Å; I94-Y104 HydrophobicContact CG2-CG 3.83Å
95	L	95.8	Very high	94.5	Very high	3 Å²	3	46 Å²	46	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-80.5	-17.9	-174.3	-64.5	179.9	0	0	0	113.6	C41 Y42 L45 V47 I56 A91 Y92 R101 Y104	C41-L95 HydrophobicContact CB-CD1 4Å; C41-L95 HydrophobicContact CB-CD2 4.47Å; C41-L95 HydrophobicContact CB-CG 4.1Å; C41-L95 WeakPolarHBondContact O-CD1 3.4Å; Y42-L95 HydrophobicContact CD1-CD1 3.84Å; Y42-L95 HydrophobicContact CD1-CD2 4.13Å; Y42-L95 HydrophobicContact CE1-CD1 3.97Å; Y42-L95 HydrophobicContact CE1-CD2 3.5Å; Y42-L95 HydrophobicContact CE1-CG 4.39Å; Y42-L95 HydrophobicContact CE2-CD2 4.05Å; Y42-L95 HydrophobicContact CG-CD1 4.4Å; Y42-L95 VanDerWaalsContact CZ-CD2 3.46Å; L45-L95 HydrophobicContact CD1-CD1 4.01Å; V47-L95 HydrophobicContact CG2-CD1 4.09Å; I56-L95 HydrophobicContact CD1-CB 4.25Å; I56-L95 HydrophobicContact CG2-CB 3.97Å; A91-L95 WeakPolarHBondContact O-CB 3.4Å; A91-L95 VanDerWaalsContact O-CG 3.29Å; A91-L95 WeakPolarHBondContact O-CG 3.41Å; A91-L95 PolarHBondContact O-N 2.91Å; Y92-L95 PolarHBondContact O-N 3.16Å; L95-R101 HydrophobicContact CD2-CG 4.05Å; L95-Y104 HydrophobicContact CD2-CD1 4.13Å; L95-Y104 HydrophobicContact CD2-CE1 4.48Å
96	S	94.6	Very high	94.5	Very high	25 Å²	25	47.8 Å²	47.8	18%	0.175	24%	0.238	C	C	.	.	H	α-helix	trans	-78.8	-27.5	-178.9	70.4	0	0	0	0	113.8	K53 Y92 E93	K53-S96 WeakPolarHBondContact CE-O 3.46Å; K53-S96 PolarHBondContact NZ-O 3.16Å; Y92-S96 WeakPolarHBondContact O-CA 3.12Å; Y92-S96 WeakPolarHBondContact O-CB 3.37Å; Y92-S96 PolarHBondContact O-N 3.26Å; Y92-S96 PolarHBondContact O-OG 3.24Å; E93-S96 PolarHBondContact O-OG 3.49Å; E93-S96 VanDerWaalsContact O-OG 3.07Å
97	D	93.7	Very high	94.4	Very high	46 Å²	46	41.8 Å²	41.8	25%	0.246	22%	0.216	C	C	.	.	S	Bend	trans	-94.2	118	176.2	176.9	-8.1	0	0	0	109	E99 Q100 R101	D97-E99 PolarHBondContact O-N 3.42Å; D97-E99 PolarHBondContact OD1-N 2.94Å; D97-Q100 HydrophobicContact CB-CB 3.96Å; D97-Q100 HydrophobicContact CB-CG 3.99Å; D97-Q100 PolarHBondContact O-N 3.33Å; D97-Q100 PolarHBondContact OD2-NE2 3.27Å; D97-R101 WeakPolarHBondContact O-CB 3.29Å; D97-R101 PolarHBondContact O-N 2.82Å
98	P	94.6	Very high	94.4	Very high	92 Å²	92	40.5 Å²	40.5	60%	0.597	21%	0.209	S	C	*	.	H	α-helix	trans	-58.6	-32.4	-176.7	25.4	-35.2	0	0	0	112.8	S102	P98-S102 WeakPolarHBondContact O-CB 3.43Å; P98-S102 PolarHBondContact O-N 3.22Å; P98-S102 VanDerWaalsContact O-N 3.08Å
99	E	94	Very high	94.2	Very high	125 Å²	125	45.3 Å²	45.3	58%	0.584	23%	0.234	S	C	*	.	H	α-helix	trans	-76.9	-31.4	178.3	-56.9	-175.1	170.4	0	0	111.9	D97 E103 R124	D97-E99 PolarHBondContact O-N 3.42Å; D97-E99 PolarHBondContact OD1-N 2.94Å; E99-E103 WeakPolarHBondContact O-CG 3.45Å; E99-E103 PolarHBondContact O-N 3.39Å; E99-R124 VanDerWaalsContact C-NH1 3.31Å; E99-R124 PolarHBondContact O-NH1 2.93Å; E99-R124 VanDerWaalsContact O-NH1 3.14Å; E99-R124 IonicContact OE2-NH2 3.16Å; E99-R124 PolarHBondContact OE2-NH2 2.83Å
100	Q	93.4	Very high	94.1	Very high	37 Å²	37	45 Å²	45	17%	0.173	23%	0.233	C	C	.	.	H	α-helix	trans	-73.3	-39	174	-72.9	179.9	52.4	0	0	111.8	I94 D97 S102 E103 Y104	I94-Q100 HydrophobicContact CG2-CB 4.47Å; I94-Q100 CarbonylContact O-C 3.58Å; I94-Q100 WeakPolarHBondContact O-CB 3.26Å; D97-Q100 HydrophobicContact CB-CB 3.96Å; D97-Q100 HydrophobicContact CB-CG 3.99Å; D97-Q100 PolarHBondContact O-N 3.33Å; D97-Q100 PolarHBondContact OD2-NE2 3.27Å; Q100-S102 VanDerWaalsContact C-N 3.33Å; Q100-S102 PolarHBondContact O-N 2.89Å; Q100-E103 PolarHBondContact O-N 3.05Å; Q100-Y104 VanDerWaalsContact O-CB 3.25Å; Q100-Y104 WeakPolarHBondContact O-CB 3.5Å; Q100-Y104 PolarHBondContact O-N 3.23Å
101	R	95.3	Very high	93.8	Very high	39 Å²	39	45.9 Å²	45.9	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-46	172.5	-174.4	177.1	-178	170.2	3.2	111.3	Y42 R49 D51 I94 L95 D97 Y104 D105	Y42-R101 WeakPolarHBondContact OH-CG 3.44Å; Y42-R101 PolarHBondContact OH-NE 3.12Å; R49-R101 PolarHBondContact O-NH2 3.04Å; D51-R101 VanDerWaalsContact O-CZ 3.3Å; D51-R101 PolarHBondContact O-NH1 2.9Å; D51-R101 PolarHBondContact O-NH2 3.04Å; I94-R101 PolarHBondContact O-N 3.31Å; I94-R101 VanDerWaalsContact O-N 3.13Å; L95-R101 HydrophobicContact CD2-CG 4.05Å; D97-R101 WeakPolarHBondContact O-CB 3.29Å; D97-R101 PolarHBondContact O-N 2.82Å; R101-Y104 PolarHBondContact O-N 2.93Å; R101-D105 WeakPolarHBondContact O-CB 3.37Å; R101-D105 PolarHBondContact O-N 3.34Å
102	S	95	Very high	93.4	Very high	77 Å²	77	51.7 Å²	51.7	54%	0.538	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-44.4	177.5	-178.9	0	0	0	0	113	P98 Q100 Y104 D105 Y106	P98-S102 WeakPolarHBondContact O-CB 3.43Å; P98-S102 PolarHBondContact O-N 3.22Å; P98-S102 VanDerWaalsContact O-N 3.08Å; Q100-S102 VanDerWaalsContact C-N 3.33Å; Q100-S102 PolarHBondContact O-N 2.89Å; S102-Y104 VanDerWaalsContact C-N 3.34Å; S102-Y104 PolarHBondContact O-N 2.85Å; S102-D105 PolarHBondContact O-N 3.48Å; S102-Y106 WeakPolarHBondContact O-CB 3.18Å; S102-Y106 PolarHBondContact O-N 3.39Å
103	E	93.2	Very high	93.1	Very high	23 Å²	23	52 Å²	52	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-40.2	174.7	-72.8	-174.8	171.6	0	0	112.1	E99 Q100 Y106 M107 Q120 R123 R124	E99-E103 WeakPolarHBondContact O-CG 3.45Å; E99-E103 PolarHBondContact O-N 3.39Å; Q100-E103 PolarHBondContact O-N 3.05Å; E103-Y106 PolarHBondContact O-N 3.03Å; E103-M107 PolarHBondContact O-N 3.48Å; E103-Q120 VanDerWaalsContact CD-OE1 3.24Å; E103-R123 IonicContact OE1-NH2 2.76Å; E103-R123 PolarHBondContact OE1-NH2 3.36Å; E103-R124 IonicContact OE1-CZ 3.6Å; E103-R124 IonicContact OE1-NH1 3.22Å; E103-R124 PolarHBondContact OE1-NH1 2.91Å; E103-R124 IonicContact OE1-NH2 3.89Å; E103-R124 IonicContact OE2-CZ 3.95Å; E103-R124 IonicContact OE2-NH1 3.92Å; E103-R124 PolarHBondContact OE2-NH1 3.37Å
104	Y	94.2	Very high	92.7	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-67.5	-42.4	176.9	178.7	-106.1	0	0	0	112.5	Y35 T40 C41 Y42 I94 L95 Q100 R101 S102 Y106 M107 L108	Y35-Y104 AromaticContact CD1-CD2 3.56Å; Y35-Y104 HydrophobicContact CD1-CD2 3.56Å; Y35-Y104 HydrophobicContact CD1-CE2 4.29Å; Y35-Y104 HydrophobicContact CD1-CG 4.41Å; Y35-Y104 HydrophobicContact CD2-CD2 4.1Å; Y35-Y104 HydrophobicContact CD2-CE2 4.4Å; Y35-Y104 AromaticContact CE1-CD2 3.95Å; Y35-Y104 HydrophobicContact CE1-CD2 3.95Å; Y35-Y104 HydrophobicContact CE2-CD2 4.46Å; Y35-Y104 AromaticContact CG-CD2 3.63Å; Y35-Y104 HydrophobicContact CG-CD2 3.63Å; Y35-Y104 AromaticContact CG-CE2 3.95Å; Y35-Y104 HydrophobicContact CG-CE2 3.95Å; T40-Y104 WeakPolarHBondContact CA-OH 2.99Å; T40-Y104 VanDerWaalsContact CB-OH 3.29Å; T40-Y104 WeakPolarHBondContact CB-OH 3.23Å; C41-Y104 HydrophobicContact CB-CE1 3.9Å; C41-Y104 HydrophobicContact CB-CE2 4.43Å; C41-Y104 PolarHBondContact N-OH 3.2Å; Y42-Y104 HydrophobicContact CD2-CD1 4.45Å; Y42-Y104 AromaticContact CD2-CE1 3.72Å; Y42-Y104 HydrophobicContact CD2-CE1 3.72Å; Y42-Y104 AromaticContact CE2-CD1 3.84Å; Y42-Y104 HydrophobicContact CE2-CD1 3.84Å; Y42-Y104 AromaticContact CE2-CE1 3.56Å; Y42-Y104 HydrophobicContact CE2-CE1 3.56Å; I94-Y104 HydrophobicContact CG2-CD1 4.38Å; I94-Y104 HydrophobicContact CG2-CD2 4.21Å; I94-Y104 HydrophobicContact CG2-CG 3.83Å; L95-Y104 HydrophobicContact CD2-CD1 4.13Å; L95-Y104 HydrophobicContact CD2-CE1 4.48Å; Q100-Y104 VanDerWaalsContact O-CB 3.25Å; Q100-Y104 WeakPolarHBondContact O-CB 3.5Å; Q100-Y104 PolarHBondContact O-N 3.23Å; R101-Y104 PolarHBondContact O-N 2.93Å; S102-Y104 VanDerWaalsContact C-N 3.34Å; S102-Y104 PolarHBondContact O-N 2.85Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y104-M107 HydrophobicContact CD2-CE 3.57Å; Y104-M107 HydrophobicContact CE2-CE 3.34Å; Y104-M107 WeakPolarHBondContact O-CB 3.2Å; Y104-M107 PolarHBondContact O-N 3.4Å; Y104-L108 HydrophobicContact CD1-CD1 4.13Å; Y104-L108 HydrophobicContact CE1-CD1 3.53Å; Y104-L108 HydrophobicContact CE1-CG 4.17Å; Y104-L108 WeakPolarHBondContact O-CG 3.31Å; Y104-L108 PolarHBondContact O-N 3.45Å
105	D	94.7	Very high	92.4	Very high	35 Å²	35	61 Å²	61	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-43	174.8	-70.1	-24.2	0	0	0	110.7	Y42 R101 S102 M107 L108 D109	Y42-D105 WeakPolarHBondContact CE2-OD1 3.49Å; Y42-D105 VanDerWaalsContact CZ-OD1 3.27Å; Y42-D105 VanDerWaalsContact OH-CG 3.27Å; Y42-D105 PolarHBondContact OH-OD1 3.45Å; Y42-D105 PolarHBondContact OH-OD2 2.89Å; R101-D105 WeakPolarHBondContact O-CB 3.37Å; R101-D105 PolarHBondContact O-N 3.34Å; S102-D105 PolarHBondContact O-N 3.48Å; D105-M107 VanDerWaalsContact C-N 3.27Å; D105-M107 PolarHBondContact O-N 2.91Å; D105-L108 PolarHBondContact O-N 3.39Å; D105-D109 VanDerWaalsContact O-CG 3.31Å; D105-D109 PolarHBondContact O-N 3.35Å
106	Y	94.1	Very high	92.1	Very high	83 Å²	83	65.8 Å²	65.8	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-60	-36.6	173.8	-178.2	-97	0	0	0	112.5	S102 E103 Y104 D109 N110 Q113 Y116 H117	S102-Y106 WeakPolarHBondContact O-CB 3.18Å; S102-Y106 PolarHBondContact O-N 3.39Å; E103-Y106 PolarHBondContact O-N 3.03Å; Y104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-D109 PolarHBondContact O-N 2.96Å; Y106-N110 WeakPolarHBondContact CD2-ND2 3.46Å; Y106-N110 HydrophobicContact CE1-CB 4.36Å; Y106-N110 VanDerWaalsContact CE2-ND2 3.29Å; Y106-N110 WeakPolarHBondContact CE2-ND2 3.39Å; Y106-N110 WeakPolarHBondContact O-CB 3.2Å; Y106-N110 PolarHBondContact O-N 2.8Å; Y106-N110 PolarHBondContact O-ND2 3.48Å; Y106-Q113 PolarHBondContact OH-NE2 3.12Å; Y106-Q113 PolarHBondContact OH-OE1 3.22Å; Y106-Y116 HydrophobicContact CD1-CD1 4.24Å; Y106-Y116 AromaticContact CD1-CE1 3.8Å; Y106-Y116 HydrophobicContact CD1-CE1 3.8Å; Y106-Y116 AromaticContact CE1-CD1 3.78Å; Y106-Y116 HydrophobicContact CE1-CD1 3.78Å; Y106-Y116 AromaticContact CE1-CE1 3.48Å; Y106-Y116 HydrophobicContact CE1-CE1 3.48Å; Y106-Y116 VanDerWaalsContact CE1-CE1 3.48Å; Y106-H117 AromaticContact CD1-CE1 3.53Å; Y106-H117 AromaticContact CE1-CE1 3.66Å
107	M	92	Very high	91.9	Very high	11 Å²	11	64.6 Å²	64.6	5%	0.054	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-46.4	174	-179.5	-80.5	-64.4	0	0	112.7	Y35 E103 Y104 D105 D109 N110 H117	Y35-M107 HydrophobicContact CD2-CE 3.78Å; Y35-M107 HydrophobicContact CE2-CB 4.48Å; Y35-M107 HydrophobicContact CE2-CE 4.02Å; Y35-M107 HydrophobicContact CE2-CG 4.15Å; Y35-M107 HydrophobicContact CG-CE 4.45Å; E103-M107 PolarHBondContact O-N 3.48Å; Y104-M107 HydrophobicContact CD2-CE 3.57Å; Y104-M107 HydrophobicContact CE2-CE 3.34Å; Y104-M107 WeakPolarHBondContact O-CB 3.2Å; Y104-M107 PolarHBondContact O-N 3.4Å; D105-M107 VanDerWaalsContact C-N 3.27Å; D105-M107 PolarHBondContact O-N 2.91Å; M107-D109 PolarHBondContact O-N 3.13Å; M107-N110 CarbonylContact O-C 3.48Å; M107-N110 PolarHBondContact O-N 3.32Å; M107-H117 WeakPolarHBondContact CA-CE1 3.29Å; M107-H117 HydrophobicContact CB-CB 4.26Å; M107-H117 HydrophobicContact CG-CB 3.73Å; M107-H117 VanDerWaalsContact CG-CG 3.4Å
108	L	91.9	Very high	91.7	Very high	28 Å²	28	66.4 Å²	66.4	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-33	177.4	-66.4	175.4	0	0	0	112.3	T40 Y42 R49 Y104 D105	T40-L108 HydrophobicContact CG2-CD2 4.29Å; Y42-L108 HydrophobicContact CD2-CD1 4.15Å; Y42-L108 HydrophobicContact CE2-CD1 4.06Å; R49-L108 VanDerWaalsContact NH2-CB 3.3Å; Y104-L108 HydrophobicContact CD1-CD1 4.13Å; Y104-L108 HydrophobicContact CE1-CD1 3.53Å; Y104-L108 HydrophobicContact CE1-CG 4.17Å; Y104-L108 WeakPolarHBondContact O-CG 3.31Å; Y104-L108 PolarHBondContact O-N 3.45Å; D105-L108 PolarHBondContact O-N 3.39Å
109	D	92.7	Very high	91.4	Very high	101 Å²	101	68.9 Å²	68.9	54%	0.54	32%	0.322	S	S	.	.	H	α-helix	trans	-83.1	-23	-179.5	-65.3	-13.1	0	0	0	113	R49 D105 Y106 M107	R49-D109 IonicContact CZ-OD1 3.38Å; R49-D109 IonicContact NH1-OD1 3.71Å; R49-D109 PolarHBondContact NH1-OD1 3.07Å; R49-D109 IonicContact NH1-OD2 2.83Å; R49-D109 IonicContact NH2-OD1 2.77Å; D105-D109 VanDerWaalsContact O-CG 3.31Å; D105-D109 PolarHBondContact O-N 3.35Å; Y106-D109 PolarHBondContact O-N 2.96Å; M107-D109 PolarHBondContact O-N 3.13Å
110	N	92.7	Very high	91.1	Very high	44 Å²	44	63.4 Å²	63.4	24%	0.235	30%	0.297	C	S	.	.			trans	-128.9	62.2	-176.2	-58.5	-93	0	0	0	112.7	Y106 M107 D112 Q113 H117	Y106-N110 WeakPolarHBondContact CD2-ND2 3.46Å; Y106-N110 HydrophobicContact CE1-CB 4.36Å; Y106-N110 VanDerWaalsContact CE2-ND2 3.29Å; Y106-N110 WeakPolarHBondContact CE2-ND2 3.39Å; Y106-N110 WeakPolarHBondContact O-CB 3.2Å; Y106-N110 PolarHBondContact O-N 2.8Å; Y106-N110 PolarHBondContact O-ND2 3.48Å; M107-N110 CarbonylContact O-C 3.48Å; M107-N110 PolarHBondContact O-N 3.32Å; N110-D112 PolarHBondContact O-N 3.14Å; N110-D112 VanDerWaalsContact O-N 3.08Å; N110-Q113 HydrophobicContact CB-CG 4.34Å; N110-Q113 PolarHBondContact O-N 3Å; N110-Q113 VanDerWaalsContact O-N 3.15Å; N110-H117 PolarHBondContact O-NE2 3.33Å
111	P	87.7	Confident	91	Very high	45 Å²	45	62.8 Å²	62.8	29%	0.292	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.6	-174.1	26.8	-35.7	0	0	0	114.5	A29 Q113	A29-P111 HydrophobicContact CB-CB 3.58Å; A29-P111 HydrophobicContact CB-CG 4.05Å; P111-Q113 VanDerWaalsContact C-N 3.28Å; P111-Q113 PolarHBondContact O-N 3.28Å
112	D	88.3	Confident	90.6	Very high	121 Å²	121	65.2 Å²	65.2	65%	0.647	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.1	175.8	64	-56.8	0	0	0	113.1	N110 M114	N110-D112 PolarHBondContact O-N 3.14Å; N110-D112 VanDerWaalsContact O-N 3.08Å; D112-M114 PolarHBondContact O-N 2.78Å
113	Q	89.3	Confident	90.1	Very high	60 Å²	60	66.8 Å²	66.8	28%	0.28	30%	0.297	S	S	.	.			trans	-86.7	42.4	-177	-57.4	-177.4	16.5	0	0	113.1	Y106 N110 P111 Y115 Y116 H117	Y106-Q113 PolarHBondContact OH-NE2 3.12Å; Y106-Q113 PolarHBondContact OH-OE1 3.22Å; N110-Q113 HydrophobicContact CB-CG 4.34Å; N110-Q113 PolarHBondContact O-N 3Å; N110-Q113 VanDerWaalsContact O-N 3.15Å; P111-Q113 VanDerWaalsContact C-N 3.28Å; P111-Q113 PolarHBondContact O-N 3.28Å; Q113-Y115 VanDerWaalsContact C-N 3.31Å; Q113-Y115 PolarHBondContact O-N 3.39Å; Q113-Y115 VanDerWaalsContact O-N 3.12Å; Q113-Y116 WeakPolarHBondContact O-CB 3.35Å; Q113-Y116 PolarHBondContact O-N 3.2Å; Q113-H117 PolarHBondContact O-CD2 2.8Å; Q113-H117 PolarHBondContact O-N 2.93Å
114	M	85.8	Confident	89.6	Confident	82 Å²	82	68.8 Å²	68.8	40%	0.404	30%	0.303	S	S	.	.	H	α-helix	trans	-45.7	-48.9	-174.3	-173.4	-134.4	-175.9	0	0	113.8	I31 D112 Y116 H117 Y118	I31-M114 HydrophobicContact CD1-CB 4.31Å; I31-M114 HydrophobicContact CD1-CG 3.65Å; I31-M114 HydrophobicContact CG1-CG 4.27Å; I31-M114 HydrophobicContact CG2-CE 4.21Å; D112-M114 PolarHBondContact O-N 2.78Å; M114-Y116 VanDerWaalsContact C-N 3.32Å; M114-Y116 PolarHBondContact O-N 2.66Å; M114-H117 PolarHBondContact O-N 3.14Å; M114-Y118 PolarHBondContact O-N 3.47Å
115	Y	87.9	Confident	89	Confident	199 Å²	199	74.5 Å²	74.5	78%	0.78	33%	0.325	S	S	*	.	H	α-helix	trans	-64.7	-33.9	-179	-68.2	-70.2	0	0	0	113.7	Q113 Y119	Q113-Y115 VanDerWaalsContact C-N 3.31Å; Q113-Y115 PolarHBondContact O-N 3.39Å; Q113-Y115 VanDerWaalsContact O-N 3.12Å; Y115-Y119 WeakPolarHBondContact O-CB 3.38Å; Y115-Y119 PolarHBondContact O-N 3.2Å
116	Y	89.5	Confident	88.2	Confident	104 Å²	104	77.2 Å²	77.2	41%	0.408	34%	0.342	S	S	.	.	H	α-helix	trans	-68.3	-46.2	178.6	178.4	-95.9	0	0	0	110.7	Y106 Q113 M114 Y118 Y119 Q120	Y106-Y116 HydrophobicContact CD1-CD1 4.24Å; Y106-Y116 AromaticContact CD1-CE1 3.8Å; Y106-Y116 HydrophobicContact CD1-CE1 3.8Å; Y106-Y116 AromaticContact CE1-CD1 3.78Å; Y106-Y116 HydrophobicContact CE1-CD1 3.78Å; Y106-Y116 AromaticContact CE1-CE1 3.48Å; Y106-Y116 HydrophobicContact CE1-CE1 3.48Å; Y106-Y116 VanDerWaalsContact CE1-CE1 3.48Å; Q113-Y116 WeakPolarHBondContact O-CB 3.35Å; Q113-Y116 PolarHBondContact O-N 3.2Å; M114-Y116 VanDerWaalsContact C-N 3.32Å; M114-Y116 PolarHBondContact O-N 2.66Å; Y116-Y118 VanDerWaalsContact C-N 3.35Å; Y116-Y118 PolarHBondContact O-N 2.77Å; Y116-Y119 WeakPolarHBondContact O-CB 3.41Å; Y116-Y119 PolarHBondContact O-N 3.2Å; Y116-Q120 HydrophobicContact CD1-CG 4.34Å; Y116-Q120 HydrophobicContact CE1-CG 4.03Å; Y116-Q120 PolarHBondContact O-N 3.01Å; Y116-Q120 PolarHBondContact OH-NE2 3.06Å
117	H	91	Very high	87	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-41.7	178.2	-55.9	-41.2	0	0	0	111.8	Y106 M107 N110 Q113 M114 Y119 Q120 Y121	Y106-H117 AromaticContact CD1-CE1 3.53Å; Y106-H117 AromaticContact CE1-CE1 3.66Å; M107-H117 WeakPolarHBondContact CA-CE1 3.29Å; M107-H117 HydrophobicContact CB-CB 4.26Å; M107-H117 HydrophobicContact CG-CB 3.73Å; M107-H117 VanDerWaalsContact CG-CG 3.4Å; N110-H117 PolarHBondContact O-NE2 3.33Å; Q113-H117 PolarHBondContact O-CD2 2.8Å; Q113-H117 PolarHBondContact O-N 2.93Å; M114-H117 PolarHBondContact O-N 3.14Å; H117-Y119 PolarHBondContact O-N 3Å; H117-Q120 PolarHBondContact O-N 3.2Å; H117-Y121 WeakPolarHBondContact O-CB 3.38Å; H117-Y121 PolarHBondContact O-N 2.85Å
118	Y	89.5	Confident	85.7	Confident	85 Å²	85	80.7 Å²	80.7	33%	0.333	38%	0.377	S	S	.	.	H	α-helix	trans	-58.5	-48.7	173.2	-136	-97.5	0	0	0	110.9	I31 I34 M114 Y116 Q120 Y121 Y122	I31-Y118 HydrophobicContact CG2-CD2 4.39Å; I31-Y118 HydrophobicContact CG2-CE2 4.19Å; I34-Y118 HydrophobicContact CD1-CD2 4.21Å; I34-Y118 HydrophobicContact CG2-CD2 3.75Å; I34-Y118 HydrophobicContact CG2-CE2 3.44Å; I34-Y118 VanDerWaalsContact CG2-CE2 3.44Å; M114-Y118 PolarHBondContact O-N 3.47Å; Y116-Y118 VanDerWaalsContact C-N 3.35Å; Y116-Y118 PolarHBondContact O-N 2.77Å; Y118-Q120 PolarHBondContact O-N 3.44Å; Y118-Y121 PolarHBondContact O-N 3.19Å; Y118-Y122 AromaticContact CD1-CD2 3.53Å; Y118-Y122 HydrophobicContact CD1-CD2 3.53Å; Y118-Y122 AromaticContact CD1-CE2 3.4Å; Y118-Y122 HydrophobicContact CD1-CE2 3.4Å; Y118-Y122 VanDerWaalsContact CD1-CE2 3.4Å; Y118-Y122 AromaticContact CE1-CD2 3.66Å; Y118-Y122 HydrophobicContact CE1-CD2 3.66Å; Y118-Y122 AromaticContact CE1-CE2 3.03Å; Y118-Y122 HydrophobicContact CE1-CE2 3.03Å; Y118-Y122 AromaticContact CE1-CZ 3.82Å; Y118-Y122 HydrophobicContact CE2-CE2 4.25Å; Y118-Y122 HydrophobicContact CG-CD2 4.27Å; Y118-Y122 HydrophobicContact CG-CE2 4.16Å; Y118-Y122 AromaticContact CZ-CE2 3.49Å; Y118-Y122 VanDerWaalsContact CZ-CE2 3.49Å; Y118-Y122 VanDerWaalsContact O-CD2 3.29Å; Y118-Y122 WeakPolarHBondContact O-CD2 3.46Å; Y118-Y122 PolarHBondContact O-N 3.32Å; Y118-Y122 PolarHBondContact OH-OH 3.3Å
119	Y	87.6	Confident	85	Confident	143 Å²	143	89.8 Å²	89.8	56%	0.561	42%	0.415	S	S	*	.	H	α-helix	trans	-59	-46.3	178.2	171.1	-103.3	0	0	0	112.3	Y115 Y116 H117 R123	Y115-Y119 WeakPolarHBondContact O-CB 3.38Å; Y115-Y119 PolarHBondContact O-N 3.2Å; Y116-Y119 WeakPolarHBondContact O-CB 3.41Å; Y116-Y119 PolarHBondContact O-N 3.2Å; H117-Y119 PolarHBondContact O-N 3Å; Y119-R123 WeakPolarHBondContact O-CB 3.11Å; Y119-R123 PolarHBondContact O-N 3.47Å
120	Q	88.3	Confident	84.6	Confident	11 Å²	11	88.7 Å²	88.7	5%	0.051	41%	0.412	C	S	.	.	H	α-helix	trans	-62.7	-46.8	179.1	-73	-162.8	-18.2	0	0	112.6	E103 Y116 H117 Y118 Y122 R123 R124	E103-Q120 VanDerWaalsContact CD-OE1 3.24Å; Y116-Q120 HydrophobicContact CD1-CG 4.34Å; Y116-Q120 HydrophobicContact CE1-CG 4.03Å; Y116-Q120 PolarHBondContact O-N 3.01Å; Y116-Q120 PolarHBondContact OH-NE2 3.06Å; H117-Q120 PolarHBondContact O-N 3.2Å; Y118-Q120 PolarHBondContact O-N 3.44Å; Q120-Y122 PolarHBondContact O-N 3.4Å; Q120-R123 PolarHBondContact O-N 3.43Å; Q120-R124 PolarHBondContact O-N 3.07Å
121	Y	90	Very high	84.1	Confident	23 Å²	23	90.7 Å²	90.7	9%	0.09	42%	0.423	C	S	.	.	H	α-helix	trans	-57.5	-49.1	178.4	179.3	-99.2	0	0	0	112.2	I34 Y35 H117 Y118 R125	I34-Y121 HydrophobicContact CB-CD1 3.96Å; I34-Y121 HydrophobicContact CB-CD2 4.37Å; I34-Y121 HydrophobicContact CB-CE1 4.12Å; I34-Y121 HydrophobicContact CB-CG 4.09Å; I34-Y121 HydrophobicContact CG2-CD1 3.67Å; I34-Y121 HydrophobicContact CG2-CE1 3.95Å; I34-Y121 HydrophobicContact CG2-CG 4.2Å; Y35-Y121 AromaticContact CD1-CD2 3.7Å; Y35-Y121 HydrophobicContact CD1-CD2 3.7Å; Y35-Y121 HydrophobicContact CD1-CE2 4.09Å; Y35-Y121 HydrophobicContact CD2-CD2 4.24Å; Y35-Y121 AromaticContact CE1-CD2 3.75Å; Y35-Y121 HydrophobicContact CE1-CD2 3.75Å; Y35-Y121 HydrophobicContact CE2-CD2 4.26Å; Y35-Y121 AromaticContact CG-CD2 3.98Å; Y35-Y121 HydrophobicContact CG-CD2 3.98Å; Y35-Y121 HydrophobicContact CG-CE2 4.23Å; H117-Y121 WeakPolarHBondContact O-CB 3.38Å; H117-Y121 PolarHBondContact O-N 2.85Å; Y118-Y121 PolarHBondContact O-N 3.19Å; Y121-R125 PolarHBondContact OH-NE 2.8Å; Y121-R125 PolarHBondContact OH-NH1 3.32Å
122	Y	87.5	Confident	84	Confident	91 Å²	91	92.8 Å²	92.8	36%	0.357	43%	0.434	S	S	.	.	H	α-helix	trans	-75	-30.9	180	-78.9	-82	0	0	0	113.6	I34 Y118 Q120 R124 R125 V126	I34-Y122 HydrophobicContact CG2-CE2 4.12Å; Y118-Y122 AromaticContact CD1-CD2 3.53Å; Y118-Y122 HydrophobicContact CD1-CD2 3.53Å; Y118-Y122 AromaticContact CD1-CE2 3.4Å; Y118-Y122 HydrophobicContact CD1-CE2 3.4Å; Y118-Y122 VanDerWaalsContact CD1-CE2 3.4Å; Y118-Y122 AromaticContact CE1-CD2 3.66Å; Y118-Y122 HydrophobicContact CE1-CD2 3.66Å; Y118-Y122 AromaticContact CE1-CE2 3.03Å; Y118-Y122 HydrophobicContact CE1-CE2 3.03Å; Y118-Y122 AromaticContact CE1-CZ 3.82Å; Y118-Y122 HydrophobicContact CE2-CE2 4.25Å; Y118-Y122 HydrophobicContact CG-CD2 4.27Å; Y118-Y122 HydrophobicContact CG-CE2 4.16Å; Y118-Y122 AromaticContact CZ-CE2 3.49Å; Y118-Y122 VanDerWaalsContact CZ-CE2 3.49Å; Y118-Y122 VanDerWaalsContact O-CD2 3.29Å; Y118-Y122 WeakPolarHBondContact O-CD2 3.46Å; Y118-Y122 PolarHBondContact O-N 3.32Å; Y118-Y122 PolarHBondContact OH-OH 3.3Å; Q120-Y122 PolarHBondContact O-N 3.4Å; Y122-R124 PolarHBondContact O-N 2.97Å; Y122-R125 PolarHBondContact O-N 3.42Å; Y122-V126 HydrophobicContact CD1-CG2 4.13Å; Y122-V126 WeakPolarHBondContact O-CA 3.3Å; Y122-V126 WeakPolarHBondContact O-CB 3.31Å; Y122-V126 PolarHBondContact O-N 3.21Å
123	R	85.2	Confident	84	Confident	109 Å²	109	95.9 Å²	95.9	41%	0.411	44%	0.437	S	S	.	.	H	α-helix	trans	-57.8	-36.8	178.2	177.8	-178.1	66.2	174.9	-2.1	112.1	E103 Y119 Q120 S127	E103-R123 IonicContact OE1-NH2 2.76Å; E103-R123 PolarHBondContact OE1-NH2 3.36Å; Y119-R123 WeakPolarHBondContact O-CB 3.11Å; Y119-R123 PolarHBondContact O-N 3.47Å; Q120-R123 PolarHBondContact O-N 3.43Å; R123-S127 VanDerWaalsContact O-CA 3.3Å; R123-S127 WeakPolarHBondContact O-CA 3.41Å; R123-S127 VanDerWaalsContact O-CB 3.31Å; R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 3.46Å
124	R	81.6	Confident	84.1	Confident	66 Å²	66	98.2 Å²	98.2	25%	0.249	45%	0.451	C	S	.	.	H	α-helix	trans	-75.9	-46.2	176.9	-78	-172	163.5	137.2	-1.3	112.6	E99 E103 Q120 Y122	E99-R124 VanDerWaalsContact C-NH1 3.31Å; E99-R124 PolarHBondContact O-NH1 2.93Å; E99-R124 VanDerWaalsContact O-NH1 3.14Å; E99-R124 IonicContact OE2-NH2 3.16Å; E99-R124 PolarHBondContact OE2-NH2 2.83Å; E103-R124 IonicContact OE1-CZ 3.6Å; E103-R124 IonicContact OE1-NH1 3.22Å; E103-R124 PolarHBondContact OE1-NH1 2.91Å; E103-R124 IonicContact OE1-NH2 3.89Å; E103-R124 IonicContact OE2-CZ 3.95Å; E103-R124 IonicContact OE2-NH1 3.92Å; E103-R124 PolarHBondContact OE2-NH1 3.37Å; Q120-R124 PolarHBondContact O-N 3.07Å; Y122-R124 PolarHBondContact O-N 2.97Å
125	R	82.5	Confident	84.3	Confident	124 Å²	124	97 Å²	97	47%	0.468	45%	0.448	S	S	.	.	H	α-helix	trans	-68	-37.6	-179.5	-72.9	-171.6	167.6	-141.3	-9.3	113.3	E93 Y121 Y122	E93-R125 IonicContact OE2-NH2 3.74Å; E93-R125 PolarHBondContact OE2-NH2 3.28Å; Y121-R125 PolarHBondContact OH-NE 2.8Å; Y121-R125 PolarHBondContact OH-NH1 3.32Å; Y122-R125 PolarHBondContact O-N 3.42Å
126	V	77.1	Confident	84.5	Confident	92 Å²	92	92 Å²	92	56%	0.558	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	33.3	-177.4	-160.7	0	0	0	0	110	Y122 T128	Y122-V126 HydrophobicContact CD1-CG2 4.13Å; Y122-V126 WeakPolarHBondContact O-CA 3.3Å; Y122-V126 WeakPolarHBondContact O-CB 3.31Å; Y122-V126 PolarHBondContact O-N 3.21Å; V126-T128 PolarHBondContact O-N 2.91Å
127	S	68.7	Low	84.7	Confident	91 Å²	91	90.6 Å²	90.6	64%	0.636	44%	0.436	S	S	*	.			trans	-63.6	85.8	176.4	-168.3	0	0	0	0	109.8	R123 K129	R123-S127 VanDerWaalsContact O-CA 3.3Å; R123-S127 WeakPolarHBondContact O-CA 3.41Å; R123-S127 VanDerWaalsContact O-CB 3.31Å; R123-S127 WeakPolarHBondContact O-CB 3.48Å; R123-S127 PolarHBondContact O-N 3.46Å; S127-K129 PolarHBondContact O-N 2.89Å
128	T	65.4	Low	84.8	Confident	76 Å²	76	93.1 Å²	93.1	47%	0.466	45%	0.454	S	S	.	.			trans	-62.7	129	166.9	51.6	0	0	0	0	106.1	V126 V130	V126-T128 PolarHBondContact O-N 2.91Å; T128-V130 PolarHBondContact O-N 3.28Å; T128-V130 VanDerWaalsContact O-O 3.1Å; T128-V130 PolarHBondContact OG1-O 3.15Å
129	K	76.5	Confident	85.1	Confident	218 Å²	218	93.1 Å²	93.1	95%	0.948	46%	0.459	S	S	*	.	S	Bend	trans	-54.4	-17.4	176.1	-65.8	-179.6	180	178.2	0	113.1	S127	S127-K129 PolarHBondContact O-N 2.89Å
130	V	84	Confident	85.4	Confident	79 Å²	79	88.7 Å²	88.7	48%	0.479	44%	0.444	S	S	.	.	S	Bend	trans	-95.1	132.8	176.8	-174	0	0	0	0	109.7	T128 V132 L134 V135	T128-V130 PolarHBondContact O-N 3.28Å; T128-V130 VanDerWaalsContact O-O 3.1Å; T128-V130 PolarHBondContact OG1-O 3.15Å; V130-V132 PolarHBondContact O-N 2.93Å; V130-L134 HydrophobicContact CG1-CB 4.23Å; V130-L134 HydrophobicContact CG1-CD1 4.35Å; V130-V135 HydrophobicContact CG1-CG2 4.13Å
131	D	83.9	Confident	85.7	Confident	85 Å²	85	92.4 Å²	92.4	46%	0.455	46%	0.464	S	S	.	.			trans	-58.9	125.9	171.5	-174.4	-16.7	0	0	0	110.3	R133 L134 V135	D131-R133 PolarHBondContact O-N 3.06Å; D131-R133 VanDerWaalsContact O-N 3.09Å; D131-R133 WeakPolarHBondContact OD1-CB 3.34Å; D131-R133 WeakPolarHBondContact OD1-CG 3.43Å; D131-R133 PolarHBondContact OD1-N 3.09Å; D131-L134 HydrophobicContact CB-CD1 4.22Å; D131-L134 HydrophobicContact CB-CG 4.24Å; D131-L134 WeakPolarHBondContact O-CB 3.25Å; D131-L134 PolarHBondContact O-N 2.94Å; D131-V135 PolarHBondContact O-N 2.92Å
132	V	85.4	Confident	86.1	Confident	89 Å²	89	95.8 Å²	95.8	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-53.7	-31.8	178.9	-179.2	0	0	0	0	111.6	V130 L134 V135 I136	V130-V132 PolarHBondContact O-N 2.93Å; V132-L134 VanDerWaalsContact C-N 3.29Å; V132-L134 PolarHBondContact O-N 2.94Å; V132-V135 WeakPolarHBondContact O-CB 3.49Å; V132-V135 PolarHBondContact O-N 3.48Å; V132-V135 VanDerWaalsContact O-N 3.14Å; V132-I136 HydrophobicContact CG1-CD1 4.19Å; V132-I136 HydrophobicContact CG1-CG1 4.48Å; V132-I136 WeakPolarHBondContact O-CG1 3.48Å; V132-I136 PolarHBondContact O-N 2.95Å
133	R	88.4	Confident	86.5	Confident	187 Å²	187	94.8 Å²	94.8	71%	0.706	48%	0.483	S	S	*	.	H	α-helix	trans	-60.1	-39.4	176.5	-63.7	171.1	-179.8	-178.9	0.6	112	D131 V135 I136 V137	D131-R133 PolarHBondContact O-N 3.06Å; D131-R133 VanDerWaalsContact O-N 3.09Å; D131-R133 WeakPolarHBondContact OD1-CB 3.34Å; D131-R133 WeakPolarHBondContact OD1-CG 3.43Å; D131-R133 PolarHBondContact OD1-N 3.09Å; R133-V135 VanDerWaalsContact C-N 3.32Å; R133-I136 PolarHBondContact O-N 2.68Å; R133-V137 WeakPolarHBondContact O-CG2 3.47Å; R133-V137 PolarHBondContact O-N 3.43Å
134	L	90.7	Very high	87	Confident	109 Å²	109	90.3 Å²	90.3	57%	0.571	47%	0.468	S	S	*	.	H	α-helix	trans	-67.9	-36	177.4	-63.3	174.8	0	0	0	111.4	V130 D131 V132 V137 S138	V130-L134 HydrophobicContact CG1-CB 4.23Å; V130-L134 HydrophobicContact CG1-CD1 4.35Å; D131-L134 HydrophobicContact CB-CD1 4.22Å; D131-L134 HydrophobicContact CB-CG 4.24Å; D131-L134 WeakPolarHBondContact O-CB 3.25Å; D131-L134 PolarHBondContact O-N 2.94Å; V132-L134 VanDerWaalsContact C-N 3.29Å; V132-L134 PolarHBondContact O-N 2.94Å; L134-V137 PolarHBondContact O-N 3.36Å; L134-S138 WeakPolarHBondContact O-CB 3.37Å; L134-S138 PolarHBondContact O-N 2.88Å; L134-S138 PolarHBondContact O-OG 3.35Å
135	V	89.9	Confident	87.6	Confident	57 Å²	57	90.3 Å²	90.3	35%	0.345	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-42.8	173.8	-177.1	0	0	0	0	110.6	V130 D131 V132 R133 V137 S138 I139	V130-V135 HydrophobicContact CG1-CG2 4.13Å; D131-V135 PolarHBondContact O-N 2.92Å; V132-V135 WeakPolarHBondContact O-CB 3.49Å; V132-V135 PolarHBondContact O-N 3.48Å; V132-V135 VanDerWaalsContact O-N 3.14Å; R133-V135 VanDerWaalsContact C-N 3.32Å; V135-V137 PolarHBondContact O-N 2.96Å; V135-S138 PolarHBondContact O-N 2.94Å; V135-S138 PolarHBondContact O-OG 3.41Å; V135-I139 HydrophobicContact CG1-CD1 3.85Å; V135-I139 HydrophobicContact CG1-CG1 4.47Å; V135-I139 WeakPolarHBondContact O-CB 3.48Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.33Å; V135-I139 PolarHBondContact O-N 3Å
136	I	92.1	Very high	88.2	Confident	92 Å²	92	89.6 Å²	89.6	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-45.6	175.7	-66.1	167	0	0	0	110.6	V132 R133 S138 I139 L140	V132-I136 HydrophobicContact CG1-CD1 4.19Å; V132-I136 HydrophobicContact CG1-CG1 4.48Å; V132-I136 WeakPolarHBondContact O-CG1 3.48Å; V132-I136 PolarHBondContact O-N 2.95Å; R133-I136 PolarHBondContact O-N 2.68Å; I136-S138 PolarHBondContact O-N 2.99Å; I136-I139 PolarHBondContact O-N 2.86Å; I136-L140 HydrophobicContact CG2-CD1 4.02Å; I136-L140 HydrophobicContact CG2-CG 4.43Å; I136-L140 WeakPolarHBondContact O-CB 3.48Å; I136-L140 VanDerWaalsContact O-CG 3.29Å; I136-L140 WeakPolarHBondContact O-CG 3.13Å; I136-L140 PolarHBondContact O-N 2.8Å
137	V	93.1	Very high	88.9	Confident	76 Å²	76	89.2 Å²	89.2	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-63.1	-41.7	178.3	172	0	0	0	0	111.7	R133 L134 V135 L140 L141	R133-V137 WeakPolarHBondContact O-CG2 3.47Å; R133-V137 PolarHBondContact O-N 3.43Å; L134-V137 PolarHBondContact O-N 3.36Å; V135-V137 PolarHBondContact O-N 2.96Å; V137-L140 PolarHBondContact O-N 3.29Å; V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 WeakPolarHBondContact O-CG 3.37Å; V137-L141 PolarHBondContact O-N 3.35Å
138	S	92.8	Very high	90.2	Very high	53 Å²	53	89 Å²	89	37%	0.371	46%	0.461	S	S	.	.	H	α-helix	trans	-65.9	-41.9	178.4	71.8	0	0	0	0	111.8	L134 V135 I136 L140 L141 I142	L134-S138 WeakPolarHBondContact O-CB 3.37Å; L134-S138 PolarHBondContact O-N 2.88Å; L134-S138 PolarHBondContact O-OG 3.35Å; V135-S138 PolarHBondContact O-N 2.94Å; V135-S138 PolarHBondContact O-OG 3.41Å; I136-S138 PolarHBondContact O-N 2.99Å; S138-L140 PolarHBondContact O-N 2.97Å; S138-L141 WeakPolarHBondContact O-CB 3.41Å; S138-L141 PolarHBondContact O-N 3.24Å; S138-I142 VanDerWaalsContact O-CG1 3.28Å; S138-I142 WeakPolarHBondContact O-CG1 3.27Å; S138-I142 PolarHBondContact O-N 3.25Å
139	I	95.8	Very high	91.5	Very high	85 Å²	85	87.9 Å²	87.9	44%	0.436	46%	0.459	S	S	.	.	H	α-helix	trans	-60.8	-45.8	173.7	-68.9	167.2	0	0	0	110.6	V135 I136 L141 I142 I143	V135-I139 HydrophobicContact CG1-CD1 3.85Å; V135-I139 HydrophobicContact CG1-CG1 4.47Å; V135-I139 WeakPolarHBondContact O-CB 3.48Å; V135-I139 VanDerWaalsContact O-CG1 3.23Å; V135-I139 WeakPolarHBondContact O-CG1 3.33Å; V135-I139 PolarHBondContact O-N 3Å; I136-I139 PolarHBondContact O-N 2.86Å; I139-L141 VanDerWaalsContact C-N 3.31Å; I139-L141 PolarHBondContact O-N 3.42Å; I139-I142 PolarHBondContact O-N 3.11Å; I139-I143 HydrophobicContact CG2-CD1 3.73Å; I139-I143 HydrophobicContact CG2-CG1 4.35Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 3.32Å
140	L	95.4	Very high	92.3	Very high	49 Å²	49	79.2 Å²	79.2	26%	0.257	43%	0.431	S	S	.	.	H	α-helix	trans	-61.7	-38.5	177.6	-73.9	174.1	0	0	0	112.2	I136 V137 S138 S144 L229 I233	I136-L140 HydrophobicContact CG2-CD1 4.02Å; I136-L140 HydrophobicContact CG2-CG 4.43Å; I136-L140 WeakPolarHBondContact O-CB 3.48Å; I136-L140 VanDerWaalsContact O-CG 3.29Å; I136-L140 WeakPolarHBondContact O-CG 3.13Å; I136-L140 PolarHBondContact O-N 2.8Å; V137-L140 PolarHBondContact O-N 3.29Å; S138-L140 PolarHBondContact O-N 2.97Å; L140-S144 WeakPolarHBondContact O-CB 3.43Å; L140-S144 PolarHBondContact O-N 3.39Å; L140-L229 HydrophobicContact CD2-CD2 3.87Å; L140-I233 HydrophobicContact CD1-CD1 4.36Å; L140-I233 HydrophobicContact CD2-CD1 4.11Å
141	L	94.9	Very high	92.7	Very high	90 Å²	90	76.5 Å²	76.5	47%	0.471	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-41.3	174.1	-78.5	167.2	0	0	0	112.3	V137 S138 I139 S144 S145 L230	V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 WeakPolarHBondContact O-CG 3.37Å; V137-L141 PolarHBondContact O-N 3.35Å; S138-L141 WeakPolarHBondContact O-CB 3.41Å; S138-L141 PolarHBondContact O-N 3.24Å; I139-L141 VanDerWaalsContact C-N 3.31Å; I139-L141 PolarHBondContact O-N 3.42Å; L141-S144 WeakPolarHBondContact O-CB 3.4Å; L141-S144 PolarHBondContact O-N 3.28Å; L141-S145 PolarHBondContact O-N 3.47Å; L141-L230 HydrophobicContact CD2-CD1 3.44Å; L141-L230 VanDerWaalsContact CD2-CD1 3.44Å; L141-L230 HydrophobicContact CG-CD1 3.84Å
142	I	96.6	Very high	93.1	Very high	94 Å²	94	78.5 Å²	78.5	48%	0.482	42%	0.415	S	S	.	.	H	α-helix	trans	-65.4	-48.4	176.9	-68.1	163.6	0	0	0	110.7	S138 I139 S144 S145 I146	S138-I142 VanDerWaalsContact O-CG1 3.28Å; S138-I142 WeakPolarHBondContact O-CG1 3.27Å; S138-I142 PolarHBondContact O-N 3.25Å; I139-I142 PolarHBondContact O-N 3.11Å; I142-S144 VanDerWaalsContact C-N 3.27Å; I142-S144 PolarHBondContact O-N 3.24Å; I142-S145 PolarHBondContact O-N 2.94Å; I142-S145 PolarHBondContact O-OG 3.49Å; I142-I146 HydrophobicContact CG2-CD1 3.86Å; I142-I146 WeakPolarHBondContact O-CG1 3.4Å; I142-I146 PolarHBondContact O-N 3.45Å
143	I	96.4	Very high	93.5	Very high	69 Å²	69	78.4 Å²	78.4	35%	0.354	42%	0.415	S	S	.	.	H	α-helix	trans	-60.5	-42.8	177	-67.5	170.3	0	0	0	110.1	I139 S145 I146 Q147 L229	I139-I143 HydrophobicContact CG2-CD1 3.73Å; I139-I143 HydrophobicContact CG2-CG1 4.35Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 3.32Å; I143-S145 PolarHBondContact O-N 2.93Å; I143-I146 PolarHBondContact O-N 3.33Å; I143-Q147 HydrophobicContact CG2-CG 4.39Å; I143-Q147 WeakPolarHBondContact O-CB 3.37Å; I143-Q147 VanDerWaalsContact O-CG 3.27Å; I143-Q147 WeakPolarHBondContact O-CG 3.4Å; I143-Q147 PolarHBondContact O-N 2.81Å; I143-L229 HydrophobicContact CG2-CD2 3.95Å
144	S	95.3	Very high	93.6	Very high	16 Å²	16	71 Å²	71	11%	0.112	39%	0.392	C	S	.	.	H	α-helix	trans	-58.9	-42.2	176.3	166.6	0	0	0	0	112.6	L140 L141 I142 Y148 V228	L140-S144 WeakPolarHBondContact O-CB 3.43Å; L140-S144 PolarHBondContact O-N 3.39Å; L141-S144 WeakPolarHBondContact O-CB 3.4Å; L141-S144 PolarHBondContact O-N 3.28Å; I142-S144 VanDerWaalsContact C-N 3.27Å; I142-S144 PolarHBondContact O-N 3.24Å; S144-Y148 PolarHBondContact O-N 3.31Å; S144-Y148 VanDerWaalsContact O-N 3.1Å; S144-V228 WeakPolarHBondContact OG-CG1 3.42Å
145	S	94.2	Very high	93.8	Very high	66 Å²	66	66.5 Å²	66.5	46%	0.462	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-41.6	178.2	71.3	0	0	0	0	112.2	L141 I142 I143 Q147 Y148 A149	L141-S145 PolarHBondContact O-N 3.47Å; I142-S145 PolarHBondContact O-N 2.94Å; I142-S145 PolarHBondContact O-OG 3.49Å; I143-S145 PolarHBondContact O-N 2.93Å; S145-Q147 PolarHBondContact O-N 3.03Å; S145-Y148 PolarHBondContact O-N 2.95Å; S145-A149 WeakPolarHBondContact O-CB 3.25Å; S145-A149 PolarHBondContact O-N 3.44Å
146	I	95.7	Very high	93.9	Very high	108 Å²	108	65.6 Å²	65.6	55%	0.554	36%	0.36	S	S	*	.	H	α-helix	trans	-61.3	-44.5	175.2	-67.7	168.8	0	0	0	110.6	I142 I143 Y148 A149 G150	I142-I146 HydrophobicContact CG2-CD1 3.86Å; I142-I146 WeakPolarHBondContact O-CG1 3.4Å; I142-I146 PolarHBondContact O-N 3.45Å; I143-I146 PolarHBondContact O-N 3.33Å; I146-Y148 PolarHBondContact O-N 3.14Å; I146-A149 PolarHBondContact O-N 3.36Å; I146-G150 PolarHBondContact O-N 2.93Å
147	Q	92.7	Very high	93.9	Very high	85 Å²	85	67.6 Å²	67.6	40%	0.397	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-44.2	176.3	-77.3	177.6	-9.6	0	0	112.2	I143 S145 G150 Q151	I143-Q147 HydrophobicContact CG2-CG 4.39Å; I143-Q147 WeakPolarHBondContact O-CB 3.37Å; I143-Q147 VanDerWaalsContact O-CG 3.27Å; I143-Q147 WeakPolarHBondContact O-CG 3.4Å; I143-Q147 PolarHBondContact O-N 2.81Å; S145-Q147 PolarHBondContact O-N 3.03Å; Q147-G150 PolarHBondContact O-N 3.09Å; Q147-Q151 PolarHBondContact O-N 3Å
148	Y	94.2	Very high	93.9	Very high	87 Å²	87	64.5 Å²	64.5	34%	0.341	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-42.8	177.7	-176.6	-98.2	0	0	0	111.8	S144 S145 I146 Q151 W152 P223 L225 V228	S144-Y148 PolarHBondContact O-N 3.31Å; S144-Y148 VanDerWaalsContact O-N 3.1Å; S145-Y148 PolarHBondContact O-N 2.95Å; I146-Y148 PolarHBondContact O-N 3.14Å; Y148-Q151 PolarHBondContact O-N 3.07Å; Y148-W152 PolarHBondContact O-N 2.8Å; Y148-P223 HydrophobicContact CE2-CB 3.89Å; Y148-L225 HydrophobicContact CD2-CD2 4.33Å; Y148-L225 HydrophobicContact CE2-CD2 4.05Å; Y148-V228 HydrophobicContact CD2-CG2 3.95Å
149	A	94.2	Very high	93.9	Very high	52 Å²	52	62 Å²	62	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-44.3	175.4	0	0	0	0	0	111.8	S145 I146 Q151 W152 T153	S145-A149 WeakPolarHBondContact O-CB 3.25Å; S145-A149 PolarHBondContact O-N 3.44Å; I146-A149 PolarHBondContact O-N 3.36Å; A149-Q151 PolarHBondContact O-N 3.37Å; A149-W152 WeakPolarHBondContact O-CB 3.5Å; A149-W152 PolarHBondContact O-N 2.98Å; A149-T153 WeakPolarHBondContact O-CG2 3.33Å; A149-T153 PolarHBondContact O-N 3.3Å; A149-T153 PolarHBondContact O-OG1 3.34Å
150	G	93.2	Very high	93.6	Very high	35 Å²	35	60.1 Å²	60.1	36%	0.361	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-40.3	175.6	0	0	0	0	0	113.1	I146 Q147 W152 T153 S154	I146-G150 PolarHBondContact O-N 2.93Å; Q147-G150 PolarHBondContact O-N 3.09Å; G150-W152 VanDerWaalsContact C-N 3.33Å; G150-W152 PolarHBondContact O-N 2.89Å; G150-T153 WeakPolarHBondContact CA-OG1 3.28Å; G150-T153 PolarHBondContact O-N 2.97Å; G150-T153 PolarHBondContact O-OG1 3.17Å; G150-S154 VanDerWaalsContact O-CB 3.27Å; G150-S154 WeakPolarHBondContact O-CB 3.44Å; G150-S154 PolarHBondContact O-N 3.4Å
151	Q	91.9	Very high	93.4	Very high	23 Å²	23	64.4 Å²	64.4	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-39.3	174.6	-162.3	-174.5	4.3	0	0	111.5	Q147 Y148 A149 Y155 C221 R222	Q147-Q151 PolarHBondContact O-N 3Å; Y148-Q151 PolarHBondContact O-N 3.07Å; A149-Q151 PolarHBondContact O-N 3.37Å; Q151-Y155 VanDerWaalsContact O-CB 3.23Å; Q151-Y155 WeakPolarHBondContact O-CB 3.41Å; Q151-Y155 PolarHBondContact O-N 3.38Å; Q151-C221 PolarHBondContact NE2-O 2.89Å; Q151-R222 PolarHBondContact NE2-O 3.31Å
152	W	92.9	Very high	93.3	Very high	126 Å²	126	61 Å²	61	48%	0.477	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-45.8	177.1	-177.9	-94.6	0	0	0	112.4	Y148 A149 G150 N156 P223	Y148-W152 PolarHBondContact O-N 2.8Å; A149-W152 WeakPolarHBondContact O-CB 3.5Å; A149-W152 PolarHBondContact O-N 2.98Å; G150-W152 VanDerWaalsContact C-N 3.33Å; G150-W152 PolarHBondContact O-N 2.89Å; W152-N156 PolarHBondContact NE1-ND2 2.78Å; W152-N156 VanDerWaalsContact O-CG 3.3Å; W152-N156 PolarHBondContact O-N 3.3Å; W152-N156 PolarHBondContact O-ND2 3.35Å; W152-P223 HydrophobicContact CE3-CB 4.06Å; W152-P223 HydrophobicContact CE3-CG 3.46Å; W152-P223 VanDerWaalsContact CE3-CG 3.46Å; W152-P223 HydrophobicContact CZ3-CG 3.74Å
153	T	94.2	Very high	93	Very high	88 Å²	88	58.1 Å²	58.1	54%	0.54	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-47.3	179.6	55.2	0	0	0	0	111.3	A149 G150 Y155 N156 H157	A149-T153 WeakPolarHBondContact O-CG2 3.33Å; A149-T153 PolarHBondContact O-N 3.3Å; A149-T153 PolarHBondContact O-OG1 3.34Å; G150-T153 WeakPolarHBondContact CA-OG1 3.28Å; G150-T153 PolarHBondContact O-N 2.97Å; G150-T153 PolarHBondContact O-OG1 3.17Å; T153-Y155 PolarHBondContact O-N 3.49Å; T153-N156 PolarHBondContact O-N 3.21Å; T153-H157 WeakPolarHBondContact O-CB 3.44Å; T153-H157 PolarHBondContact O-N 3.03Å
154	S	90.5	Very high	92.7	Very high	32 Å²	32	62.7 Å²	62.7	22%	0.224	33%	0.325	C	S	.	.	H	α-helix	trans	-56.8	-46.7	176.1	178.8	0	0	0	0	112	G150 N156 H157 A158 D219 C220	G150-S154 VanDerWaalsContact O-CB 3.27Å; G150-S154 WeakPolarHBondContact O-CB 3.44Å; G150-S154 PolarHBondContact O-N 3.4Å; S154-N156 PolarHBondContact O-N 2.94Å; S154-H157 PolarHBondContact O-N 3.26Å; S154-A158 WeakPolarHBondContact O-CB 3.42Å; S154-A158 PolarHBondContact O-N 3.22Å; S154-D219 WeakPolarHBondContact CB-O 3.3Å; S154-D219 PolarHBondContact OG-O 2.88Å; S154-C220 PolarHBondContact OG-SG 3.39Å
155	Y	93.1	Very high	92.6	Very high	13 Å²	13	63.7 Å²	63.7	5%	0.051	33%	0.329	C	S	.	.	H	α-helix	trans	-59.5	-46.1	176.2	178.1	-110.4	0	0	0	112.6	Q151 T153 H157 A158 L159 K211 L216 C220 R222	Q151-Y155 VanDerWaalsContact O-CB 3.23Å; Q151-Y155 WeakPolarHBondContact O-CB 3.41Å; Q151-Y155 PolarHBondContact O-N 3.38Å; T153-Y155 PolarHBondContact O-N 3.49Å; Y155-H157 VanDerWaalsContact C-N 3.35Å; Y155-A158 PolarHBondContact O-N 3.18Å; Y155-L159 HydrophobicContact CD1-CD1 3.96Å; Y155-L159 HydrophobicContact CE1-CD1 3.48Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.48Å; Y155-L159 HydrophobicContact CE1-CG 4.42Å; Y155-L159 HydrophobicContact CE2-CD1 4.32Å; Y155-L159 HydrophobicContact CE2-CG 4.47Å; Y155-L159 WeakPolarHBondContact O-CG 3.32Å; Y155-L159 PolarHBondContact O-N 2.95Å; Y155-K211 WeakPolarHBondContact OH-CG 3.37Å; Y155-L216 HydrophobicContact CD2-CD1 3.75Å; Y155-L216 HydrophobicContact CE2-CD1 3.81Å; Y155-C220 VanDerWaalsContact CD2-O 3.3Å; Y155-C220 WeakPolarHBondContact CD2-O 3.37Å; Y155-R222 HydrophobicContact CD2-CB 4.42Å; Y155-R222 HydrophobicContact CE2-CB 3.93Å; Y155-R222 HydrophobicContact CE2-CG 4.44Å
156	N	92.2	Very high	92.5	Very high	39 Å²	39	65.4 Å²	65.4	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-66.3	-38.7	179	-72.5	-39.9	0	0	0	112.3	W152 T153 S154 L159 S160 R207	W152-N156 PolarHBondContact NE1-ND2 2.78Å; W152-N156 VanDerWaalsContact O-CG 3.3Å; W152-N156 PolarHBondContact O-N 3.3Å; W152-N156 PolarHBondContact O-ND2 3.35Å; T153-N156 PolarHBondContact O-N 3.21Å; S154-N156 PolarHBondContact O-N 2.94Å; N156-L159 PolarHBondContact O-N 2.94Å; N156-S160 PolarHBondContact O-N 3.34Å; N156-R207 PolarHBondContact OD1-NH2 3.09Å
157	H	93.7	Very high	92.3	Very high	133 Å²	133	68.4 Å²	68.4	62%	0.616	35%	0.348	S	S	*	.	H	α-helix	trans	-62.9	-47.1	175.9	-176.1	-97	0	0	0	111	T153 S154 Y155 L159 S160 Y161	T153-H157 WeakPolarHBondContact O-CB 3.44Å; T153-H157 PolarHBondContact O-N 3.03Å; S154-H157 PolarHBondContact O-N 3.26Å; Y155-H157 VanDerWaalsContact C-N 3.35Å; H157-L159 VanDerWaalsContact C-N 3.35Å; H157-L159 PolarHBondContact O-N 2.67Å; H157-S160 WeakPolarHBondContact O-CB 3.44Å; H157-S160 PolarHBondContact O-N 3.31Å; H157-S160 VanDerWaalsContact O-N 3.08Å; H157-S160 PolarHBondContact O-OG 3.48Å; H157-Y161 PolarHBondContact O-N 2.91Å
158	A	92.4	Very high	92.2	Very high	11 Å²	11	67.4 Å²	67.4	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-42.9	176.1	0	0	0	0	0	112.4	S154 Y155 S160 Y161 L162 L216 C220	S154-A158 WeakPolarHBondContact O-CB 3.42Å; S154-A158 PolarHBondContact O-N 3.22Å; Y155-A158 PolarHBondContact O-N 3.18Å; A158-S160 VanDerWaalsContact C-N 3.32Å; A158-S160 PolarHBondContact O-N 2.87Å; A158-Y161 PolarHBondContact O-N 3.42Å; A158-L162 WeakPolarHBondContact O-CG 3.47Å; A158-L162 PolarHBondContact O-N 3.48Å; A158-L216 HydrophobicContact CB-CD1 3.66Å; A158-L216 HydrophobicContact CB-CD2 3.93Å; A158-L216 HydrophobicContact CB-CG 4.43Å; A158-C220 HydrophobicContact CB-CB 3.79Å
159	L	91.5	Very high	92.1	Very high	1 Å²	1	68 Å²	68	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-40.4	173.6	-73.6	172.9	0	0	0	112.4	Y155 N156 H157 Y161 L162 L163 L210 K211 L216	Y155-L159 HydrophobicContact CD1-CD1 3.96Å; Y155-L159 HydrophobicContact CE1-CD1 3.48Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.48Å; Y155-L159 HydrophobicContact CE1-CG 4.42Å; Y155-L159 HydrophobicContact CE2-CD1 4.32Å; Y155-L159 HydrophobicContact CE2-CG 4.47Å; Y155-L159 WeakPolarHBondContact O-CG 3.32Å; Y155-L159 PolarHBondContact O-N 2.95Å; N156-L159 PolarHBondContact O-N 2.94Å; H157-L159 VanDerWaalsContact C-N 3.35Å; H157-L159 PolarHBondContact O-N 2.67Å; L159-Y161 VanDerWaalsContact C-N 3.3Å; L159-Y161 PolarHBondContact O-N 2.96Å; L159-L162 PolarHBondContact O-N 2.92Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.35Å; L159-L163 PolarHBondContact O-N 3.33Å; L159-L210 HydrophobicContact CD2-CB 4.24Å; L159-K211 HydrophobicContact CD1-CD 4.35Å; L159-K211 HydrophobicContact CD1-CG 3.7Å; L159-K211 HydrophobicContact CD2-CG 4.02Å; L159-L216 HydrophobicContact CD2-CD1 4.28Å; L159-L216 HydrophobicContact CG-CD1 4.26Å
160	S	90.6	Very high	92	Very high	46 Å²	46	67.9 Å²	67.9	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-34.5	177.9	78.7	0	0	0	0	112.3	N156 H157 A158 K164	N156-S160 PolarHBondContact O-N 3.34Å; H157-S160 WeakPolarHBondContact O-CB 3.44Å; H157-S160 PolarHBondContact O-N 3.31Å; H157-S160 VanDerWaalsContact O-N 3.08Å; H157-S160 PolarHBondContact O-OG 3.48Å; A158-S160 VanDerWaalsContact C-N 3.32Å; A158-S160 PolarHBondContact O-N 2.87Å; S160-K164 WeakPolarHBondContact O-CG 3.43Å; S160-K164 PolarHBondContact O-N 3.34Å
161	Y	91.8	Very high	91.9	Very high	139 Å²	139	72.9 Å²	72.9	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-48	174.5	-174.4	-90.3	0	0	0	111.1	H157 A158 L159 L163 K164 D165	H157-Y161 PolarHBondContact O-N 2.91Å; A158-Y161 PolarHBondContact O-N 3.42Å; L159-Y161 VanDerWaalsContact C-N 3.3Å; L159-Y161 PolarHBondContact O-N 2.96Å; Y161-L163 VanDerWaalsContact C-N 3.27Å; Y161-L163 PolarHBondContact O-N 3.34Å; Y161-K164 WeakPolarHBondContact O-CB 3.35Å; Y161-K164 PolarHBondContact O-N 3.18Å; Y161-D165 WeakPolarHBondContact CD1-OD2 3.4Å; Y161-D165 WeakPolarHBondContact CE1-OD2 3.38Å; Y161-D165 PolarHBondContact O-N 2.89Å
162	L	90.9	Very high	91.9	Very high	17 Å²	17	72 Å²	72	9%	0.089	35%	0.352	C	S	.	.	H	α-helix	trans	-62.2	-30.9	178.1	-69.9	175.8	0	0	0	113.7	A158 L159 H168 L210 V214 L216	A158-L162 WeakPolarHBondContact O-CG 3.47Å; A158-L162 PolarHBondContact O-N 3.48Å; L159-L162 PolarHBondContact O-N 2.92Å; L162-H168 HydrophobicContact CD2-CB 4.49Å; L162-H168 VanDerWaalsContact CD2-CD2 3.41Å; L162-H168 WeakPolarHBondContact CD2-CD2 3.26Å; L162-H168 WeakPolarHBondContact O-CB 3.4Å; L162-L210 HydrophobicContact CB-CD2 3.42Å; L162-L210 VanDerWaalsContact CB-CD2 3.42Å; L162-L210 HydrophobicContact CD1-CD2 4.3Å; L162-V214 HydrophobicContact CD1-CB 4.35Å; L162-V214 HydrophobicContact CD1-CG1 3.8Å; L162-L216 HydrophobicContact CD1-CD1 4.46Å; L162-L216 HydrophobicContact CD1-CD2 3.71Å; L162-L216 HydrophobicContact CD1-CG 4.26Å
163	L	90.7	Very high	91.9	Very high	35 Å²	35	69.7 Å²	69.7	18%	0.183	35%	0.346	C	S	.	.	H	α-helix	trans	-71.4	-31.7	174.7	-74.9	168.8	0	0	0	112.7	L159 Y161 L206 R207 L210	L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.35Å; L159-L163 PolarHBondContact O-N 3.33Å; Y161-L163 VanDerWaalsContact C-N 3.27Å; Y161-L163 PolarHBondContact O-N 3.34Å; L163-L206 HydrophobicContact CD2-CB 3.87Å; L163-R207 HydrophobicContact CD1-CB 3.86Å; L163-R207 HydrophobicContact CD1-CG 3.99Å; L163-R207 HydrophobicContact CD2-CB 4.43Å; L163-L210 HydrophobicContact CD2-CD2 3.99Å; L163-L210 HydrophobicContact CG-CD2 4.07Å
164	K	91.6	Very high	91.8	Very high	164 Å²	164	72.1 Å²	72.1	71%	0.713	35%	0.351	S	S	*	.	H	α-helix	trans	-73.2	-34.4	175.3	-70	170.9	-179	-179.9	0	111.3	S160 Y161 P166	S160-K164 WeakPolarHBondContact O-CG 3.43Å; S160-K164 PolarHBondContact O-N 3.34Å; Y161-K164 WeakPolarHBondContact O-CB 3.35Å; Y161-K164 PolarHBondContact O-N 3.18Å; K164-P166 WeakPolarHBondContact O-CD 3.25Å
165	D	91.6	Very high	91.8	Very high	37 Å²	37	73.6 Å²	73.6	20%	0.198	36%	0.356	C	S	.	.			trans	-64.5	120.1	179.6	-74	-22.6	0	0	0	112.1	Y161 K167 H168 R169	Y161-D165 WeakPolarHBondContact CD1-OD2 3.4Å; Y161-D165 WeakPolarHBondContact CE1-OD2 3.38Å; Y161-D165 PolarHBondContact O-N 2.89Å; D165-K167 VanDerWaalsContact C-N 3.29Å; D165-K167 PolarHBondContact O-N 2.98Å; D165-H168 HydrophobicContact CB-CB 4.34Å; D165-H168 PolarHBondContact O-N 2.95Å; D165-H168 IonicContact OD2-CD2 3.5Å; D165-R169 WeakPolarHBondContact O-CB 3.02Å; D165-R169 PolarHBondContact O-N 3.19Å
166	P	93.3	Very high	91.7	Very high	103 Å²	103	73.1 Å²	73.1	67%	0.669	36%	0.355	S	S	*	.	H	α-helix	trans	-64.1	-34.2	-175.2	23.9	-33.3	0	0	0	112.6	K164 A170	K164-P166 WeakPolarHBondContact O-CD 3.25Å; P166-A170 VanDerWaalsContact O-CB 3.25Å; P166-A170 WeakPolarHBondContact O-CB 3.35Å; P166-A170 PolarHBondContact O-N 3.32Å
167	K	91.8	Very high	91.6	Very high	170 Å²	170	76.7 Å²	76.7	74%	0.739	37%	0.373	S	S	*	.	H	α-helix	trans	-61.8	-47.4	178.6	-176	-179.3	-179.5	-179.6	0	111.9	D165 K171	D165-K167 VanDerWaalsContact C-N 3.29Å; D165-K167 PolarHBondContact O-N 2.98Å; K167-K171 PolarHBondContact O-N 3.22Å
168	H	90.5	Very high	91.5	Very high	64 Å²	64	74.1 Å²	74.1	30%	0.296	38%	0.375	S	S	.	.	H	α-helix	trans	-74.4	-40.2	-178.9	-67.1	-57.9	0	0	0	111.4	L162 D165 A170 K171 A172	L162-H168 HydrophobicContact CD2-CB 4.49Å; L162-H168 VanDerWaalsContact CD2-CD2 3.41Å; L162-H168 WeakPolarHBondContact CD2-CD2 3.26Å; L162-H168 WeakPolarHBondContact O-CB 3.4Å; D165-H168 HydrophobicContact CB-CB 4.34Å; D165-H168 PolarHBondContact O-N 2.95Å; D165-H168 IonicContact OD2-CD2 3.5Å; H168-A170 PolarHBondContact O-N 3.05Å; H168-K171 PolarHBondContact O-N 3.08Å; H168-A172 WeakPolarHBondContact O-CB 3.33Å; H168-A172 PolarHBondContact O-N 3.47Å
169	R	91.3	Very high	91.3	Very high	99 Å²	99	77.2 Å²	77.2	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-59.5	-43.8	174	-171.6	-179.9	-178.7	-166.3	2.2	112.5	D165 A172 K173 L206	D165-R169 WeakPolarHBondContact O-CB 3.02Å; D165-R169 PolarHBondContact O-N 3.19Å; R169-A172 PolarHBondContact O-N 2.86Å; R169-K173 WeakPolarHBondContact O-CG 3.4Å; R169-K173 PolarHBondContact O-N 3.43Å; R169-L206 HydrophobicContact CG-CD1 4.21Å
170	A	92.5	Very high	91	Very high	50 Å²	50	79.6 Å²	79.6	41%	0.413	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-46.3	177.7	0	0	0	0	0	111.8	P166 H168 A172 K173 Q174	P166-A170 VanDerWaalsContact O-CB 3.25Å; P166-A170 WeakPolarHBondContact O-CB 3.35Å; P166-A170 PolarHBondContact O-N 3.32Å; H168-A170 PolarHBondContact O-N 3.05Å; A170-A172 VanDerWaalsContact C-N 3.3Å; A170-A172 PolarHBondContact O-N 3.31Å; A170-K173 PolarHBondContact O-N 3.33Å; A170-Q174 WeakPolarHBondContact O-CG 3.35Å; A170-Q174 PolarHBondContact O-N 3.49Å
171	K	91.6	Very high	90.5	Very high	140 Å²	140	83 Å²	83	61%	0.609	42%	0.42	S	S	*	.	H	α-helix	trans	-59	-41.9	175.6	-173.5	178.4	179.4	-177.7	0	111.9	K167 H168 Q174 L175	K167-K171 PolarHBondContact O-N 3.22Å; H168-K171 PolarHBondContact O-N 3.08Å; K171-Q174 PolarHBondContact O-N 3.38Å; K171-L175 PolarHBondContact O-N 2.92Å
172	A	92.1	Very high	90	Very high	4 Å²	4	79.8 Å²	79.8	3%	0.033	41%	0.412	C	S	.	.	H	α-helix	trans	-66	-38.8	177.7	0	0	0	0	0	112.9	H168 R169 A170 L175 A176 L206 I209 L210	H168-A172 WeakPolarHBondContact O-CB 3.33Å; H168-A172 PolarHBondContact O-N 3.47Å; R169-A172 PolarHBondContact O-N 2.86Å; A170-A172 VanDerWaalsContact C-N 3.3Å; A170-A172 PolarHBondContact O-N 3.31Å; A172-L175 PolarHBondContact O-N 2.94Å; A172-A176 WeakPolarHBondContact O-CB 3.36Å; A172-A176 PolarHBondContact O-N 2.9Å; A172-L206 HydrophobicContact CB-CD2 3.87Å; A172-I209 HydrophobicContact CB-CG2 4.31Å; A172-L210 HydrophobicContact CB-CD1 3.23Å
173	K	92.6	Very high	89.5	Confident	79 Å²	79	86.2 Å²	86.2	34%	0.343	45%	0.446	S	S	.	.	H	α-helix	trans	-63.3	-43.2	172.6	-76.9	-174.5	175	-165.1	0	112	R169 A170 L175 A176 I177 L182 L206	R169-K173 WeakPolarHBondContact O-CG 3.4Å; R169-K173 PolarHBondContact O-N 3.43Å; A170-K173 PolarHBondContact O-N 3.33Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.29Å; K173-A176 WeakPolarHBondContact O-CB 3.48Å; K173-A176 PolarHBondContact O-N 3.4Å; K173-I177 VanDerWaalsContact O-CG1 3.28Å; K173-I177 WeakPolarHBondContact O-CG1 3.48Å; K173-I177 PolarHBondContact O-N 3.4Å; K173-L182 HydrophobicContact CB-CD1 4.46Å; K173-L182 HydrophobicContact CG-CD1 4.37Å; K173-L206 HydrophobicContact CB-CD2 4.48Å; K173-L206 HydrophobicContact CG-CD1 4.3Å; K173-L206 HydrophobicContact CG-CD2 3.7Å
174	Q	92	Very high	89.1	Confident	138 Å²	138	86.2 Å²	86.2	65%	0.645	45%	0.446	S	S	*	.	H	α-helix	trans	-60.3	-43.7	176.5	-73.7	176.3	-14.6	0	0	111.4	A170 K171 I177 A178	A170-Q174 WeakPolarHBondContact O-CG 3.35Å; A170-Q174 PolarHBondContact O-N 3.49Å; K171-Q174 PolarHBondContact O-N 3.38Å; Q174-I177 PolarHBondContact O-N 2.97Å; Q174-A178 PolarHBondContact O-N 3.16Å
175	L	89.9	Confident	88.7	Confident	64 Å²	64	81.8 Å²	81.8	34%	0.335	44%	0.436	S	S	.	.	H	α-helix	trans	-67.7	-40	176.3	-166.8	70.4	0	0	0	112.2	K171 A172 K173 I177 A178 D179 I209 T213	K171-L175 PolarHBondContact O-N 2.92Å; A172-L175 PolarHBondContact O-N 2.94Å; K173-L175 VanDerWaalsContact C-N 3.31Å; K173-L175 PolarHBondContact O-N 3.29Å; L175-I177 PolarHBondContact O-N 3.49Å; L175-A178 PolarHBondContact O-N 2.89Å; L175-A178 VanDerWaalsContact O-N 3.12Å; L175-D179 WeakPolarHBondContact O-CB 3.42Å; L175-D179 PolarHBondContact O-N 3.19Å; L175-I209 HydrophobicContact CB-CG2 4.37Å; L175-I209 HydrophobicContact CD2-CG2 3.91Å; L175-T213 HydrophobicContact CD2-CG2 3.11Å
176	A	90.4	Very high	88.4	Confident	3 Å²	3	86.1 Å²	86.1	3%	0.025	45%	0.453	C	S	.	.	H	α-helix	trans	-58.3	-37.5	175	0	0	0	0	0	112.7	A172 K173 G180 R181 L182 I209	A172-A176 WeakPolarHBondContact O-CB 3.36Å; A172-A176 PolarHBondContact O-N 2.9Å; K173-A176 WeakPolarHBondContact O-CB 3.48Å; K173-A176 PolarHBondContact O-N 3.4Å; A176-G180 PolarHBondContact O-N 2.92Å; A176-R181 PolarHBondContact O-N 3.5Å; A176-L182 HydrophobicContact CB-CB 4.01Å; A176-L182 HydrophobicContact CB-CD1 3.62Å; A176-L182 HydrophobicContact CB-CG 4.39Å; A176-L182 PolarHBondContact O-N 3.33Å; A176-I209 HydrophobicContact CB-CD1 3.34Å
177	I	91.4	Very high	87.9	Confident	114 Å²	114	88.1 Å²	88.1	59%	0.585	45%	0.448	S	S	*	.	H	α-helix	trans	-69.5	-45.8	175.3	-68.1	163.9	0	0	0	109.9	K173 Q174 L175 D179 G180 L182	K173-I177 VanDerWaalsContact O-CG1 3.28Å; K173-I177 WeakPolarHBondContact O-CG1 3.48Å; K173-I177 PolarHBondContact O-N 3.4Å; Q174-I177 PolarHBondContact O-N 2.97Å; L175-I177 PolarHBondContact O-N 3.49Å; I177-D179 VanDerWaalsContact C-N 3.32Å; I177-D179 PolarHBondContact O-N 3.49Å; I177-G180 PolarHBondContact O-N 3.37Å; I177-L182 HydrophobicContact CG1-CB 4.35Å; I177-L182 HydrophobicContact CG1-CD1 4.23Å
178	A	91	Very high	87.4	Confident	79 Å²	79	84.9 Å²	84.9	65%	0.653	44%	0.435	S	S	*	.	H	α-helix	trans	-60.6	-40.5	177.6	0	0	0	0	0	112.4	Q174 L175 G180	Q174-A178 PolarHBondContact O-N 3.16Å; L175-A178 PolarHBondContact O-N 2.89Å; L175-A178 VanDerWaalsContact O-N 3.12Å; A178-G180 PolarHBondContact O-N 2.88Å
179	D	87.6	Confident	86.9	Confident	76 Å²	76	89 Å²	89	41%	0.406	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.4	176.8	-66.1	-16.2	0	0	0	113	L175 I177 R181	L175-D179 WeakPolarHBondContact O-CB 3.42Å; L175-D179 PolarHBondContact O-N 3.19Å; I177-D179 VanDerWaalsContact C-N 3.32Å; I177-D179 PolarHBondContact O-N 3.49Å; D179-R181 HydrophobicContact CB-CB 4.43Å; D179-R181 HydrophobicContact CB-CG 3.84Å; D179-R181 PolarHBondContact O-N 2.91Å
180	G	85.4	Confident	86.4	Confident	50 Å²	50	88.6 Å²	88.6	52%	0.515	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	13.5	-174.9	0	0	0	0	0	114.9	A176 I177 A178	A176-G180 PolarHBondContact O-N 2.92Å; I177-G180 PolarHBondContact O-N 3.37Å; A178-G180 PolarHBondContact O-N 2.88Å
181	R	81.7	Confident	86.2	Confident	119 Å²	119	92.9 Å²	92.9	45%	0.449	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.1	-174.3	-66.2	179	-177.7	-178.3	3.1	114.4	A176 D179 N183 E212	A176-R181 PolarHBondContact O-N 3.5Å; D179-R181 HydrophobicContact CB-CB 4.43Å; D179-R181 HydrophobicContact CB-CG 3.84Å; D179-R181 PolarHBondContact O-N 2.91Å; R181-N183 VanDerWaalsContact C-N 3.31Å; R181-N183 PolarHBondContact O-N 3.42Å; R181-E212 IonicContact CZ-OE2 3.77Å; R181-E212 IonicContact NH1-OE1 3.37Å; R181-E212 IonicContact NH1-OE2 2.64Å; R181-E212 PolarHBondContact NH1-OE2 3.35Å
182	L	80.8	Confident	85.9	Confident	71 Å²	71	94.4 Å²	94.4	37%	0.372	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.8	-173.7	-160	124.9	0	0	0	114.3	K173 A176 I177 I184	K173-L182 HydrophobicContact CB-CD1 4.46Å; K173-L182 HydrophobicContact CG-CD1 4.37Å; A176-L182 HydrophobicContact CB-CB 4.01Å; A176-L182 HydrophobicContact CB-CD1 3.62Å; A176-L182 HydrophobicContact CB-CG 4.39Å; A176-L182 PolarHBondContact O-N 3.33Å; I177-L182 HydrophobicContact CG1-CB 4.35Å; I177-L182 HydrophobicContact CG1-CD1 4.23Å; L182-I184 PolarHBondContact O-N 3.38Å
183	N	80.5	Confident	85.7	Confident	152 Å²	152	95 Å²	95	81%	0.813	50%	0.502	S	S	*	.			trans	-75.4	87.9	179.6	-71.2	-23	0	0	0	111.4	R181	R181-N183 VanDerWaalsContact C-N 3.31Å; R181-N183 PolarHBondContact O-N 3.42Å
184	I	81.1	Confident	85.6	Confident	35 Å²	35	94.4 Å²	94.4	18%	0.179	50%	0.504	C	S	.	.			trans	-83.4	122.7	179.5	-59.3	163.9	0	0	0	110.1	L182 K186 L198 R201 E202 L205	L182-I184 PolarHBondContact O-N 3.38Å; I184-K186 PolarHBondContact O-N 3.4Å; I184-L198 HydrophobicContact CB-CD1 4.05Å; I184-L198 HydrophobicContact CG2-CD1 3.41Å; I184-L198 VanDerWaalsContact CG2-CD1 3.41Å; I184-R201 HydrophobicContact CG2-CB 4.12Å; I184-E202 HydrophobicContact CD1-CB 3.9Å; I184-E202 HydrophobicContact CD1-CG 3.05Å; I184-L205 HydrophobicContact CD1-CD1 3.79Å; I184-L205 HydrophobicContact CG1-CD1 3.47Å; I184-L205 VanDerWaalsContact CG1-CD1 3.47Å
185	S	83.2	Confident	85.5	Confident	71 Å²	71	96.4 Å²	96.4	50%	0.497	51%	0.506	S	S	.	.			trans	-61.3	126.9	172.4	-178.9	0	0	0	0	110.8	Y187	S185-Y187 PolarHBondContact O-N 2.92Å; S185-Y187 PolarHBondContact OG-N 3.46Å; S185-Y187 PolarHBondContact OG-O 2.87Å
186	K	85.2	Confident	85.6	Confident	128 Å²	128	97.6 Å²	97.6	56%	0.557	51%	0.513	S	S	*	.	S	Bend	trans	-75.3	-7.7	173.3	-66.2	179.3	-178.9	172.8	0	113.3	I184 L193	I184-K186 PolarHBondContact O-N 3.4Å; K186-L193 WeakPolarHBondContact O-CD1 3.37Å; K186-L193 PolarHBondContact O-N 2.92Å
187	Y	84	Confident	85.6	Confident	144 Å²	144	100 Å²	100	57%	0.565	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.5	-177.4	-62.5	-90.9	0	0	0	110.1	S185 R191 R192	S185-Y187 PolarHBondContact O-N 2.92Å; S185-Y187 PolarHBondContact OG-N 3.46Å; S185-Y187 PolarHBondContact OG-O 2.87Å; Y187-R191 WeakPolarHBondContact CA-O 3.44Å; Y187-R192 HydrophobicContact CD1-CB 4.02Å; Y187-R192 HydrophobicContact CD1-CG 4.48Å; Y187-R192 HydrophobicContact CE1-CB 3.86Å; Y187-R192 HydrophobicContact CE1-CG 4.15Å
188	E	80	Confident	85.6	Confident	103 Å²	103	96.5 Å²	96.5	48%	0.481	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.3	170.2	173.3	176	-142.1	0	0	107.3	G190 R191 L193 R201	E188-G190 PolarHBondContact O-N 3.41Å; E188-G190 VanDerWaalsContact O-N 3.08Å; E188-R191 PolarHBondContact N-O 3.47Å; E188-R191 WeakPolarHBondContact O-CA 3.13Å; E188-R191 PolarHBondContact O-N 2.83Å; E188-R191 VanDerWaalsContact O-O 3.05Å; E188-L193 HydrophobicContact CB-CD1 3.84Å; E188-L193 HydrophobicContact CB-CG 4.48Å; E188-R201 IonicContact OE1-NH2 3.44Å; E188-R201 PolarHBondContact OE1-NH2 2.89Å; E188-R201 IonicContact OE2-CZ 3.49Å; E188-R201 IonicContact OE2-NH2 2.77Å; E188-R201 PolarHBondContact OE2-NH2 3.49Å
189	V	80.5	Confident	85.6	Confident	149 Å²	149	97 Å²	97	90%	0.903	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	28.3	68.2	173.2	-167.4	0	0	0	0	113.5	R191	V189-R191 VanDerWaalsContact C-N 3.29Å; V189-R191 PolarHBondContact O-N 3.16Å
190	G	80.7	Confident	85.7	Confident	91 Å²	91	98.5 Å²	98.5	94%	0.938	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-5.8	175.2	0	0	0	0	0	116.9	E188	E188-G190 PolarHBondContact O-N 3.41Å; E188-G190 VanDerWaalsContact O-N 3.08Å
191	R	88.6	Confident	86	Confident	141 Å²	141	99.1 Å²	99.1	53%	0.532	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.2	177.9	176.5	175.8	168.3	-155.9	-12.3	111.4	Y187 E188 V189 E197	Y187-R191 WeakPolarHBondContact CA-O 3.44Å; E188-R191 PolarHBondContact N-O 3.47Å; E188-R191 WeakPolarHBondContact O-CA 3.13Å; E188-R191 PolarHBondContact O-N 2.83Å; E188-R191 VanDerWaalsContact O-O 3.05Å; V189-R191 VanDerWaalsContact C-N 3.29Å; V189-R191 PolarHBondContact O-N 3.16Å; R191-E197 IonicContact CZ-OE1 3.57Å; R191-E197 IonicContact NH1-OE1 3.79Å; R191-E197 IonicContact NH2-OE1 2.74Å; R191-E197 PolarHBondContact NH2-OE1 3.34Å; R191-E197 IonicContact NH2-OE2 3.31Å; R191-E197 PolarHBondContact NH2-OE2 2.84Å
192	R	86.3	Confident	86.4	Confident	171 Å²	171	96.8 Å²	96.8	65%	0.645	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	131	166.3	-176.6	177.8	176.5	177.2	0.1	109.2	Y187	Y187-R192 HydrophobicContact CD1-CB 4.02Å; Y187-R192 HydrophobicContact CD1-CG 4.48Å; Y187-R192 HydrophobicContact CE1-CB 3.86Å; Y187-R192 HydrophobicContact CE1-CG 4.15Å
193	L	86.6	Confident	86.9	Confident	18 Å²	18	98.7 Å²	98.7	9%	0.094	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-73.5	145.8	177	-72.6	114.5	0	0	0	112	K186 E188 E197 R201	K186-L193 WeakPolarHBondContact O-CD1 3.37Å; K186-L193 PolarHBondContact O-N 2.92Å; E188-L193 HydrophobicContact CB-CD1 3.84Å; E188-L193 HydrophobicContact CB-CG 4.48Å; L193-E197 HydrophobicContact CB-CB 4.39Å; L193-E197 HydrophobicContact CD2-CB 3.74Å; L193-E197 HydrophobicContact CD2-CG 4.45Å; L193-R201 VanDerWaalsContact CD2-NH2 3.31Å
194	T	90.8	Very high	87.4	Confident	65 Å²	65	96.9 Å²	96.9	40%	0.399	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-68.4	162.5	171.8	65.2	0	0	0	0	110.4	D196 E197 L198	T194-D196 PolarHBondContact O-N 2.93Å; T194-E197 WeakPolarHBondContact CB-OE2 3.24Å; T194-E197 WeakPolarHBondContact CG2-OE2 3.46Å; T194-E197 PolarHBondContact N-OE2 3.39Å; T194-E197 WeakPolarHBondContact OG1-CB 3.4Å; T194-E197 WeakPolarHBondContact OG1-CG 3.47Å; T194-E197 PolarHBondContact OG1-N 2.94Å; T194-E197 PolarHBondContact OG1-OE2 3.3Å; T194-L198 WeakPolarHBondContact O-CB 3.38Å; T194-L198 PolarHBondContact O-N 3.38Å
195	R	91.1	Very high	87.9	Confident	181 Å²	181	98.1 Å²	98.1	68%	0.683	48%	0.479	S	S	*	.	H	α-helix	trans	-61.2	-36.4	177.9	-170.5	-177.4	76	174.3	3	111.9	L198 K199	R195-L198 PolarHBondContact O-N 3.47Å; R195-K199 WeakPolarHBondContact O-CG 3.47Å; R195-K199 PolarHBondContact O-N 3.17Å; R195-K199 VanDerWaalsContact O-N 3.15Å
196	D	91.7	Very high	88.3	Confident	89 Å²	89	95 Å²	95	48%	0.476	46%	0.457	S	S	.	.	H	α-helix	trans	-77.8	-40	-175.6	-59	-34.6	0	0	0	111	T194 L198 K199 E200	T194-D196 PolarHBondContact O-N 2.93Å; D196-L198 VanDerWaalsContact C-N 3.27Å; D196-L198 PolarHBondContact O-N 3.47Å; D196-K199 WeakPolarHBondContact O-CB 3.46Å; D196-K199 PolarHBondContact O-N 3.3Å; D196-K199 VanDerWaalsContact O-N 3.14Å; D196-K199 IonicContact OD1-NZ 2.85Å; D196-K199 PolarHBondContact OD1-NZ 3.41Å; D196-E200 WeakPolarHBondContact O-CG 3.34Å; D196-E200 PolarHBondContact O-N 2.98Å
197	E	89.5	Confident	88.6	Confident	53 Å²	53	92.2 Å²	92.2	25%	0.248	44%	0.443	C	S	.	.	H	α-helix	trans	-59.4	-37.3	169.6	-70.2	162.2	164.1	0	0	112.1	R191 L193 T194 E200 R201	R191-E197 IonicContact CZ-OE1 3.57Å; R191-E197 IonicContact NH1-OE1 3.79Å; R191-E197 IonicContact NH2-OE1 2.74Å; R191-E197 PolarHBondContact NH2-OE1 3.34Å; R191-E197 IonicContact NH2-OE2 3.31Å; R191-E197 PolarHBondContact NH2-OE2 2.84Å; L193-E197 HydrophobicContact CB-CB 4.39Å; L193-E197 HydrophobicContact CD2-CB 3.74Å; L193-E197 HydrophobicContact CD2-CG 4.45Å; T194-E197 WeakPolarHBondContact CB-OE2 3.24Å; T194-E197 WeakPolarHBondContact CG2-OE2 3.46Å; T194-E197 PolarHBondContact N-OE2 3.39Å; T194-E197 WeakPolarHBondContact OG1-CB 3.4Å; T194-E197 WeakPolarHBondContact OG1-CG 3.47Å; T194-E197 PolarHBondContact OG1-N 2.94Å; T194-E197 PolarHBondContact OG1-OE2 3.3Å; E197-E200 PolarHBondContact O-N 2.7Å; E197-R201 WeakPolarHBondContact O-CG 3.26Å; E197-R201 PolarHBondContact O-N 3Å; E197-R201 VanDerWaalsContact O-N 3.09Å
198	L	90.6	Very high	89	Confident	40 Å²	40	88.7 Å²	88.7	21%	0.209	43%	0.434	C	S	.	.	H	α-helix	trans	-65	-41.5	176.2	-172.2	69.7	0	0	0	111.8	I184 T194 R195 D196 R201 E202	I184-L198 HydrophobicContact CB-CD1 4.05Å; I184-L198 HydrophobicContact CG2-CD1 3.41Å; I184-L198 VanDerWaalsContact CG2-CD1 3.41Å; T194-L198 WeakPolarHBondContact O-CB 3.38Å; T194-L198 PolarHBondContact O-N 3.38Å; R195-L198 PolarHBondContact O-N 3.47Å; D196-L198 VanDerWaalsContact C-N 3.27Å; D196-L198 PolarHBondContact O-N 3.47Å; L198-R201 WeakPolarHBondContact O-CB 3.23Å; L198-R201 PolarHBondContact O-N 3.48Å; L198-E202 PolarHBondContact O-N 2.88Å
199	K	90.9	Very high	89.5	Confident	89 Å²	89	84 Å²	84	39%	0.387	41%	0.412	S	S	.	.	H	α-helix	trans	-65.2	-42.6	175.9	-71.9	171.3	-177.4	171.4	0	111.8	R195 D196 R201 E202 E203	R195-K199 WeakPolarHBondContact O-CG 3.47Å; R195-K199 PolarHBondContact O-N 3.17Å; R195-K199 VanDerWaalsContact O-N 3.15Å; D196-K199 WeakPolarHBondContact O-CB 3.46Å; D196-K199 PolarHBondContact O-N 3.3Å; D196-K199 VanDerWaalsContact O-N 3.14Å; D196-K199 IonicContact OD1-NZ 2.85Å; D196-K199 PolarHBondContact OD1-NZ 3.41Å; K199-R201 PolarHBondContact O-N 2.98Å; K199-E202 WeakPolarHBondContact O-CB 3.3Å; K199-E202 PolarHBondContact O-N 3.27Å; K199-E202 VanDerWaalsContact O-N 3.16Å; K199-E203 WeakPolarHBondContact O-CG 3.33Å; K199-E203 PolarHBondContact O-N 3.33Å
200	E	90.8	Very high	90	Very high	109 Å²	109	77 Å²	77	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-37.9	176.4	-72.8	178.1	-176.2	0	0	111.3	D196 E197 E203 Q204	D196-E200 WeakPolarHBondContact O-CG 3.34Å; D196-E200 PolarHBondContact O-N 2.98Å; E197-E200 PolarHBondContact O-N 2.7Å; E200-E203 PolarHBondContact O-N 2.97Å; E200-Q204 WeakPolarHBondContact O-CB 3.29Å; E200-Q204 WeakPolarHBondContact O-CG 3.46Å; E200-Q204 PolarHBondContact O-N 3.4Å
201	R	90.6	Very high	90.4	Very high	62 Å²	62	75.7 Å²	75.7	23%	0.234	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-43.5	173.1	-74.8	-178.1	178	172.5	3.8	113.1	I184 E188 L193 E197 L198 K199 E203 Q204 L205	I184-R201 HydrophobicContact CG2-CB 4.12Å; E188-R201 IonicContact OE1-NH2 3.44Å; E188-R201 PolarHBondContact OE1-NH2 2.89Å; E188-R201 IonicContact OE2-CZ 3.49Å; E188-R201 IonicContact OE2-NH2 2.77Å; E188-R201 PolarHBondContact OE2-NH2 3.49Å; L193-R201 VanDerWaalsContact CD2-NH2 3.31Å; E197-R201 WeakPolarHBondContact O-CG 3.26Å; E197-R201 PolarHBondContact O-N 3Å; E197-R201 VanDerWaalsContact O-N 3.09Å; L198-R201 WeakPolarHBondContact O-CB 3.23Å; L198-R201 PolarHBondContact O-N 3.48Å; K199-R201 PolarHBondContact O-N 2.98Å; R201-E203 VanDerWaalsContact C-N 3.29Å; R201-E203 PolarHBondContact O-N 3.3Å; R201-Q204 PolarHBondContact O-N 2.89Å; R201-L205 WeakPolarHBondContact O-CB 3.41Å; R201-L205 WeakPolarHBondContact O-CG 3.45Å; R201-L205 PolarHBondContact O-N 2.94Å
202	E	90.4	Very high	90.3	Very high	71 Å²	71	75 Å²	75	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-55.9	-47.7	172.1	-76.5	-177.8	-166.9	0	0	110.8	I184 L198 K199 L205 L206	I184-E202 HydrophobicContact CD1-CB 3.9Å; I184-E202 HydrophobicContact CD1-CG 3.05Å; L198-E202 PolarHBondContact O-N 2.88Å; K199-E202 WeakPolarHBondContact O-CB 3.3Å; K199-E202 PolarHBondContact O-N 3.27Å; K199-E202 VanDerWaalsContact O-N 3.16Å; E202-L205 PolarHBondContact O-N 3.14Å; E202-L206 WeakPolarHBondContact O-CB 3.41Å; E202-L206 VanDerWaalsContact O-CG 3.25Å; E202-L206 WeakPolarHBondContact O-CG 3.47Å; E202-L206 PolarHBondContact O-N 2.96Å
203	E	91.5	Very high	90.3	Very high	110 Å²	110	70.1 Å²	70.1	51%	0.514	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-41.1	179	-72.4	-176.4	-176.7	0	0	112.3	K199 E200 R201 L206 R207	K199-E203 WeakPolarHBondContact O-CG 3.33Å; K199-E203 PolarHBondContact O-N 3.33Å; E200-E203 PolarHBondContact O-N 2.97Å; R201-E203 VanDerWaalsContact C-N 3.29Å; R201-E203 PolarHBondContact O-N 3.3Å; E203-L206 PolarHBondContact O-N 3.03Å; E203-R207 WeakPolarHBondContact O-CB 3.35Å; E203-R207 PolarHBondContact O-N 3.35Å
204	Q	91.7	Very high	90.2	Very high	114 Å²	114	71.3 Å²	71.3	53%	0.533	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-41.3	175.5	-75.2	174	13	0	0	112.2	E200 R201 R207 N208	E200-Q204 WeakPolarHBondContact O-CB 3.29Å; E200-Q204 WeakPolarHBondContact O-CG 3.46Å; E200-Q204 PolarHBondContact O-N 3.4Å; R201-Q204 PolarHBondContact O-N 2.89Å; Q204-R207 WeakPolarHBondContact O-CB 3.44Å; Q204-R207 PolarHBondContact O-N 3.3Å; Q204-N208 WeakPolarHBondContact O-CB 3.43Å; Q204-N208 PolarHBondContact O-N 2.84Å; Q204-N208 PolarHBondContact O-ND2 3.48Å
205	L	90.9	Very high	89.5	Confident	62 Å²	62	75.9 Å²	75.9	33%	0.325	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-48.8	175	-74.1	177.1	0	0	0	111.2	I184 R201 E202 R207 N208 I209	I184-L205 HydrophobicContact CD1-CD1 3.79Å; I184-L205 HydrophobicContact CG1-CD1 3.47Å; I184-L205 VanDerWaalsContact CG1-CD1 3.47Å; R201-L205 WeakPolarHBondContact O-CB 3.41Å; R201-L205 WeakPolarHBondContact O-CG 3.45Å; R201-L205 PolarHBondContact O-N 2.94Å; E202-L205 PolarHBondContact O-N 3.14Å; L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 3.38Å; L205-N208 PolarHBondContact O-N 3.48Å; L205-N208 VanDerWaalsContact O-N 3.14Å; L205-I209 WeakPolarHBondContact O-CG1 3.38Å; L205-I209 PolarHBondContact O-N 2.81Å
206	L	91.6	Very high	89	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-39.9	175.3	-68.9	173.7	0	0	0	111.2	L163 R169 A172 K173 E202 E203 N208 I209 L210	L163-L206 HydrophobicContact CD2-CB 3.87Å; R169-L206 HydrophobicContact CG-CD1 4.21Å; A172-L206 HydrophobicContact CB-CD2 3.87Å; K173-L206 HydrophobicContact CB-CD2 4.48Å; K173-L206 HydrophobicContact CG-CD1 4.3Å; K173-L206 HydrophobicContact CG-CD2 3.7Å; E202-L206 WeakPolarHBondContact O-CB 3.41Å; E202-L206 VanDerWaalsContact O-CG 3.25Å; E202-L206 WeakPolarHBondContact O-CG 3.47Å; E202-L206 PolarHBondContact O-N 2.96Å; E203-L206 PolarHBondContact O-N 3.03Å; L206-N208 VanDerWaalsContact C-N 3.35Å; L206-N208 PolarHBondContact O-N 3.2Å; L206-I209 PolarHBondContact O-N 2.99Å; L206-L210 WeakPolarHBondContact O-CB 3.22Å; L206-L210 VanDerWaalsContact O-CD1 3.32Å; L206-L210 WeakPolarHBondContact O-CD1 3.24Å; L206-L210 PolarHBondContact O-N 3.15Å
207	R	92.3	Very high	88.3	Confident	68 Å²	68	70.2 Å²	70.2	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-43.7	175.3	-171.4	174.6	-167.1	-109.8	-8.3	111.5	N156 L163 E203 Q204 L205 L210 K211	N156-R207 PolarHBondContact OD1-NH2 3.09Å; L163-R207 HydrophobicContact CD1-CB 3.86Å; L163-R207 HydrophobicContact CD1-CG 3.99Å; L163-R207 HydrophobicContact CD2-CB 4.43Å; E203-R207 WeakPolarHBondContact O-CB 3.35Å; E203-R207 PolarHBondContact O-N 3.35Å; Q204-R207 WeakPolarHBondContact O-CB 3.44Å; Q204-R207 PolarHBondContact O-N 3.3Å; L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 3.38Å; R207-L210 PolarHBondContact O-N 3.23Å; R207-K211 VanDerWaalsContact O-CG 3.27Å; R207-K211 WeakPolarHBondContact O-CG 3.29Å; R207-K211 PolarHBondContact O-N 2.98Å
208	N	91.5	Very high	87.6	Confident	70 Å²	70	70 Å²	70	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-67.2	-41.7	178.8	-69.4	-18.6	0	0	0	111.6	Q204 L205 L206 L210 K211 E212	Q204-N208 WeakPolarHBondContact O-CB 3.43Å; Q204-N208 PolarHBondContact O-N 2.84Å; Q204-N208 PolarHBondContact O-ND2 3.48Å; L205-N208 PolarHBondContact O-N 3.48Å; L205-N208 VanDerWaalsContact O-N 3.14Å; L206-N208 VanDerWaalsContact C-N 3.35Å; L206-N208 PolarHBondContact O-N 3.2Å; N208-L210 VanDerWaalsContact C-N 3.33Å; N208-L210 PolarHBondContact O-N 3.24Å; N208-K211 WeakPolarHBondContact O-CB 3.44Å; N208-K211 PolarHBondContact O-N 2.81Å; N208-K211 VanDerWaalsContact O-N 3.16Å; N208-K211 PolarHBondContact OD1-NZ 2.9Å; N208-E212 WeakPolarHBondContact O-CG 3.39Å; N208-E212 PolarHBondContact O-N 2.81Å
209	I	91.1	Very high	86.8	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-42.7	173.6	-66.8	169.7	0	0	0	110.9	A172 L175 A176 L205 L206 K211 E212 T213	A172-I209 HydrophobicContact CB-CG2 4.31Å; L175-I209 HydrophobicContact CB-CG2 4.37Å; L175-I209 HydrophobicContact CD2-CG2 3.91Å; A176-I209 HydrophobicContact CB-CD1 3.34Å; L205-I209 WeakPolarHBondContact O-CG1 3.38Å; L205-I209 PolarHBondContact O-N 2.81Å; L206-I209 PolarHBondContact O-N 2.99Å; I209-K211 VanDerWaalsContact C-N 3.35Å; I209-K211 PolarHBondContact O-N 3.39Å; I209-E212 PolarHBondContact O-N 3.49Å; I209-T213 HydrophobicContact CG2-CG2 4.07Å; I209-T213 WeakPolarHBondContact O-CB 3.26Å; I209-T213 WeakPolarHBondContact O-CG2 3.29Å; I209-T213 PolarHBondContact O-N 2.85Å; I209-T213 PolarHBondContact O-OG1 3.44Å
210	L	90.1	Very high	86.3	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-60.7	-42.3	174.1	-102.4	69.9	0	0	0	112.2	L159 L162 L163 A172 L206 R207 N208 E212 T213 V214	L159-L210 HydrophobicContact CD2-CB 4.24Å; L162-L210 HydrophobicContact CB-CD2 3.42Å; L162-L210 VanDerWaalsContact CB-CD2 3.42Å; L162-L210 HydrophobicContact CD1-CD2 4.3Å; L163-L210 HydrophobicContact CD2-CD2 3.99Å; L163-L210 HydrophobicContact CG-CD2 4.07Å; A172-L210 HydrophobicContact CB-CD1 3.23Å; L206-L210 WeakPolarHBondContact O-CB 3.22Å; L206-L210 VanDerWaalsContact O-CD1 3.32Å; L206-L210 WeakPolarHBondContact O-CD1 3.24Å; L206-L210 PolarHBondContact O-N 3.15Å; R207-L210 PolarHBondContact O-N 3.23Å; N208-L210 VanDerWaalsContact C-N 3.33Å; N208-L210 PolarHBondContact O-N 3.24Å; L210-E212 VanDerWaalsContact C-N 3.25Å; L210-E212 PolarHBondContact O-N 2.83Å; L210-T213 PolarHBondContact O-N 3.27Å; L210-V214 HydrophobicContact CG-CG2 4.29Å; L210-V214 WeakPolarHBondContact O-CA 3.45Å; L210-V214 VanDerWaalsContact O-CB 3.32Å; L210-V214 WeakPolarHBondContact O-CB 3.45Å; L210-V214 PolarHBondContact O-N 2.93Å
211	K	89.5	Confident	85.9	Confident	64 Å²	64	67.8 Å²	67.8	28%	0.278	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-33.1	176.7	-70.9	170.7	-177.1	163.5	0	112.9	Y155 L159 R207 N208 I209	Y155-K211 WeakPolarHBondContact OH-CG 3.37Å; L159-K211 HydrophobicContact CD1-CD 4.35Å; L159-K211 HydrophobicContact CD1-CG 3.7Å; L159-K211 HydrophobicContact CD2-CG 4.02Å; R207-K211 VanDerWaalsContact O-CG 3.27Å; R207-K211 WeakPolarHBondContact O-CG 3.29Å; R207-K211 PolarHBondContact O-N 2.98Å; N208-K211 WeakPolarHBondContact O-CB 3.44Å; N208-K211 PolarHBondContact O-N 2.81Å; N208-K211 VanDerWaalsContact O-N 3.16Å; N208-K211 PolarHBondContact OD1-NZ 2.9Å; I209-K211 VanDerWaalsContact C-N 3.35Å; I209-K211 PolarHBondContact O-N 3.39Å
212	E	87.8	Confident	85.7	Confident	127 Å²	127	73.3 Å²	73.3	59%	0.593	36%	0.361	S	S	*	.	H	α-helix	trans	-80.1	-35.3	179.2	-72.3	173	-167.7	0	0	112	R181 N208 I209 L210	R181-E212 IonicContact CZ-OE2 3.77Å; R181-E212 IonicContact NH1-OE1 3.37Å; R181-E212 IonicContact NH1-OE2 2.64Å; R181-E212 PolarHBondContact NH1-OE2 3.35Å; N208-E212 WeakPolarHBondContact O-CG 3.39Å; N208-E212 PolarHBondContact O-N 2.81Å; I209-E212 PolarHBondContact O-N 3.49Å; L210-E212 VanDerWaalsContact C-N 3.25Å; L210-E212 PolarHBondContact O-N 2.83Å
213	T	84.6	Confident	85.5	Confident	69 Å²	69	70.9 Å²	70.9	42%	0.423	35%	0.351	S	S	.	.	H	α-helix	trans	-98.1	-28.9	-170.2	55.4	0	0	0	0	114.6	L175 I209 L210	L175-T213 HydrophobicContact CD2-CG2 3.11Å; I209-T213 HydrophobicContact CG2-CG2 4.07Å; I209-T213 WeakPolarHBondContact O-CB 3.26Å; I209-T213 WeakPolarHBondContact O-CG2 3.29Å; I209-T213 PolarHBondContact O-N 2.85Å; I209-T213 PolarHBondContact O-OG1 3.44Å; L210-T213 PolarHBondContact O-N 3.27Å
214	V	84.6	Confident	85.4	Confident	42 Å²	42	67.7 Å²	67.7	26%	0.255	34%	0.341	S	S	.	.			trans	-106.8	104.5	-174.1	-174.6	0	0	0	0	109.4	L162 L210 L216	L162-V214 HydrophobicContact CD1-CB 4.35Å; L162-V214 HydrophobicContact CD1-CG1 3.8Å; L210-V214 HydrophobicContact CG-CG2 4.29Å; L210-V214 WeakPolarHBondContact O-CA 3.45Å; L210-V214 VanDerWaalsContact O-CB 3.32Å; L210-V214 WeakPolarHBondContact O-CB 3.45Å; L210-V214 PolarHBondContact O-N 2.93Å; V214-L216 HydrophobicContact CG1-CD2 4.4Å; V214-L216 HydrophobicContact CG1-CG 4.32Å; V214-L216 PolarHBondContact O-N 3.41Å; V214-L216 VanDerWaalsContact O-N 3.08Å
215	E	77.3	Confident	85.2	Confident	162 Å²	162	67.7 Å²	67.7	76%	0.757	35%	0.345	S	S	*	.			trans	-76	92.3	164.2	-64.2	-171.2	169.4	0	0	109.7	R217	E215-R217 PolarHBondContact O-N 2.87Å
216	L	80.4	Confident	85	Confident	31 Å²	31	72.8 Å²	72.8	16%	0.162	36%	0.364	C	S	.	.			trans	-59.8	136	167.9	-71.7	164.8	0	0	0	109.5	Y155 A158 L159 L162 V214 C220 C221	Y155-L216 HydrophobicContact CD2-CD1 3.75Å; Y155-L216 HydrophobicContact CE2-CD1 3.81Å; A158-L216 HydrophobicContact CB-CD1 3.66Å; A158-L216 HydrophobicContact CB-CD2 3.93Å; A158-L216 HydrophobicContact CB-CG 4.43Å; L159-L216 HydrophobicContact CD2-CD1 4.28Å; L159-L216 HydrophobicContact CG-CD1 4.26Å; L162-L216 HydrophobicContact CD1-CD1 4.46Å; L162-L216 HydrophobicContact CD1-CD2 3.71Å; L162-L216 HydrophobicContact CD1-CG 4.26Å; V214-L216 HydrophobicContact CG1-CD2 4.4Å; V214-L216 HydrophobicContact CG1-CG 4.32Å; V214-L216 PolarHBondContact O-N 3.41Å; V214-L216 VanDerWaalsContact O-N 3.08Å; L216-C220 HydrophobicContact CB-CB 4.22Å; L216-C220 WeakPolarHBondContact CB-O 3.35Å; L216-C220 WeakPolarHBondContact CD1-O 3.35Å; L216-C220 HydrophobicContact CD2-CB 4.45Å; L216-C221 WeakPolarHBondContact O-CA 3.15Å; L216-C221 PolarHBondContact O-SG 3.46Å
217	R	75.5	Confident	84.7	Confident	119 Å²	119	77.2 Å²	77.2	45%	0.449	38%	0.38	S	S	.	.			trans	-103.2	161	-178.7	-66.6	-175.6	-178.9	177.7	1.8	111.9	E215 C221 E280	E215-R217 PolarHBondContact O-N 2.87Å; R217-C221 WeakPolarHBondContact CA-SG 3.36Å; R217-E280 IonicContact NH1-OE1 3.77Å; R217-E280 IonicContact NH1-OE2 3.47Å
218	G	75	Confident	84.7	Confident	48 Å²	48	74.4 Å²	74.4	50%	0.495	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	70.1	-133.2	177.4	0	0	0	0	0	114.5	C220 C221 R227	G218-C220 VanDerWaalsContact C-N 3.26Å; G218-C220 PolarHBondContact O-N 2.91Å; G218-C221 PolarHBondContact N-SG 3.06Å; G218-C221 WeakPolarHBondContact O-CB 3.35Å; G218-C221 PolarHBondContact O-N 3.32Å; G218-C221 PolarHBondContact O-SG 3.37Å; G218-R227 PolarHBondContact O-NH1 2.91Å; G218-R227 VanDerWaalsContact O-NH1 3.11Å
219	D	73.8	Confident	84.7	Confident	139 Å²	139	73.5 Å²	73.5	74%	0.743	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-75.3	-15.8	179.7	-61	-34.4	0	0	0	113	S154 C221	S154-D219 WeakPolarHBondContact CB-O 3.3Å; S154-D219 PolarHBondContact OG-O 2.88Å; D219-C221 VanDerWaalsContact C-N 3.33Å
220	C	81.6	Confident	84.7	Confident	44 Å²	44	75.9 Å²	75.9	30%	0.297	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-88.4	2.5	176.3	-61.3	0	0	0	0	112.6	S154 Y155 A158 L216 G218	S154-C220 PolarHBondContact OG-SG 3.39Å; Y155-C220 VanDerWaalsContact CD2-O 3.3Å; Y155-C220 WeakPolarHBondContact CD2-O 3.37Å; A158-C220 HydrophobicContact CB-CB 3.79Å; L216-C220 HydrophobicContact CB-CB 4.22Å; L216-C220 WeakPolarHBondContact CB-O 3.35Å; L216-C220 WeakPolarHBondContact CD1-O 3.35Å; L216-C220 HydrophobicContact CD2-CB 4.45Å; G218-C220 VanDerWaalsContact C-N 3.26Å; G218-C220 PolarHBondContact O-N 2.91Å
221	C	82.6	Confident	84.8	Confident	10 Å²	10	77.4 Å²	77.4	7%	0.068	39%	0.387	C	S	.	.	S	Bend	trans	-64.4	159.2	179.9	-69.4	0	0	0	0	112.7	Q151 L216 R217 G218 D219 R227	Q151-C221 PolarHBondContact NE2-O 2.89Å; L216-C221 WeakPolarHBondContact O-CA 3.15Å; L216-C221 PolarHBondContact O-SG 3.46Å; R217-C221 WeakPolarHBondContact CA-SG 3.36Å; G218-C221 PolarHBondContact N-SG 3.06Å; G218-C221 WeakPolarHBondContact O-CB 3.35Å; G218-C221 PolarHBondContact O-N 3.32Å; G218-C221 PolarHBondContact O-SG 3.37Å; D219-C221 VanDerWaalsContact C-N 3.33Å; C221-R227 PolarHBondContact SG-NH1 2.96Å; C221-R227 PolarHBondContact SG-NH2 3.43Å
222	R	85.8	Confident	84.9	Confident	178 Å²	178	81.2 Å²	81.2	67%	0.672	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-49.8	132.4	170.3	-170.3	177	-179.8	166.2	-0.5	111.1	Q151 Y155 S224	Q151-R222 PolarHBondContact NE2-O 3.31Å; Y155-R222 HydrophobicContact CD2-CB 4.42Å; Y155-R222 HydrophobicContact CE2-CB 3.93Å; Y155-R222 HydrophobicContact CE2-CG 4.44Å; R222-S224 PolarHBondContact O-N 2.91Å
223	P	87	Confident	85.1	Confident	19 Å²	19	79.2 Å²	79.2	12%	0.123	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-54.2	126.4	176.6	22.6	-35.1	0	0	0	110	Y148 W152	Y148-P223 HydrophobicContact CE2-CB 3.89Å; W152-P223 HydrophobicContact CE3-CB 4.06Å; W152-P223 HydrophobicContact CE3-CG 3.46Å; W152-P223 VanDerWaalsContact CE3-CG 3.46Å; W152-P223 HydrophobicContact CZ3-CG 3.74Å
224	S	87.7	Confident	85.5	Confident	43 Å²	43	81.6 Å²	81.6	30%	0.301	40%	0.402	S	S	.	.			trans	-138.9	128.4	-176.6	-178.3	0	0	0	0	110.2	R222 K226 R227	R222-S224 PolarHBondContact O-N 2.91Å; S224-K226 PolarHBondContact O-N 3Å; S224-R227 WeakPolarHBondContact O-CB 3.23Å; S224-R227 PolarHBondContact O-N 2.86Å
225	L	87.5	Confident	86	Confident	115 Å²	115	84.5 Å²	84.5	60%	0.602	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-60.7	-31.4	178.9	-63.1	177	0	0	0	112.2	Y148 R227 V228 V231	Y148-L225 HydrophobicContact CD2-CD2 4.33Å; Y148-L225 HydrophobicContact CE2-CD2 4.05Å; L225-R227 PolarHBondContact O-N 3.21Å; L225-V228 WeakPolarHBondContact O-CB 3.38Å; L225-V228 PolarHBondContact O-N 3.27Å; L225-V228 VanDerWaalsContact O-N 3.1Å; L225-V231 WeakPolarHBondContact O-CB 3.38Å; L225-V231 WeakPolarHBondContact O-CG1 3.4Å; L225-V231 WeakPolarHBondContact O-CG2 3.27Å
226	K	86.7	Confident	86.8	Confident	169 Å²	169	82.9 Å²	82.9	74%	0.735	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-60.7	-19.1	176.8	-64.4	-176.2	179.5	-179.4	0	113.4	S224 R232	S224-K226 PolarHBondContact O-N 3Å; K226-R232 WeakPolarHBondContact O-CG 3.41Å
227	R	86.5	Confident	87.5	Confident	99 Å²	99	85.6 Å²	85.6	37%	0.374	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-93.5	-13.7	-179.4	-63.9	-174.6	177.3	-162.3	4.3	113.8	G218 C221 S224 L225 R232	G218-R227 PolarHBondContact O-NH1 2.91Å; G218-R227 VanDerWaalsContact O-NH1 3.11Å; C221-R227 PolarHBondContact SG-NH1 2.96Å; C221-R227 PolarHBondContact SG-NH2 3.43Å; S224-R227 WeakPolarHBondContact O-CB 3.23Å; S224-R227 PolarHBondContact O-N 2.86Å; L225-R227 PolarHBondContact O-N 3.21Å; R227-R232 PolarHBondContact O-NE 3.04Å
228	V	92.3	Very high	88.4	Confident	8 Å²	8	87.1 Å²	87.1	5%	0.048	43%	0.427	C	S	.	.	S	Bend	trans	-69.5	136.9	-178.7	175.8	0	0	0	0	109.9	S144 Y148 L225 L230 V231 R232	S144-V228 WeakPolarHBondContact OG-CG1 3.42Å; Y148-V228 HydrophobicContact CD2-CG2 3.95Å; L225-V228 WeakPolarHBondContact O-CB 3.38Å; L225-V228 PolarHBondContact O-N 3.27Å; L225-V228 VanDerWaalsContact O-N 3.1Å; V228-L230 VanDerWaalsContact C-N 3.34Å; V228-L230 PolarHBondContact O-N 3.11Å; V228-V231 HydrophobicContact CB-CB 4.39Å; V228-V231 HydrophobicContact CB-CG2 4.21Å; V228-V231 PolarHBondContact O-N 3.25Å; V228-V231 VanDerWaalsContact O-N 3.14Å; V228-R232 WeakPolarHBondContact O-CG 3.28Å; V228-R232 PolarHBondContact O-N 3.17Å
229	L	90.9	Very high	89.3	Confident	51 Å²	51	88.2 Å²	88.2	27%	0.267	42%	0.424	S	S	.	.	H	α-helix	trans	-52.1	-48	-174.5	177.7	67.9	0	0	0	113.2	L140 I143 V231 R232 I233	L140-L229 HydrophobicContact CD2-CD2 3.87Å; I143-L229 HydrophobicContact CG2-CD2 3.95Å; L229-V231 VanDerWaalsContact C-N 3.33Å; L229-V231 PolarHBondContact O-N 3.07Å; L229-R232 WeakPolarHBondContact O-CB 3.19Å; L229-R232 PolarHBondContact O-N 3.28Å; L229-R232 VanDerWaalsContact O-N 3.16Å; L229-I233 HydrophobicContact CD1-CD1 4.02Å; L229-I233 HydrophobicContact CD1-CG1 4.26Å; L229-I233 HydrophobicContact CD2-CD1 4.44Å; L229-I233 HydrophobicContact CG-CD1 3.82Å; L229-I233 HydrophobicContact CG-CG1 4.42Å; L229-I233 WeakPolarHBondContact O-CG1 3.5Å; L229-I233 PolarHBondContact O-N 3.1Å
230	L	91.2	Very high	90.3	Very high	55 Å²	55	83.4 Å²	83.4	29%	0.288	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-42.1	-177.9	-172.5	148.3	0	0	0	111.9	L141 V228 R232 I233 L234	L141-L230 HydrophobicContact CD2-CD1 3.44Å; L141-L230 VanDerWaalsContact CD2-CD1 3.44Å; L141-L230 HydrophobicContact CG-CD1 3.84Å; V228-L230 VanDerWaalsContact C-N 3.34Å; V228-L230 PolarHBondContact O-N 3.11Å; L230-R232 VanDerWaalsContact C-N 3.34Å; L230-I233 PolarHBondContact O-N 3.05Å; L230-L234 WeakPolarHBondContact O-CB 3.48Å; L230-L234 PolarHBondContact O-N 3.09Å
231	V	91.7	Very high	91	Very high	33 Å²	33	87.6 Å²	87.6	20%	0.2	41%	0.412	C	S	.	.	H	α-helix	trans	-65.3	-41.1	176	178.5	0	0	0	0	110.4	L225 V228 L229 L234 F235	L225-V231 WeakPolarHBondContact O-CB 3.38Å; L225-V231 WeakPolarHBondContact O-CG1 3.4Å; L225-V231 WeakPolarHBondContact O-CG2 3.27Å; V228-V231 HydrophobicContact CB-CB 4.39Å; V228-V231 HydrophobicContact CB-CG2 4.21Å; V228-V231 PolarHBondContact O-N 3.25Å; V228-V231 VanDerWaalsContact O-N 3.14Å; L229-V231 VanDerWaalsContact C-N 3.33Å; L229-V231 PolarHBondContact O-N 3.07Å; V231-L234 PolarHBondContact O-N 3.17Å; V231-F235 HydrophobicContact CG1-CD2 3.56Å; V231-F235 HydrophobicContact CG1-CE2 3.6Å; V231-F235 VanDerWaalsContact O-CD2 3.22Å; V231-F235 WeakPolarHBondContact O-CD2 3.26Å; V231-F235 PolarHBondContact O-N 3.04Å
232	R	92.3	Very high	91.6	Very high	144 Å²	144	90.5 Å²	90.5	54%	0.543	43%	0.426	S	S	.	.	H	α-helix	trans	-61.4	-44.3	174.5	-73	-179.1	174	172.8	7.3	112.1	K226 R227 V228 L229 L230 L234 F235 F236	K226-R232 WeakPolarHBondContact O-CG 3.41Å; R227-R232 PolarHBondContact O-NE 3.04Å; V228-R232 WeakPolarHBondContact O-CG 3.28Å; V228-R232 PolarHBondContact O-N 3.17Å; L229-R232 WeakPolarHBondContact O-CB 3.19Å; L229-R232 PolarHBondContact O-N 3.28Å; L229-R232 VanDerWaalsContact O-N 3.16Å; L230-R232 VanDerWaalsContact C-N 3.34Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 2.92Å; R232-F235 CarbonylContact O-C 3.52Å; R232-F235 PolarHBondContact O-N 3.38Å; R232-F236 WeakPolarHBondContact O-CA 3.42Å; R232-F236 VanDerWaalsContact O-CB 3.25Å; R232-F236 WeakPolarHBondContact O-CB 2.81Å; R232-F236 PolarHBondContact O-N 2.99Å
233	I	92.7	Very high	92.1	Very high	86 Å²	86	88.9 Å²	88.9	44%	0.441	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-43	176.6	-70	168.5	0	0	0	110.2	L140 L229 L230 F236 P237	L140-I233 HydrophobicContact CD1-CD1 4.36Å; L140-I233 HydrophobicContact CD2-CD1 4.11Å; L229-I233 HydrophobicContact CD1-CD1 4.02Å; L229-I233 HydrophobicContact CD1-CG1 4.26Å; L229-I233 HydrophobicContact CD2-CD1 4.44Å; L229-I233 HydrophobicContact CG-CD1 3.82Å; L229-I233 HydrophobicContact CG-CG1 4.42Å; L229-I233 WeakPolarHBondContact O-CG1 3.5Å; L229-I233 PolarHBondContact O-N 3.1Å; L230-I233 PolarHBondContact O-N 3.05Å; I233-F236 WeakPolarHBondContact O-CB 3.35Å; I233-F236 PolarHBondContact O-N 3.14Å; I233-P237 WeakPolarHBondContact O-CD 3.49Å
234	L	92.6	Very high	92.5	Very high	118 Å²	118	92.8 Å²	92.8	62%	0.618	44%	0.439	S	S	*	.	H	α-helix	trans	-65.4	-41	179.6	-171.7	149.8	0	0	0	112.5	L230 V231 R232	L230-L234 WeakPolarHBondContact O-CB 3.48Å; L230-L234 PolarHBondContact O-N 3.09Å; V231-L234 PolarHBondContact O-N 3.17Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 2.92Å
235	F	93.9	Very high	92.9	Very high	104 Å²	104	97.5 Å²	97.5	46%	0.456	45%	0.45	S	S	.	.	H	α-helix	trans	-85	-6.5	176.7	-72.6	-69.6	0	0	0	114	V231 R232 W238 T239	V231-F235 HydrophobicContact CG1-CD2 3.56Å; V231-F235 HydrophobicContact CG1-CE2 3.6Å; V231-F235 VanDerWaalsContact O-CD2 3.22Å; V231-F235 WeakPolarHBondContact O-CD2 3.26Å; V231-F235 PolarHBondContact O-N 3.04Å; R232-F235 CarbonylContact O-C 3.52Å; R232-F235 PolarHBondContact O-N 3.38Å; F235-W238 PolarHBondContact O-N 3.45Å; F235-T239 WeakPolarHBondContact O-CG2 3.36Å; F235-T239 PolarHBondContact O-N 2.88Å; F235-T239 PolarHBondContact O-OG1 3.45Å
236	F	94.9	Very high	93.3	Very high	128 Å²	128	95.7 Å²	95.7	56%	0.561	44%	0.436	S	S	*	.	H	α-helix	trans	-60.8	-46.9	-175.7	179.3	-103.3	0	0	0	113.2	R232 I233 W238 T239 C240	R232-F236 WeakPolarHBondContact O-CA 3.42Å; R232-F236 VanDerWaalsContact O-CB 3.25Å; R232-F236 WeakPolarHBondContact O-CB 2.81Å; R232-F236 PolarHBondContact O-N 2.99Å; I233-F236 WeakPolarHBondContact O-CB 3.35Å; I233-F236 PolarHBondContact O-N 3.14Å; F236-W238 VanDerWaalsContact C-N 3.3Å; F236-W238 PolarHBondContact O-N 2.8Å; F236-T239 WeakPolarHBondContact CA-OG1 3.33Å; F236-T239 PolarHBondContact O-N 3.33Å; F236-T239 PolarHBondContact O-OG1 3.05Å; F236-C240 VanDerWaalsContact CE1-SG 3.55Å; F236-C240 WeakPolarHBondContact CE2-SG 3Å; F236-C240 WeakPolarHBondContact CZ-SG 3.39Å; F236-C240 WeakPolarHBondContact O-CB 3.19Å; F236-C240 PolarHBondContact O-N 3.47Å; F236-C240 PolarHBondContact O-SG 2.91Å
237	P	95.3	Very high	93.7	Very high	87 Å²	87	91 Å²	91	57%	0.565	42%	0.417	S	S	*	.	H	α-helix	trans	-59.8	-41.5	178.4	-23.6	34.2	0	0	0	112.5	I233 Y241	I233-P237 WeakPolarHBondContact O-CD 3.49Å; P237-Y241 WeakPolarHBondContact O-CB 3.46Å; P237-Y241 PolarHBondContact O-N 3.31Å
238	W	95	Very high	94.2	Very high	151 Å²	151	91.8 Å²	91.8	57%	0.572	43%	0.428	S	S	*	.	H	α-helix	trans	-67.1	-46.4	178.9	173.9	-112.6	0	0	0	112.5	F235 F236 C240 Y241 I242	F235-W238 PolarHBondContact O-N 3.45Å; F236-W238 VanDerWaalsContact C-N 3.3Å; F236-W238 PolarHBondContact O-N 2.8Å; W238-C240 VanDerWaalsContact C-N 3.33Å; W238-C240 PolarHBondContact O-N 3.34Å; W238-Y241 HydrophobicContact CE3-CD1 4.04Å; W238-Y241 AromaticContact CZ3-CD1 3.8Å; W238-Y241 HydrophobicContact CZ3-CD1 3.8Å; W238-Y241 HydrophobicContact CZ3-CE1 4.08Å; W238-Y241 WeakPolarHBondContact O-CB 3.24Å; W238-Y241 PolarHBondContact O-N 3.21Å; W238-I242 HydrophobicContact CD2-CD1 4.18Å; W238-I242 HydrophobicContact CD2-CG1 4.43Å; W238-I242 VanDerWaalsContact CE2-CD1 3.43Å; W238-I242 HydrophobicContact CG-CD1 4.43Å; W238-I242 HydrophobicContact CZ2-CD1 3.73Å; W238-I242 HydrophobicContact CZ2-CG1 4.11Å; W238-I242 PolarHBondContact O-N 3.35Å
239	T	92.5	Very high	94.2	Very high	71 Å²	71	93.2 Å²	93.2	44%	0.436	44%	0.438	S	S	.	.	H	α-helix	trans	-64.9	-38	177.2	51.1	0	0	0	0	111.9	F235 F236 I242 W243	F235-T239 WeakPolarHBondContact O-CG2 3.36Å; F235-T239 PolarHBondContact O-N 2.88Å; F235-T239 PolarHBondContact O-OG1 3.45Å; F236-T239 WeakPolarHBondContact CA-OG1 3.33Å; F236-T239 PolarHBondContact O-N 3.33Å; F236-T239 PolarHBondContact O-OG1 3.05Å; T239-I242 PolarHBondContact O-N 2.98Å; T239-W243 WeakPolarHBondContact O-CB 3.41Å; T239-W243 PolarHBondContact O-N 3.37Å
240	C	95.2	Very high	94.4	Very high	38 Å²	38	93 Å²	93	26%	0.257	43%	0.434	S	S	.	.	H	α-helix	trans	-61	-44.7	171.6	-72	0	0	0	0	111.7	F236 W238 W243 L244	F236-C240 VanDerWaalsContact CE1-SG 3.55Å; F236-C240 WeakPolarHBondContact CE2-SG 3Å; F236-C240 WeakPolarHBondContact CZ-SG 3.39Å; F236-C240 WeakPolarHBondContact O-CB 3.19Å; F236-C240 PolarHBondContact O-N 3.47Å; F236-C240 PolarHBondContact O-SG 2.91Å; W238-C240 VanDerWaalsContact C-N 3.33Å; W238-C240 PolarHBondContact O-N 3.34Å; C240-W243 PolarHBondContact O-N 3.1Å; C240-L244 WeakPolarHBondContact O-CB 3.38Å; C240-L244 VanDerWaalsContact O-CG 3.25Å; C240-L244 WeakPolarHBondContact O-CG 3.47Å; C240-L244 PolarHBondContact O-N 2.95Å
241	Y	96.1	Very high	94.5	Very high	133 Å²	133	93 Å²	93	52%	0.522	44%	0.436	S	S	.	.	H	α-helix	trans	-60.2	-47.9	176.5	170.1	-104.9	0	0	0	112.3	P237 W238 W243 L244 R245	P237-Y241 WeakPolarHBondContact O-CB 3.46Å; P237-Y241 PolarHBondContact O-N 3.31Å; W238-Y241 HydrophobicContact CE3-CD1 4.04Å; W238-Y241 AromaticContact CZ3-CD1 3.8Å; W238-Y241 HydrophobicContact CZ3-CD1 3.8Å; W238-Y241 HydrophobicContact CZ3-CE1 4.08Å; W238-Y241 WeakPolarHBondContact O-CB 3.24Å; W238-Y241 PolarHBondContact O-N 3.21Å; Y241-W243 VanDerWaalsContact C-N 3.29Å; Y241-W243 PolarHBondContact O-N 3.21Å; Y241-L244 PolarHBondContact O-N 2.8Å; Y241-R245 WeakPolarHBondContact O-CB 3.34Å; Y241-R245 PolarHBondContact O-N 3.2Å
242	I	96	Very high	94.6	Very high	71 Å²	71	94.3 Å²	94.3	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-57.4	-46.2	176	-70	170.8	0	0	0	110.5	W238 T239 R245 W246	W238-I242 HydrophobicContact CD2-CD1 4.18Å; W238-I242 HydrophobicContact CD2-CG1 4.43Å; W238-I242 VanDerWaalsContact CE2-CD1 3.43Å; W238-I242 HydrophobicContact CG-CD1 4.43Å; W238-I242 HydrophobicContact CZ2-CD1 3.73Å; W238-I242 HydrophobicContact CZ2-CG1 4.11Å; W238-I242 PolarHBondContact O-N 3.35Å; T239-I242 PolarHBondContact O-N 2.98Å; I242-R245 PolarHBondContact O-N 2.93Å; I242-W246 WeakPolarHBondContact O-CB 3.22Å; I242-W246 PolarHBondContact O-N 2.98Å
243	W	95.3	Very high	94.7	Very high	143 Å²	143	90.9 Å²	90.9	54%	0.542	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-44	-179.6	-178.4	80.2	0	0	0	112.2	T239 C240 Y241 R245 W246 M247	T239-W243 WeakPolarHBondContact O-CB 3.41Å; T239-W243 PolarHBondContact O-N 3.37Å; C240-W243 PolarHBondContact O-N 3.1Å; Y241-W243 VanDerWaalsContact C-N 3.29Å; Y241-W243 PolarHBondContact O-N 3.21Å; W243-R245 PolarHBondContact O-N 3.42Å; W243-W246 PolarHBondContact O-N 3.3Å; W243-M247 HydrophobicContact CD2-CG 3.84Å; W243-M247 HydrophobicContact CE3-CG 4.15Å; W243-M247 HydrophobicContact CG-CG 4.45Å; W243-M247 HydrophobicContact CH2-CE 4.04Å; W243-M247 HydrophobicContact CH2-CG 3.98Å; W243-M247 HydrophobicContact CH2-SD 4.45Å; W243-M247 HydrophobicContact CZ2-CE 3.85Å; W243-M247 HydrophobicContact CZ2-CG 3.64Å; W243-M247 HydrophobicContact CZ2-SD 3.82Å; W243-M247 HydrophobicContact CZ3-CG 4.21Å; W243-M247 WeakPolarHBondContact O-CB 3.49Å; W243-M247 VanDerWaalsContact O-CG 3.27Å; W243-M247 WeakPolarHBondContact O-CG 3.42Å; W243-M247 PolarHBondContact O-N 3.39Å
244	L	96.4	Very high	94.7	Very high	102 Å²	102	88.1 Å²	88.1	53%	0.534	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.3	-75.2	172.4	0	0	0	111.6	C240 Y241 W246 M247 L248	C240-L244 WeakPolarHBondContact O-CB 3.38Å; C240-L244 VanDerWaalsContact O-CG 3.25Å; C240-L244 WeakPolarHBondContact O-CG 3.47Å; C240-L244 PolarHBondContact O-N 2.95Å; Y241-L244 PolarHBondContact O-N 2.8Å; L244-W246 VanDerWaalsContact C-N 3.33Å; L244-W246 PolarHBondContact O-N 3.5Å; L244-M247 PolarHBondContact O-N 3.42Å; L244-L248 WeakPolarHBondContact O-CB 3.38Å; L244-L248 PolarHBondContact O-N 3.48Å
245	R	97.1	Very high	94.6	Very high	142 Å²	142	91.8 Å²	91.8	54%	0.536	42%	0.423	S	S	.	.	H	α-helix	trans	-61.8	-42.9	175.8	-169.5	-164.6	68.8	78.2	-0.4	111.5	Y241 I242 W243 S249	Y241-R245 WeakPolarHBondContact O-CB 3.34Å; Y241-R245 PolarHBondContact O-N 3.2Å; I242-R245 PolarHBondContact O-N 2.93Å; W243-R245 PolarHBondContact O-N 3.42Å; R245-S249 WeakPolarHBondContact O-CB 3.5Å; R245-S249 PolarHBondContact O-N 3.47Å
246	W	95.3	Very high	94.5	Very high	77 Å²	77	91.8 Å²	91.8	29%	0.292	43%	0.427	S	S	.	.	H	α-helix	trans	-64	-45	176.2	179	88.6	0	0	0	111.4	I242 W243 L244 S249 W250 F268	I242-W246 WeakPolarHBondContact O-CB 3.22Å; I242-W246 PolarHBondContact O-N 2.98Å; W243-W246 PolarHBondContact O-N 3.3Å; L244-W246 VanDerWaalsContact C-N 3.33Å; L244-W246 PolarHBondContact O-N 3.5Å; W246-S249 WeakPolarHBondContact O-CB 3.44Å; W246-S249 PolarHBondContact O-N 3.2Å; W246-W250 AromaticContact CD2-CD1 3.72Å; W246-W250 AromaticContact CD2-NE1 3.89Å; W246-W250 AromaticContact CE2-CD1 3.42Å; W246-W250 VanDerWaalsContact CE2-CD1 3.42Å; W246-W250 AromaticContact CE2-CE2 4Å; W246-W250 AromaticContact CE2-NE1 3.08Å; W246-W250 HydrophobicContact CH2-CD2 4.36Å; W246-W250 AromaticContact CH2-CE2 3.94Å; W246-W250 HydrophobicContact CH2-CG 4.42Å; W246-W250 HydrophobicContact CH2-CZ2 4.39Å; W246-W250 AromaticContact CH2-NE1 3.77Å; W246-W250 AromaticContact CZ2-CD1 3.64Å; W246-W250 HydrophobicContact CZ2-CD2 4.28Å; W246-W250 AromaticContact CZ2-CE2 3.47Å; W246-W250 VanDerWaalsContact CZ2-CE2 3.47Å; W246-W250 HydrophobicContact CZ2-CG 4.36Å; W246-W250 AromaticContact CZ2-CZ2 3.88Å; W246-W250 HydrophobicContact CZ2-CZ2 3.88Å; W246-W250 AromaticContact CZ2-NE1 3.04Å; W246-W250 AromaticContact NE1-CD1 3.73Å; W246-W250 AromaticContact NE1-NE1 3.28Å; W246-W250 VanDerWaalsContact O-CD1 3.3Å; W246-W250 PolarHBondContact O-N 3.42Å; W246-F268 HydrophobicContact CH2-CD1 4.03Å; W246-F268 HydrophobicContact CH2-CD2 4.3Å; W246-F268 AromaticContact CH2-CE1 3.53Å; W246-F268 HydrophobicContact CH2-CE1 3.53Å; W246-F268 AromaticContact CH2-CE2 3.82Å; W246-F268 HydrophobicContact CH2-CE2 3.82Å; W246-F268 HydrophobicContact CH2-CG 4.4Å; W246-F268 AromaticContact CH2-CZ 3.41Å; W246-F268 HydrophobicContact CH2-CZ 3.41Å; W246-F268 VanDerWaalsContact CH2-CZ 3.41Å; W246-F268 HydrophobicContact CZ2-CD1 4.17Å; W246-F268 HydrophobicContact CZ2-CD2 4.12Å; W246-F268 HydrophobicContact CZ2-CE1 4.12Å; W246-F268 HydrophobicContact CZ2-CE2 4.06Å; W246-F268 HydrophobicContact CZ2-CG 4.18Å; W246-F268 HydrophobicContact CZ2-CZ 4.07Å; W246-F268 HydrophobicContact CZ3-CZ 4.32Å
247	M	95	Very high	94.5	Very high	71 Å²	71	89.6 Å²	89.6	35%	0.35	42%	0.42	S	S	.	.	H	α-helix	trans	-60.2	-46.5	175.8	-75.4	-69.5	-77.6	0	0	111.9	W243 L244 S249 W250 V251	W243-M247 HydrophobicContact CD2-CG 3.84Å; W243-M247 HydrophobicContact CE3-CG 4.15Å; W243-M247 HydrophobicContact CG-CG 4.45Å; W243-M247 HydrophobicContact CH2-CE 4.04Å; W243-M247 HydrophobicContact CH2-CG 3.98Å; W243-M247 HydrophobicContact CH2-SD 4.45Å; W243-M247 HydrophobicContact CZ2-CE 3.85Å; W243-M247 HydrophobicContact CZ2-CG 3.64Å; W243-M247 HydrophobicContact CZ2-SD 3.82Å; W243-M247 HydrophobicContact CZ3-CG 4.21Å; W243-M247 WeakPolarHBondContact O-CB 3.49Å; W243-M247 VanDerWaalsContact O-CG 3.27Å; W243-M247 WeakPolarHBondContact O-CG 3.42Å; W243-M247 PolarHBondContact O-N 3.39Å; L244-M247 PolarHBondContact O-N 3.42Å; M247-S249 VanDerWaalsContact C-N 3.32Å; M247-S249 PolarHBondContact O-N 2.85Å; M247-W250 WeakPolarHBondContact O-CB 3.42Å; M247-W250 PolarHBondContact O-N 3.22Å; M247-W250 VanDerWaalsContact O-N 3.11Å; M247-V251 WeakPolarHBondContact O-CG2 2.67Å; M247-V251 PolarHBondContact O-N 3.34Å
248	L	96.1	Very high	94.3	Very high	114 Å²	114	95.7 Å²	95.7	60%	0.597	43%	0.432	S	S	*	.	H	α-helix	trans	-61	-43.3	177.9	-175	64.1	0	0	0	111.3	L244 W250 V251 V252	L244-L248 WeakPolarHBondContact O-CB 3.38Å; L244-L248 PolarHBondContact O-N 3.48Å; L248-W250 VanDerWaalsContact C-N 3.31Å; L248-W250 PolarHBondContact O-N 2.95Å; L248-V251 PolarHBondContact O-N 2.97Å; L248-V252 WeakPolarHBondContact O-CG2 3.34Å; L248-V252 PolarHBondContact O-N 3.41Å
249	S	93.5	Very high	94	Very high	38 Å²	38	95.6 Å²	95.6	27%	0.266	43%	0.432	S	S	.	.	H	α-helix	trans	-58.6	-42.1	173.6	171.9	0	0	0	0	111.9	R245 W246 M247 V252 K253	R245-S249 WeakPolarHBondContact O-CB 3.5Å; R245-S249 PolarHBondContact O-N 3.47Å; W246-S249 WeakPolarHBondContact O-CB 3.44Å; W246-S249 PolarHBondContact O-N 3.2Å; M247-S249 VanDerWaalsContact C-N 3.32Å; M247-S249 PolarHBondContact O-N 2.85Å; S249-V252 PolarHBondContact O-N 2.85Å; S249-K253 WeakPolarHBondContact O-CB 3.39Å; S249-K253 VanDerWaalsContact O-CG 3.28Å; S249-K253 WeakPolarHBondContact O-CG 3.35Å; S249-K253 PolarHBondContact O-N 3.32Å
250	W	94.3	Very high	93.9	Very high	46 Å²	46	100.6 Å²	100.6	17%	0.174	45%	0.45	C	S	.	.	H	α-helix	trans	-64.2	-43.9	176.3	-93	74.7	0	0	0	113	W246 M247 L248 V252 K253 Y254 Y261 A265 F268 I269	W246-W250 AromaticContact CD2-CD1 3.72Å; W246-W250 AromaticContact CD2-NE1 3.89Å; W246-W250 AromaticContact CE2-CD1 3.42Å; W246-W250 VanDerWaalsContact CE2-CD1 3.42Å; W246-W250 AromaticContact CE2-CE2 4Å; W246-W250 AromaticContact CE2-NE1 3.08Å; W246-W250 HydrophobicContact CH2-CD2 4.36Å; W246-W250 AromaticContact CH2-CE2 3.94Å; W246-W250 HydrophobicContact CH2-CG 4.42Å; W246-W250 HydrophobicContact CH2-CZ2 4.39Å; W246-W250 AromaticContact CH2-NE1 3.77Å; W246-W250 AromaticContact CZ2-CD1 3.64Å; W246-W250 HydrophobicContact CZ2-CD2 4.28Å; W246-W250 AromaticContact CZ2-CE2 3.47Å; W246-W250 VanDerWaalsContact CZ2-CE2 3.47Å; W246-W250 HydrophobicContact CZ2-CG 4.36Å; W246-W250 AromaticContact CZ2-CZ2 3.88Å; W246-W250 HydrophobicContact CZ2-CZ2 3.88Å; W246-W250 AromaticContact CZ2-NE1 3.04Å; W246-W250 AromaticContact NE1-CD1 3.73Å; W246-W250 AromaticContact NE1-NE1 3.28Å; W246-W250 VanDerWaalsContact O-CD1 3.3Å; W246-W250 PolarHBondContact O-N 3.42Å; M247-W250 WeakPolarHBondContact O-CB 3.42Å; M247-W250 PolarHBondContact O-N 3.22Å; M247-W250 VanDerWaalsContact O-N 3.11Å; L248-W250 VanDerWaalsContact C-N 3.31Å; L248-W250 PolarHBondContact O-N 2.95Å; W250-V252 VanDerWaalsContact C-N 3.35Å; W250-K253 PolarHBondContact O-N 2.92Å; W250-Y254 HydrophobicContact CB-CD2 4.28Å; W250-Y254 AromaticContact CD2-CD2 3.53Å; W250-Y254 HydrophobicContact CD2-CD2 3.53Å; W250-Y254 AromaticContact CD2-CE2 3.48Å; W250-Y254 HydrophobicContact CD2-CE2 3.48Å; W250-Y254 VanDerWaalsContact CD2-CE2 3.48Å; W250-Y254 AromaticContact CE2-CE2 3.74Å; W250-Y254 AromaticContact CE3-CD2 3.19Å; W250-Y254 HydrophobicContact CE3-CD2 3.19Å; W250-Y254 AromaticContact CE3-CE2 3.5Å; W250-Y254 HydrophobicContact CE3-CE2 3.5Å; W250-Y254 VanDerWaalsContact CE3-CE2 3.5Å; W250-Y254 HydrophobicContact CE3-CG 4.22Å; W250-Y254 HydrophobicContact CG-CD2 4.03Å; W250-Y254 HydrophobicContact CG-CE2 4.04Å; W250-Y254 HydrophobicContact CH2-CD2 4.43Å; W250-Y254 HydrophobicContact CH2-CE2 4.07Å; W250-Y254 HydrophobicContact CZ2-CE2 4.07Å; W250-Y254 AromaticContact CZ3-CD2 3.68Å; W250-Y254 HydrophobicContact CZ3-CD2 3.68Å; W250-Y254 AromaticContact CZ3-CE2 3.78Å; W250-Y254 HydrophobicContact CZ3-CE2 3.78Å; W250-Y254 HydrophobicContact CZ3-CG 4.49Å; W250-Y254 WeakPolarHBondContact O-CD2 3.49Å; W250-Y254 PolarHBondContact O-N 3.46Å; W250-Y261 HydrophobicContact CZ3-CD1 4.41Å; W250-Y261 HydrophobicContact CZ3-CE1 4.25Å; W250-A265 HydrophobicContact CH2-CB 3.3Å; W250-A265 HydrophobicContact CZ2-CB 3.48Å; W250-A265 VanDerWaalsContact CZ2-CB 3.48Å; W250-A265 HydrophobicContact CZ3-CB 4.18Å; W250-F268 AromaticContact CH2-CD1 3.81Å; W250-F268 HydrophobicContact CH2-CD1 3.81Å; W250-F268 HydrophobicContact CZ2-CB 4.27Å; W250-F268 AromaticContact CZ2-CD1 3.84Å; W250-F268 HydrophobicContact CZ2-CD1 3.84Å; W250-F268 HydrophobicContact CZ2-CG 4.26Å; W250-I269 HydrophobicContact CH2-CD1 4.04Å; W250-I269 HydrophobicContact CH2-CG1 4.02Å; W250-I269 HydrophobicContact CZ3-CD1 4.03Å; W250-I269 HydrophobicContact CZ3-CG1 4.25Å
251	V	93.9	Very high	93.7	Very high	55 Å²	55	103.8 Å²	103.8	33%	0.333	46%	0.458	S	S	.	.	I	π-helix	trans	-59.6	-47.8	176.8	172.1	0	0	0	0	109.9	M247 L248 W255 I256	M247-V251 WeakPolarHBondContact O-CG2 2.67Å; M247-V251 PolarHBondContact O-N 3.34Å; L248-V251 PolarHBondContact O-N 2.97Å; V251-W255 HydrophobicContact CG1-CE3 3.62Å; V251-W255 HydrophobicContact CG1-CZ3 4.23Å; V251-W255 WeakPolarHBondContact O-CA 3.42Å; V251-W255 VanDerWaalsContact O-CB 3.25Å; V251-W255 WeakPolarHBondContact O-CB 3.3Å; V251-W255 PolarHBondContact O-N 3.28Å; V251-W255 VanDerWaalsContact O-N 3.09Å; V251-I256 HydrophobicContact CG1-CD1 4.42Å; V251-I256 HydrophobicContact CG1-CG1 4.47Å; V251-I256 PolarHBondContact O-N 3.49Å
252	V	94.3	Very high	93.5	Very high	61 Å²	61	100.7 Å²	100.7	37%	0.37	45%	0.45	S	S	.	.	I	π-helix	trans	-62.1	-53.2	177.5	173.6	0	0	0	0	110.9	L248 S249 W250 I256 L257	L248-V252 WeakPolarHBondContact O-CG2 3.34Å; L248-V252 PolarHBondContact O-N 3.41Å; S249-V252 PolarHBondContact O-N 2.85Å; W250-V252 VanDerWaalsContact C-N 3.35Å; V252-I256 HydrophobicContact CG2-CD1 4.38Å; V252-L257 HydrophobicContact CG1-CD1 3.73Å; V252-L257 WeakPolarHBondContact O-CB 3.4Å; V252-L257 WeakPolarHBondContact O-CD1 3.26Å; V252-L257 PolarHBondContact O-N 3.15Å
253	K	93.1	Very high	93.3	Very high	72 Å²	72	103.1 Å²	103.1	31%	0.313	46%	0.46	S	S	.	.	I	π-helix	trans	-65.6	-49.2	-173.4	-73.8	-178.4	171.8	-161.2	0	113.9	S249 W250 L257 R259 D262	S249-K253 WeakPolarHBondContact O-CB 3.39Å; S249-K253 VanDerWaalsContact O-CG 3.28Å; S249-K253 WeakPolarHBondContact O-CG 3.35Å; S249-K253 PolarHBondContact O-N 3.32Å; W250-K253 PolarHBondContact O-N 2.92Å; K253-L257 WeakPolarHBondContact O-CB 3.44Å; K253-R259 WeakPolarHBondContact O-CB 3.46Å; K253-R259 PolarHBondContact O-N 3.11Å; K253-R259 VanDerWaalsContact O-N 3.15Å; K253-D262 IonicContact NZ-OD2 2.84Å; K253-D262 PolarHBondContact NZ-OD2 3.28Å
254	Y	92.9	Very high	93.2	Very high	28 Å²	28	104 Å²	104	11%	0.11	47%	0.47	C	S	.	.	I	π-helix	trans	-104.8	-27.3	-167.1	-55.9	-61.3	0	0	0	113.5	W250 R258 Y261 D262 A265	W250-Y254 HydrophobicContact CB-CD2 4.28Å; W250-Y254 AromaticContact CD2-CD2 3.53Å; W250-Y254 HydrophobicContact CD2-CD2 3.53Å; W250-Y254 AromaticContact CD2-CE2 3.48Å; W250-Y254 HydrophobicContact CD2-CE2 3.48Å; W250-Y254 VanDerWaalsContact CD2-CE2 3.48Å; W250-Y254 AromaticContact CE2-CE2 3.74Å; W250-Y254 AromaticContact CE3-CD2 3.19Å; W250-Y254 HydrophobicContact CE3-CD2 3.19Å; W250-Y254 AromaticContact CE3-CE2 3.5Å; W250-Y254 HydrophobicContact CE3-CE2 3.5Å; W250-Y254 VanDerWaalsContact CE3-CE2 3.5Å; W250-Y254 HydrophobicContact CE3-CG 4.22Å; W250-Y254 HydrophobicContact CG-CD2 4.03Å; W250-Y254 HydrophobicContact CG-CE2 4.04Å; W250-Y254 HydrophobicContact CH2-CD2 4.43Å; W250-Y254 HydrophobicContact CH2-CE2 4.07Å; W250-Y254 HydrophobicContact CZ2-CE2 4.07Å; W250-Y254 AromaticContact CZ3-CD2 3.68Å; W250-Y254 HydrophobicContact CZ3-CD2 3.68Å; W250-Y254 AromaticContact CZ3-CE2 3.78Å; W250-Y254 HydrophobicContact CZ3-CE2 3.78Å; W250-Y254 HydrophobicContact CZ3-CG 4.49Å; W250-Y254 WeakPolarHBondContact O-CD2 3.49Å; W250-Y254 PolarHBondContact O-N 3.46Å; Y254-R258 WeakPolarHBondContact O-CA 3.29Å; Y254-Y261 AromaticContact CD1-CD1 3.57Å; Y254-Y261 HydrophobicContact CD1-CD1 3.57Å; Y254-Y261 AromaticContact CD1-CE1 3.9Å; Y254-Y261 HydrophobicContact CD1-CE1 3.9Å; Y254-Y261 HydrophobicContact CD2-CD1 4.48Å; Y254-Y261 AromaticContact CE1-CD1 3.79Å; Y254-Y261 HydrophobicContact CE1-CD1 3.79Å; Y254-Y261 AromaticContact CG-CD1 3.95Å; Y254-Y261 HydrophobicContact CG-CD1 3.95Å; Y254-Y261 AromaticContact CG-CE1 3.89Å; Y254-Y261 HydrophobicContact CG-CE1 3.89Å; Y254-D262 WeakPolarHBondContact OH-CB 3.42Å; Y254-D262 VanDerWaalsContact OH-CG 3.3Å; Y254-D262 PolarHBondContact OH-N 3.43Å; Y254-D262 PolarHBondContact OH-OD2 3.1Å; Y254-D262 VanDerWaalsContact OH-OD2 3.08Å; Y254-A265 HydrophobicContact CE1-CB 4.33Å; Y254-A265 HydrophobicContact CE2-CB 3.95Å; Y254-A265 WeakPolarHBondContact OH-CB 3.39Å
255	W	90.9	Very high	93	Very high	196 Å²	196	99.2 Å²	99.2	74%	0.742	45%	0.445	S	S	*	.	I	π-helix	trans	-94.7	-48.5	-179	-173.1	66.9	0	0	0	112.1	V251	V251-W255 HydrophobicContact CG1-CE3 3.62Å; V251-W255 HydrophobicContact CG1-CZ3 4.23Å; V251-W255 WeakPolarHBondContact O-CA 3.42Å; V251-W255 VanDerWaalsContact O-CB 3.25Å; V251-W255 WeakPolarHBondContact O-CB 3.3Å; V251-W255 PolarHBondContact O-N 3.28Å; V251-W255 VanDerWaalsContact O-N 3.09Å
256	I	92.4	Very high	92.9	Very high	104 Å²	104	96.5 Å²	96.5	53%	0.533	44%	0.435	S	S	.	.	I	π-helix	trans	-79.3	-56.9	178.6	-56.7	178.6	0	0	0	110.6	V251 V252 R258	V251-I256 HydrophobicContact CG1-CD1 4.42Å; V251-I256 HydrophobicContact CG1-CG1 4.47Å; V251-I256 PolarHBondContact O-N 3.49Å; V252-I256 HydrophobicContact CG2-CD1 4.38Å; I256-R258 VanDerWaalsContact C-N 3.29Å; I256-R258 PolarHBondContact O-N 3.28Å
257	L	94.2	Very high	92.9	Very high	81 Å²	81	94.6 Å²	94.6	42%	0.424	43%	0.43	S	S	.	.	S	Bend	trans	-79.3	-11.2	-176.2	-82.9	77.2	0	0	0	113.5	V252 K253 R259	V252-L257 HydrophobicContact CG1-CD1 3.73Å; V252-L257 WeakPolarHBondContact O-CB 3.4Å; V252-L257 WeakPolarHBondContact O-CD1 3.26Å; V252-L257 PolarHBondContact O-N 3.15Å; K253-L257 WeakPolarHBondContact O-CB 3.44Å; L257-R259 HydrophobicContact CB-CG 3.97Å; L257-R259 VanDerWaalsContact CD2-NE 3.35Å; L257-R259 PolarHBondContact O-N 3.09Å
258	R	90.4	Very high	92.9	Very high	216 Å²	216	94 Å²	94	82%	0.815	43%	0.426	S	S	*	.			trans	47	36.7	-177.8	-61.7	-175.8	177.5	-177.8	-0.3	113.5	Y254 I256	Y254-R258 WeakPolarHBondContact O-CA 3.29Å; I256-R258 VanDerWaalsContact C-N 3.29Å; I256-R258 PolarHBondContact O-N 3.28Å
259	R	88.9	Confident	92.8	Very high	148 Å²	148	89.7 Å²	89.7	56%	0.558	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-65.2	152.6	174.8	-64.3	-173.7	179.7	-170.7	0.4	110	K253 L257	K253-R259 WeakPolarHBondContact O-CB 3.46Å; K253-R259 PolarHBondContact O-N 3.11Å; K253-R259 VanDerWaalsContact O-N 3.15Å; L257-R259 HydrophobicContact CB-CG 3.97Å; L257-R259 VanDerWaalsContact CD2-NE 3.35Å; L257-R259 PolarHBondContact O-N 3.09Å
260	E	89.9	Confident	92.9	Very high	177 Å²	177	87.9 Å²	87.9	83%	0.827	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-60.7	151	167.8	-62.8	-174.2	168.4	0	0	110.4	D262	E260-D262 PolarHBondContact O-N 3.22Å
261	Y	91.9	Very high	92.9	Very high	104 Å²	104	87.5 Å²	87.5	41%	0.408	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-68	119.8	-177.6	-65.4	-64.8	0	0	0	111.5	W250 Y254 A265 R266 I269	W250-Y261 HydrophobicContact CZ3-CD1 4.41Å; W250-Y261 HydrophobicContact CZ3-CE1 4.25Å; Y254-Y261 AromaticContact CD1-CD1 3.57Å; Y254-Y261 HydrophobicContact CD1-CD1 3.57Å; Y254-Y261 AromaticContact CD1-CE1 3.9Å; Y254-Y261 HydrophobicContact CD1-CE1 3.9Å; Y254-Y261 HydrophobicContact CD2-CD1 4.48Å; Y254-Y261 AromaticContact CE1-CD1 3.79Å; Y254-Y261 HydrophobicContact CE1-CD1 3.79Å; Y254-Y261 AromaticContact CG-CD1 3.95Å; Y254-Y261 HydrophobicContact CG-CD1 3.95Å; Y254-Y261 AromaticContact CG-CE1 3.89Å; Y254-Y261 HydrophobicContact CG-CE1 3.89Å; Y261-A265 HydrophobicContact CD1-CB 4.21Å; Y261-R266 PolarHBondContact O-NE 2.96Å; Y261-I269 HydrophobicContact CD1-CD1 3.68Å; Y261-I269 HydrophobicContact CD2-CD1 4.24Å; Y261-I269 HydrophobicContact CE1-CD1 3.59Å; Y261-I269 HydrophobicContact CE2-CD1 4.14Å; Y261-I269 HydrophobicContact CG-CD1 4.02Å
262	D	92.8	Very high	92.9	Very high	69 Å²	69	93.8 Å²	93.8	37%	0.369	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-53.9	159.1	169	-61.2	-25.6	0	0	0	110.1	K253 Y254 E260 E264 A265 R266	K253-D262 IonicContact NZ-OD2 2.84Å; K253-D262 PolarHBondContact NZ-OD2 3.28Å; Y254-D262 WeakPolarHBondContact OH-CB 3.42Å; Y254-D262 VanDerWaalsContact OH-CG 3.3Å; Y254-D262 PolarHBondContact OH-N 3.43Å; Y254-D262 PolarHBondContact OH-OD2 3.1Å; Y254-D262 VanDerWaalsContact OH-OD2 3.08Å; E260-D262 PolarHBondContact O-N 3.22Å; D262-E264 VanDerWaalsContact C-N 3.33Å; D262-E264 PolarHBondContact O-N 2.95Å; D262-A265 HydrophobicContact CB-CB 4.43Å; D262-A265 WeakPolarHBondContact O-CB 3.43Å; D262-A265 PolarHBondContact O-N 3.11Å; D262-R266 WeakPolarHBondContact O-CG 3.43Å; D262-R266 PolarHBondContact O-N 3.24Å
263	E	91.9	Very high	92.9	Very high	122 Å²	122	93.6 Å²	93.6	57%	0.57	40%	0.399	S	S	*	.	H	α-helix	trans	-54.8	-46	179	-171.1	170.5	-179.7	0	0	113.2	A265 R266 I267	E263-A265 VanDerWaalsContact C-N 3.27Å; E263-A265 PolarHBondContact O-N 3.42Å; E263-R266 WeakPolarHBondContact O-CB 3.5Å; E263-R266 PolarHBondContact O-N 3.08Å; E263-I267 HydrophobicContact CG-CD1 4.15Å; E263-I267 WeakPolarHBondContact O-CG1 3.27Å; E263-I267 PolarHBondContact O-N 3.44Å
264	E	92.2	Very high	92.9	Very high	162 Å²	162	91.8 Å²	91.8	76%	0.757	39%	0.393	S	S	*	.	H	α-helix	trans	-59.5	-38.3	176	-63	-179.2	175.2	0	0	112.3	D262 I267 F268	D262-E264 VanDerWaalsContact C-N 3.33Å; D262-E264 PolarHBondContact O-N 2.95Å; E264-I267 PolarHBondContact O-N 3.29Å; E264-F268 WeakPolarHBondContact O-CB 3.34Å; E264-F268 PolarHBondContact O-N 3.27Å
265	A	93.2	Very high	92.8	Very high	1 Å²	1	99.2 Å²	99.2	1%	0.008	43%	0.426	C	S	.	.	H	α-helix	trans	-70.1	-39.5	177.8	0	0	0	0	0	112.2	W250 Y254 Y261 D262 E263 F268 I269	W250-A265 HydrophobicContact CH2-CB 3.3Å; W250-A265 HydrophobicContact CZ2-CB 3.48Å; W250-A265 VanDerWaalsContact CZ2-CB 3.48Å; W250-A265 HydrophobicContact CZ3-CB 4.18Å; Y254-A265 HydrophobicContact CE1-CB 4.33Å; Y254-A265 HydrophobicContact CE2-CB 3.95Å; Y254-A265 WeakPolarHBondContact OH-CB 3.39Å; Y261-A265 HydrophobicContact CD1-CB 4.21Å; D262-A265 HydrophobicContact CB-CB 4.43Å; D262-A265 WeakPolarHBondContact O-CB 3.43Å; D262-A265 PolarHBondContact O-N 3.11Å; E263-A265 VanDerWaalsContact C-N 3.27Å; E263-A265 PolarHBondContact O-N 3.42Å; A265-F268 PolarHBondContact O-N 3.34Å; A265-I269 WeakPolarHBondContact O-CG1 3.23Å; A265-I269 PolarHBondContact O-N 3.24Å
266	R	94.5	Very high	92.8	Very high	85 Å²	85	91.6 Å²	91.6	32%	0.321	40%	0.399	S	S	.	.	H	α-helix	trans	-60.9	-45.4	173.4	-71.1	-178.8	-78	159.9	2	111.1	Y261 D262 E263 T270 W298	Y261-R266 PolarHBondContact O-NE 2.96Å; D262-R266 WeakPolarHBondContact O-CG 3.43Å; D262-R266 PolarHBondContact O-N 3.24Å; E263-R266 WeakPolarHBondContact O-CB 3.5Å; E263-R266 PolarHBondContact O-N 3.08Å; R266-T270 VanDerWaalsContact O-CB 3.24Å; R266-T270 WeakPolarHBondContact O-CB 3.4Å; R266-T270 PolarHBondContact O-N 3.44Å; R266-T270 PolarHBondContact O-OG1 3.21Å; R266-W298 HydrophobicContact CB-CD2 3.93Å; R266-W298 HydrophobicContact CB-CE3 3.7Å; R266-W298 HydrophobicContact CB-CG 4.47Å; R266-W298 HydrophobicContact CB-CH2 4.48Å; R266-W298 HydrophobicContact CB-CZ3 3.98Å; R266-W298 VanDerWaalsContact CD-CZ2 3.44Å; R266-W298 HydrophobicContact CG-CD2 3.72Å; R266-W298 HydrophobicContact CG-CE3 4Å; R266-W298 HydrophobicContact CG-CG 4.11Å; R266-W298 HydrophobicContact CG-CH2 4.38Å; R266-W298 HydrophobicContact CG-CZ2 4.14Å; R266-W298 HydrophobicContact CG-CZ3 4.31Å
267	I	94.8	Very high	92.6	Very high	37 Å²	37	89.2 Å²	89.2	19%	0.19	39%	0.392	C	S	.	.	H	α-helix	trans	-61.8	-47.8	175.2	-66.8	165	0	0	0	110.2	E263 E264 I269 T270 R271 W281 L293	E263-I267 HydrophobicContact CG-CD1 4.15Å; E263-I267 WeakPolarHBondContact O-CG1 3.27Å; E263-I267 PolarHBondContact O-N 3.44Å; E264-I267 PolarHBondContact O-N 3.29Å; I267-I269 PolarHBondContact O-N 3.25Å; I267-T270 PolarHBondContact O-N 3.04Å; I267-R271 HydrophobicContact CG2-CG 4.27Å; I267-R271 WeakPolarHBondContact O-CB 3.36Å; I267-R271 VanDerWaalsContact O-CG 3.29Å; I267-R271 WeakPolarHBondContact O-CG 3.44Å; I267-R271 PolarHBondContact O-N 2.98Å; I267-W281 HydrophobicContact CG2-CZ2 4.12Å; I267-L293 HydrophobicContact CG1-CD1 4.17Å; I267-L293 HydrophobicContact CG1-CD2 3.93Å
268	F	94.2	Very high	92.3	Very high	57 Å²	57	91.1 Å²	91.1	25%	0.25	40%	0.398	C	S	.	.	H	α-helix	trans	-58.6	-49.2	179.1	177	-97.2	0	0	0	113	W246 W250 E264 A265 T270 R271 R272	W246-F268 HydrophobicContact CH2-CD1 4.03Å; W246-F268 HydrophobicContact CH2-CD2 4.3Å; W246-F268 AromaticContact CH2-CE1 3.53Å; W246-F268 HydrophobicContact CH2-CE1 3.53Å; W246-F268 AromaticContact CH2-CE2 3.82Å; W246-F268 HydrophobicContact CH2-CE2 3.82Å; W246-F268 HydrophobicContact CH2-CG 4.4Å; W246-F268 AromaticContact CH2-CZ 3.41Å; W246-F268 HydrophobicContact CH2-CZ 3.41Å; W246-F268 VanDerWaalsContact CH2-CZ 3.41Å; W246-F268 HydrophobicContact CZ2-CD1 4.17Å; W246-F268 HydrophobicContact CZ2-CD2 4.12Å; W246-F268 HydrophobicContact CZ2-CE1 4.12Å; W246-F268 HydrophobicContact CZ2-CE2 4.06Å; W246-F268 HydrophobicContact CZ2-CG 4.18Å; W246-F268 HydrophobicContact CZ2-CZ 4.07Å; W246-F268 HydrophobicContact CZ3-CZ 4.32Å; W250-F268 AromaticContact CH2-CD1 3.81Å; W250-F268 HydrophobicContact CH2-CD1 3.81Å; W250-F268 HydrophobicContact CZ2-CB 4.27Å; W250-F268 AromaticContact CZ2-CD1 3.84Å; W250-F268 HydrophobicContact CZ2-CD1 3.84Å; W250-F268 HydrophobicContact CZ2-CG 4.26Å; E264-F268 WeakPolarHBondContact O-CB 3.34Å; E264-F268 PolarHBondContact O-N 3.27Å; A265-F268 PolarHBondContact O-N 3.34Å; F268-T270 VanDerWaalsContact C-N 3.35Å; F268-T270 PolarHBondContact O-N 3Å; F268-R271 PolarHBondContact O-N 3.35Å; F268-R272 WeakPolarHBondContact O-CB 3.04Å; F268-R272 PolarHBondContact O-N 2.84Å
269	I	94.6	Very high	92	Very high	24 Å²	24	83.9 Å²	83.9	12%	0.123	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-42.4	179.1	-65.9	161.9	0	0	0	110.5	W250 Y261 A265 I267 R272 R273 W298	W250-I269 HydrophobicContact CH2-CD1 4.04Å; W250-I269 HydrophobicContact CH2-CG1 4.02Å; W250-I269 HydrophobicContact CZ3-CD1 4.03Å; W250-I269 HydrophobicContact CZ3-CG1 4.25Å; Y261-I269 HydrophobicContact CD1-CD1 3.68Å; Y261-I269 HydrophobicContact CD2-CD1 4.24Å; Y261-I269 HydrophobicContact CE1-CD1 3.59Å; Y261-I269 HydrophobicContact CE2-CD1 4.14Å; Y261-I269 HydrophobicContact CG-CD1 4.02Å; A265-I269 WeakPolarHBondContact O-CG1 3.23Å; A265-I269 PolarHBondContact O-N 3.24Å; I267-I269 PolarHBondContact O-N 3.25Å; I269-R272 PolarHBondContact O-N 3.46Å; I269-R273 HydrophobicContact CG2-CG 4.4Å; I269-R273 WeakPolarHBondContact O-CB 3.3Å; I269-R273 WeakPolarHBondContact O-CG 3.36Å; I269-R273 PolarHBondContact O-N 3.33Å; I269-W298 HydrophobicContact CB-CB 4.01Å; I269-W298 HydrophobicContact CD1-CB 4.46Å; I269-W298 HydrophobicContact CG2-CB 3.76Å
270	T	95.4	Very high	92	Very high	0 Å²	0	80.6 Å²	80.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.2	-49.3	179	-59.3	0	0	0	0	111.2	R266 I267 F268 R272 R273 L274 W281 L297	R266-T270 VanDerWaalsContact O-CB 3.24Å; R266-T270 WeakPolarHBondContact O-CB 3.4Å; R266-T270 PolarHBondContact O-N 3.44Å; R266-T270 PolarHBondContact O-OG1 3.21Å; I267-T270 PolarHBondContact O-N 3.04Å; F268-T270 VanDerWaalsContact C-N 3.35Å; F268-T270 PolarHBondContact O-N 3Å; T270-R272 VanDerWaalsContact C-N 3.33Å; T270-R272 PolarHBondContact O-N 2.79Å; T270-R273 PolarHBondContact O-N 3.49Å; T270-L274 HydrophobicContact CG2-CD1 3.89Å; T270-L274 HydrophobicContact CG2-CG 4.47Å; T270-L274 WeakPolarHBondContact O-CG 3.44Å; T270-L274 PolarHBondContact O-N 3.02Å; T270-W281 HydrophobicContact CG2-CH2 4.17Å; T270-W281 HydrophobicContact CG2-CZ3 4.18Å; T270-L297 HydrophobicContact CG2-CB 4Å; T270-L297 HydrophobicContact CG2-CD1 4.07Å
271	R	94.6	Very high	92	Very high	38 Å²	38	72.6 Å²	72.6	14%	0.143	33%	0.334	C	S	.	.	H	α-helix	trans	-56.3	-46.6	174.7	-72.7	-176.6	-59.6	161.8	-3.8	111.8	I267 F268 R273 L274 K275 I276 E278 W281	I267-R271 HydrophobicContact CG2-CG 4.27Å; I267-R271 WeakPolarHBondContact O-CB 3.36Å; I267-R271 VanDerWaalsContact O-CG 3.29Å; I267-R271 WeakPolarHBondContact O-CG 3.44Å; I267-R271 PolarHBondContact O-N 2.98Å; F268-R271 PolarHBondContact O-N 3.35Å; R271-R273 VanDerWaalsContact C-N 3.33Å; R271-R273 PolarHBondContact O-N 3Å; R271-L274 PolarHBondContact O-N 3.48Å; R271-K275 PolarHBondContact O-N 3.48Å; R271-I276 PolarHBondContact O-N 3.18Å; R271-E278 IonicContact CZ-OE1 3.53Å; R271-E278 VanDerWaalsContact NH1-CB 3.34Å; R271-E278 VanDerWaalsContact NH1-CD 3.34Å; R271-E278 VanDerWaalsContact NH1-CG 3.3Å; R271-E278 IonicContact NH1-OE1 2.66Å; R271-E278 PolarHBondContact NH1-OE1 2.9Å; R271-E278 IonicContact NH2-OE1 3.47Å; R271-W281 HydrophobicContact CG-CB 4.09Å; R271-W281 HydrophobicContact CG-CD2 3.64Å; R271-W281 HydrophobicContact CG-CE3 3.67Å; R271-W281 HydrophobicContact CG-CG 3.84Å; R271-W281 HydrophobicContact CG-CZ3 4.34Å
272	R	94.3	Very high	91.9	Very high	187 Å²	187	72.4 Å²	72.4	71%	0.706	34%	0.34	S	S	*	.	H	α-helix	trans	-61.7	-39.7	179.7	-172.2	175.4	-179.7	179.5	0.5	112.3	F268 I269 T270 K275	F268-R272 WeakPolarHBondContact O-CB 3.04Å; F268-R272 PolarHBondContact O-N 2.84Å; I269-R272 PolarHBondContact O-N 3.46Å; T270-R272 VanDerWaalsContact C-N 3.33Å; T270-R272 PolarHBondContact O-N 2.79Å; R272-K275 PolarHBondContact O-N 2.95Å
273	R	93.9	Very high	91.6	Very high	57 Å²	57	78 Å²	78	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-71.9	-36.8	177.8	-76.3	179.9	176.6	-159.9	0.6	113.1	I269 T270 R271 K275 L297 W298 I299 S300 Y303	I269-R273 HydrophobicContact CG2-CG 4.4Å; I269-R273 WeakPolarHBondContact O-CB 3.3Å; I269-R273 WeakPolarHBondContact O-CG 3.36Å; I269-R273 PolarHBondContact O-N 3.33Å; T270-R273 PolarHBondContact O-N 3.49Å; R271-R273 VanDerWaalsContact C-N 3.33Å; R271-R273 PolarHBondContact O-N 3Å; R273-K275 PolarHBondContact O-N 2.92Å; R273-L297 WeakPolarHBondContact CD-O 3.32Å; R273-L297 PolarHBondContact NH1-O 3.16Å; R273-W298 VanDerWaalsContact NH1-C 3.28Å; R273-W298 PolarHBondContact NH1-O 3.46Å; R273-W298 PolarHBondContact NH2-O 3.45Å; R273-I299 PolarHBondContact NH1-O 2.7Å; R273-S300 VanDerWaalsContact NH1-CA 3.33Å; R273-Y303 HydrophobicContact CB-CD2 3.87Å; R273-Y303 HydrophobicContact CB-CE2 3.66Å; R273-Y303 HydrophobicContact CB-CG 4.38Å; R273-Y303 HydrophobicContact CG-CD2 4.44Å; R273-Y303 HydrophobicContact CG-CE2 4.46Å; R273-Y303 HydrophobicContact CG-CG 4.47Å; R273-Y303 VanDerWaalsContact NH1-CB 3.26Å; R273-Y303 WeakPolarHBondContact O-CE2 3.27Å; R273-Y303 PolarHBondContact O-OH 3Å
274	L	92.4	Very high	91.4	Very high	34 Å²	34	74.2 Å²	74.2	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-75.6	-13.5	174.1	-66.5	174.7	0	0	0	113	T270 R271 I276 W281 Y292 L297 F306	T270-L274 HydrophobicContact CG2-CD1 3.89Å; T270-L274 HydrophobicContact CG2-CG 4.47Å; T270-L274 WeakPolarHBondContact O-CG 3.44Å; T270-L274 PolarHBondContact O-N 3.02Å; R271-L274 PolarHBondContact O-N 3.48Å; L274-I276 VanDerWaalsContact C-N 3.27Å; L274-I276 HydrophobicContact CB-CB 4.43Å; L274-I276 HydrophobicContact CB-CD1 3.63Å; L274-I276 HydrophobicContact CB-CG1 3.76Å; L274-I276 HydrophobicContact CD1-CD1 3.92Å; L274-I276 HydrophobicContact CG-CD1 4.37Å; L274-I276 PolarHBondContact O-N 2.95Å; L274-W281 HydrophobicContact CD1-CZ3 4.22Å; L274-Y292 HydrophobicContact CD1-CD1 3.91Å; L274-Y292 HydrophobicContact CD1-CD2 4.09Å; L274-Y292 HydrophobicContact CD1-CE1 4.14Å; L274-Y292 HydrophobicContact CD1-CE2 4.28Å; L274-Y292 HydrophobicContact CD1-CG 3.89Å; L274-L297 HydrophobicContact CD1-CD1 4.14Å; L274-L297 HydrophobicContact CD2-CD1 3.94Å; L274-L297 HydrophobicContact CG-CD1 4.21Å; L274-F306 HydrophobicContact CD2-CE1 3.76Å; L274-F306 HydrophobicContact CD2-CZ 4.17Å
275	K	91.2	Very high	91.3	Very high	185 Å²	185	68 Å²	68	80%	0.804	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	35.1	-174.7	-54.8	-179.6	179.8	178.8	0	113.2	R271 R272 R273	R271-K275 PolarHBondContact O-N 3.48Å; R272-K275 PolarHBondContact O-N 2.95Å; R273-K275 PolarHBondContact O-N 2.92Å
276	I	90.4	Very high	91.3	Very high	36 Å²	36	73.6 Å²	73.6	19%	0.185	36%	0.36	C	S	.	.			trans	-99	137.7	-178.7	-64.1	175.8	0	0	0	109.1	R271 L274 E280 W281	R271-I276 PolarHBondContact O-N 3.18Å; L274-I276 VanDerWaalsContact C-N 3.27Å; L274-I276 HydrophobicContact CB-CB 4.43Å; L274-I276 HydrophobicContact CB-CD1 3.63Å; L274-I276 HydrophobicContact CB-CG1 3.76Å; L274-I276 HydrophobicContact CD1-CD1 3.92Å; L274-I276 HydrophobicContact CG-CD1 4.37Å; L274-I276 PolarHBondContact O-N 2.95Å; I276-E280 HydrophobicContact CG2-CB 3.6Å; I276-E280 HydrophobicContact CG2-CG 3.61Å; I276-W281 HydrophobicContact CG2-CB 4.26Å
277	S	88.2	Confident	91.3	Very high	53 Å²	53	78 Å²	78	37%	0.371	38%	0.384	S	S	.	.			trans	-71.1	159.8	174.6	71.5	0	0	0	0	111.2	S279 E280 W281	S277-S279 VanDerWaalsContact C-N 3.34Å; S277-S279 PolarHBondContact O-N 2.99Å; S277-S279 PolarHBondContact OG-OG 3.26Å; S277-S279 VanDerWaalsContact OG-OG 3.04Å; S277-E280 PolarHBondContact O-N 3.49Å; S277-E280 WeakPolarHBondContact OG-CB 3.06Å; S277-E280 PolarHBondContact OG-N 3.07Å; S277-W281 PolarHBondContact O-N 3.08Å
278	E	88.5	Confident	91.2	Very high	122 Å²	122	79.1 Å²	79.1	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-55.3	-47.4	175.8	-178	153.1	-110.3	0	0	112.9	R271 E280 W281 D282	R271-E278 IonicContact CZ-OE1 3.53Å; R271-E278 VanDerWaalsContact NH1-CB 3.34Å; R271-E278 VanDerWaalsContact NH1-CD 3.34Å; R271-E278 VanDerWaalsContact NH1-CG 3.3Å; R271-E278 IonicContact NH1-OE1 2.66Å; R271-E278 PolarHBondContact NH1-OE1 2.9Å; R271-E278 IonicContact NH2-OE1 3.47Å; E278-E280 VanDerWaalsContact C-N 3.32Å; E278-E280 PolarHBondContact O-N 2.67Å; E278-W281 WeakPolarHBondContact O-CB 3.36Å; E278-W281 PolarHBondContact O-N 2.97Å; E278-D282 VanDerWaalsContact O-CG 3.3Å; E278-D282 PolarHBondContact O-N 2.89Å
279	S	85.4	Confident	91.1	Very high	63 Å²	63	78.2 Å²	78.2	44%	0.441	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-34	177.2	53.3	0	0	0	0	114.2	S277 Y283	S277-S279 VanDerWaalsContact C-N 3.34Å; S277-S279 PolarHBondContact O-N 2.99Å; S277-S279 PolarHBondContact OG-OG 3.26Å; S277-S279 VanDerWaalsContact OG-OG 3.04Å; S279-Y283 WeakPolarHBondContact O-CB 3.49Å; S279-Y283 PolarHBondContact O-N 3.22Å
280	E	87.9	Confident	91.1	Very high	80 Å²	80	79.7 Å²	79.7	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-74.3	-34.8	177.9	-178.5	178.2	-165.7	0	0	111.4	R217 I276 S277 E278 Y283 A284	R217-E280 IonicContact NH1-OE1 3.77Å; R217-E280 IonicContact NH1-OE2 3.47Å; I276-E280 HydrophobicContact CG2-CB 3.6Å; I276-E280 HydrophobicContact CG2-CG 3.61Å; S277-E280 PolarHBondContact O-N 3.49Å; S277-E280 WeakPolarHBondContact OG-CB 3.06Å; S277-E280 PolarHBondContact OG-N 3.07Å; E278-E280 VanDerWaalsContact C-N 3.32Å; E278-E280 PolarHBondContact O-N 2.67Å; E280-Y283 PolarHBondContact O-N 3.08Å; E280-A284 PolarHBondContact O-N 3.4Å; E280-A284 VanDerWaalsContact O-N 3.11Å
281	W	90.5	Very high	91	Very high	8 Å²	8	85.2 Å²	85.2	3%	0.03	43%	0.425	C	S	.	.	H	α-helix	trans	-60.3	-46.8	170.3	179.3	-92.7	0	0	0	111.1	I267 T270 R271 L274 I276 S277 E278 Y283 A284 Q289 Y292 L293	I267-W281 HydrophobicContact CG2-CZ2 4.12Å; T270-W281 HydrophobicContact CG2-CH2 4.17Å; T270-W281 HydrophobicContact CG2-CZ3 4.18Å; R271-W281 HydrophobicContact CG-CB 4.09Å; R271-W281 HydrophobicContact CG-CD2 3.64Å; R271-W281 HydrophobicContact CG-CE3 3.67Å; R271-W281 HydrophobicContact CG-CG 3.84Å; R271-W281 HydrophobicContact CG-CZ3 4.34Å; L274-W281 HydrophobicContact CD1-CZ3 4.22Å; I276-W281 HydrophobicContact CG2-CB 4.26Å; S277-W281 PolarHBondContact O-N 3.08Å; E278-W281 WeakPolarHBondContact O-CB 3.36Å; E278-W281 PolarHBondContact O-N 2.97Å; W281-Y283 VanDerWaalsContact C-N 3.33Å; W281-Y283 PolarHBondContact O-N 3.43Å; W281-A284 WeakPolarHBondContact O-CB 3.42Å; W281-A284 PolarHBondContact O-N 2.96Å; W281-Q289 HydrophobicContact CD2-CG 4.11Å; W281-Q289 HydrophobicContact CG-CG 4.5Å; W281-Q289 HydrophobicContact CH2-CB 4.32Å; W281-Q289 HydrophobicContact CH2-CG 4.45Å; W281-Q289 HydrophobicContact CZ2-CB 3.75Å; W281-Q289 HydrophobicContact CZ2-CG 3.79Å; W281-Q289 PolarHBondContact O-NE2 3.3Å; W281-Y292 HydrophobicContact CE3-CD2 4.39Å; W281-Y292 HydrophobicContact CH2-CD2 4.08Å; W281-Y292 HydrophobicContact CH2-CG 4.44Å; W281-Y292 AromaticContact CZ3-CD2 3.56Å; W281-Y292 HydrophobicContact CZ3-CD2 3.56Å; W281-Y292 HydrophobicContact CZ3-CE2 4.41Å; W281-Y292 HydrophobicContact CZ3-CG 4.14Å; W281-L293 HydrophobicContact CH2-CG 4.42Å; W281-L293 HydrophobicContact CZ2-CG 4.39Å
282	D	89.8	Confident	91	Very high	101 Å²	101	85.6 Å²	85.6	54%	0.54	43%	0.427	S	S	.	.	H	α-helix	trans	-64.3	-37.9	179.1	-62.7	-22.2	0	0	0	112	E278 A284	E278-D282 VanDerWaalsContact O-CG 3.3Å; E278-D282 PolarHBondContact O-N 2.89Å; D282-A284 VanDerWaalsContact C-N 3.34Å; D282-A284 PolarHBondContact O-N 3.43Å
283	Y	86.6	Confident	90.9	Very high	185 Å²	185	78.6 Å²	78.6	73%	0.725	40%	0.403	S	S	*	.	H	α-helix	trans	-69	-27.8	177	-173.4	-97.4	0	0	0	113.9	S279 E280 W281 G285	S279-Y283 WeakPolarHBondContact O-CB 3.49Å; S279-Y283 PolarHBondContact O-N 3.22Å; E280-Y283 PolarHBondContact O-N 3.08Å; W281-Y283 VanDerWaalsContact C-N 3.33Å; W281-Y283 PolarHBondContact O-N 3.43Å; Y283-G285 PolarHBondContact O-N 3.41Å
284	A	88.1	Confident	91	Very high	44 Å²	44	80 Å²	80	36%	0.364	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.1	-178.8	0	0	0	0	0	113.2	E280 W281 D282 Q288	E280-A284 PolarHBondContact O-N 3.4Å; E280-A284 VanDerWaalsContact O-N 3.11Å; W281-A284 WeakPolarHBondContact O-CB 3.42Å; W281-A284 PolarHBondContact O-N 2.96Å; D282-A284 VanDerWaalsContact C-N 3.34Å; D282-A284 PolarHBondContact O-N 3.43Å; A284-Q288 HydrophobicContact CB-CB 4.14Å; A284-Q288 HydrophobicContact CB-CG 4.15Å; A284-Q288 VanDerWaalsContact O-CB 3.3Å; A284-Q288 WeakPolarHBondContact O-CB 3.36Å
285	G	89.7	Confident	91	Very high	30 Å²	30	81.6 Å²	81.6	31%	0.309	43%	0.428	S	S	.	.	H	α-helix	trans	80.7	157.9	-179.6	0	0	0	0	0	113.1	Y283 E287 Q288 Q289	Y283-G285 PolarHBondContact O-N 3.41Å; G285-E287 VanDerWaalsContact C-N 3.28Å; G285-E287 PolarHBondContact O-N 3.03Å; G285-Q288 PolarHBondContact O-N 3Å; G285-Q289 VanDerWaalsContact O-CG 3.29Å; G285-Q289 WeakPolarHBondContact O-CG 3.41Å; G285-Q289 PolarHBondContact O-N 3.02Å; G285-Q289 VanDerWaalsContact O-N 3.08Å
286	V	92.7	Very high	91.2	Very high	119 Å²	119	78.2 Å²	78.2	72%	0.721	41%	0.414	S	S	*	.	H	α-helix	trans	-59.5	-37.1	-171.5	-177.2	0	0	0	0	112.3	Q289 A290	V286-Q289 PolarHBondContact O-N 2.92Å; V286-A290 WeakPolarHBondContact O-CB 3.43Å; V286-A290 PolarHBondContact O-N 3.03Å
287	E	93.7	Very high	91.4	Very high	177 Å²	177	76.6 Å²	76.6	83%	0.827	41%	0.405	S	S	*	.	H	α-helix	trans	-63.9	-47.8	-179.8	-172.7	-176.3	174	0	0	112.1	G285 A290 K291	G285-E287 VanDerWaalsContact C-N 3.28Å; G285-E287 PolarHBondContact O-N 3.03Å; E287-A290 PolarHBondContact O-N 3.42Å; E287-K291 PolarHBondContact O-N 3.03Å
288	Q	92.6	Very high	91.6	Very high	62 Å²	62	75.6 Å²	75.6	29%	0.29	39%	0.394	S	S	.	.	H	α-helix	trans	-69.4	-36.6	179.5	-171.5	64	18.7	0	0	111.3	A284 G285 K291 Y292	A284-Q288 HydrophobicContact CB-CB 4.14Å; A284-Q288 HydrophobicContact CB-CG 4.15Å; A284-Q288 VanDerWaalsContact O-CB 3.3Å; A284-Q288 WeakPolarHBondContact O-CB 3.36Å; G285-Q288 PolarHBondContact O-N 3Å; Q288-K291 WeakPolarHBondContact O-CB 3.32Å; Q288-K291 PolarHBondContact O-N 2.71Å; Q288-Y292 HydrophobicContact CG-CD2 4.27Å; Q288-Y292 HydrophobicContact CG-CE2 3.67Å; Q288-Y292 PolarHBondContact NE2-OH 3.3Å; Q288-Y292 VanDerWaalsContact NE2-OH 3.11Å; Q288-Y292 VanDerWaalsContact O-CD2 3.24Å; Q288-Y292 WeakPolarHBondContact O-CD2 3.43Å; Q288-Y292 PolarHBondContact O-N 3.26Å; Q288-Y292 VanDerWaalsContact O-N 3.09Å
289	Q	93.3	Very high	91.9	Very high	38 Å²	38	73.1 Å²	73.1	18%	0.178	38%	0.383	C	S	.	.	H	α-helix	trans	-60.7	-46.9	173	-67.8	176.8	3.7	0	0	111.3	W281 G285 V286 K291 Y292 L293	W281-Q289 HydrophobicContact CD2-CG 4.11Å; W281-Q289 HydrophobicContact CG-CG 4.5Å; W281-Q289 HydrophobicContact CH2-CB 4.32Å; W281-Q289 HydrophobicContact CH2-CG 4.45Å; W281-Q289 HydrophobicContact CZ2-CB 3.75Å; W281-Q289 HydrophobicContact CZ2-CG 3.79Å; W281-Q289 PolarHBondContact O-NE2 3.3Å; G285-Q289 VanDerWaalsContact O-CG 3.29Å; G285-Q289 WeakPolarHBondContact O-CG 3.41Å; G285-Q289 PolarHBondContact O-N 3.02Å; G285-Q289 VanDerWaalsContact O-N 3.08Å; V286-Q289 PolarHBondContact O-N 2.92Å; Q289-K291 VanDerWaalsContact C-N 3.28Å; Q289-K291 PolarHBondContact O-N 3.04Å; Q289-Y292 PolarHBondContact O-N 3.47Å; Q289-L293 WeakPolarHBondContact O-CG 3.42Å; Q289-L293 PolarHBondContact O-N 3.04Å
290	A	94	Very high	92.2	Very high	55 Å²	55	73.2 Å²	73.2	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-60.4	-38.3	176.4	0	0	0	0	0	111.7	V286 E287 L293 S294	V286-A290 WeakPolarHBondContact O-CB 3.43Å; V286-A290 PolarHBondContact O-N 3.03Å; E287-A290 PolarHBondContact O-N 3.42Å; A290-L293 PolarHBondContact O-N 3.41Å; A290-S294 WeakPolarHBondContact O-CB 3.39Å; A290-S294 PolarHBondContact O-N 3.37Å; A290-S294 PolarHBondContact O-OG 3.37Å
291	K	94.5	Very high	92.6	Very high	115 Å²	115	76.3 Å²	76.3	50%	0.5	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-40.9	174.7	-175	178.4	-179.3	173.9	0	112.9	E287 Q288 Q289 S294 Q295	E287-K291 PolarHBondContact O-N 3.03Å; Q288-K291 WeakPolarHBondContact O-CB 3.32Å; Q288-K291 PolarHBondContact O-N 2.71Å; Q289-K291 VanDerWaalsContact C-N 3.28Å; Q289-K291 PolarHBondContact O-N 3.04Å; K291-S294 PolarHBondContact O-OG 3.35Å; K291-Q295 WeakPolarHBondContact O-CG 3.32Å
292	Y	93.3	Very high	92.9	Very high	47 Å²	47	78.7 Å²	78.7	18%	0.184	41%	0.412	C	S	.	.	H	α-helix	trans	-70.9	-37.9	175.5	-68.6	-49.5	0	0	0	112.4	L274 W281 Q288 Q289 Q295 L297	L274-Y292 HydrophobicContact CD1-CD1 3.91Å; L274-Y292 HydrophobicContact CD1-CD2 4.09Å; L274-Y292 HydrophobicContact CD1-CE1 4.14Å; L274-Y292 HydrophobicContact CD1-CE2 4.28Å; L274-Y292 HydrophobicContact CD1-CG 3.89Å; W281-Y292 HydrophobicContact CE3-CD2 4.39Å; W281-Y292 HydrophobicContact CH2-CD2 4.08Å; W281-Y292 HydrophobicContact CH2-CG 4.44Å; W281-Y292 AromaticContact CZ3-CD2 3.56Å; W281-Y292 HydrophobicContact CZ3-CD2 3.56Å; W281-Y292 HydrophobicContact CZ3-CE2 4.41Å; W281-Y292 HydrophobicContact CZ3-CG 4.14Å; Q288-Y292 HydrophobicContact CG-CD2 4.27Å; Q288-Y292 HydrophobicContact CG-CE2 3.67Å; Q288-Y292 PolarHBondContact NE2-OH 3.3Å; Q288-Y292 VanDerWaalsContact NE2-OH 3.11Å; Q288-Y292 VanDerWaalsContact O-CD2 3.24Å; Q288-Y292 WeakPolarHBondContact O-CD2 3.43Å; Q288-Y292 PolarHBondContact O-N 3.26Å; Q288-Y292 VanDerWaalsContact O-N 3.09Å; Q289-Y292 PolarHBondContact O-N 3.47Å; Y292-Q295 PolarHBondContact O-N 3.25Å; Y292-L297 HydrophobicContact CD1-CD1 4.18Å
293	L	93.5	Very high	93.1	Very high	39 Å²	39	76 Å²	76	20%	0.204	39%	0.394	C	S	.	.	H	α-helix	trans	-69.4	-35.2	179.1	-69	173.9	0	0	0	112.1	I267 W281 Q289 A290 Q295 K296 W298	I267-L293 HydrophobicContact CG1-CD1 4.17Å; I267-L293 HydrophobicContact CG1-CD2 3.93Å; W281-L293 HydrophobicContact CH2-CG 4.42Å; W281-L293 HydrophobicContact CZ2-CG 4.39Å; Q289-L293 WeakPolarHBondContact O-CG 3.42Å; Q289-L293 PolarHBondContact O-N 3.04Å; A290-L293 PolarHBondContact O-N 3.41Å; L293-Q295 VanDerWaalsContact C-N 3.25Å; L293-Q295 PolarHBondContact O-N 2.85Å; L293-K296 PolarHBondContact O-N 3.45Å; L293-W298 HydrophobicContact CB-CZ3 4.42Å; L293-W298 HydrophobicContact CD2-CE3 4.48Å; L293-W298 HydrophobicContact CD2-CZ3 3.87Å; L293-W298 VanDerWaalsContact O-CH2 3.26Å; L293-W298 WeakPolarHBondContact O-CH2 3.49Å; L293-W298 VanDerWaalsContact O-CZ3 3.29Å; L293-W298 WeakPolarHBondContact O-CZ3 3.34Å
294	S	94.1	Very high	93.6	Very high	87 Å²	87	73 Å²	73	61%	0.608	39%	0.387	S	S	*	.	H	α-helix	trans	-64.7	-30	177.1	71	0	0	0	0	112.8	A290 K291 K296	A290-S294 WeakPolarHBondContact O-CB 3.39Å; A290-S294 PolarHBondContact O-N 3.37Å; A290-S294 PolarHBondContact O-OG 3.37Å; K291-S294 PolarHBondContact O-OG 3.35Å; S294-K296 PolarHBondContact O-N 2.85Å
295	Q	94	Very high	93.9	Very high	68 Å²	68	77.6 Å²	77.6	32%	0.318	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8	174	-68.5	176.9	-6.3	0	0	113.7	K291 Y292 L293 L297 F306	K291-Q295 WeakPolarHBondContact O-CG 3.32Å; Y292-Q295 PolarHBondContact O-N 3.25Å; L293-Q295 VanDerWaalsContact C-N 3.25Å; L293-Q295 PolarHBondContact O-N 2.85Å; Q295-L297 VanDerWaalsContact C-N 3.28Å; Q295-L297 HydrophobicContact CB-CD2 3.94Å; Q295-L297 HydrophobicContact CB-CG 3.9Å; Q295-L297 PolarHBondContact O-N 2.96Å; Q295-F306 VanDerWaalsContact OE1-CD2 3.24Å; Q295-F306 VanDerWaalsContact OE1-CE2 3.25Å
296	K	94.3	Very high	94.2	Very high	114 Å²	114	77.9 Å²	77.9	50%	0.496	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	46.8	179	-56.8	-176.8	-179.4	178.3	0	112.7	L293 S294 W298 I299 N302	L293-K296 PolarHBondContact O-N 3.45Å; S294-K296 PolarHBondContact O-N 2.85Å; K296-W298 HydrophobicContact CB-CD2 4.48Å; K296-W298 HydrophobicContact CB-CH2 3.98Å; K296-W298 HydrophobicContact CB-CZ2 3.75Å; K296-W298 HydrophobicContact CB-CZ3 4.43Å; K296-W298 HydrophobicContact CD-CZ2 4.27Å; K296-W298 HydrophobicContact CG-CH2 3.74Å; K296-W298 HydrophobicContact CG-CZ2 3.62Å; K296-W298 PolarHBondContact O-N 3.39Å; K296-I299 HydrophobicContact CB-CD1 4.27Å; K296-I299 PolarHBondContact O-N 3.29Å; K296-I299 VanDerWaalsContact O-N 3.09Å; K296-N302 PolarHBondContact O-ND2 2.91Å
297	L	94.1	Very high	94.3	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.005	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-6	-175.4	-63.6	178.2	0	0	0	114.2	T270 R273 L274 Y292 Q295 I299 F306	T270-L297 HydrophobicContact CG2-CB 4Å; T270-L297 HydrophobicContact CG2-CD1 4.07Å; R273-L297 WeakPolarHBondContact CD-O 3.32Å; R273-L297 PolarHBondContact NH1-O 3.16Å; L274-L297 HydrophobicContact CD1-CD1 4.14Å; L274-L297 HydrophobicContact CD2-CD1 3.94Å; L274-L297 HydrophobicContact CG-CD1 4.21Å; Y292-L297 HydrophobicContact CD1-CD1 4.18Å; Q295-L297 VanDerWaalsContact C-N 3.28Å; Q295-L297 HydrophobicContact CB-CD2 3.94Å; Q295-L297 HydrophobicContact CB-CG 3.9Å; Q295-L297 PolarHBondContact O-N 2.96Å; L297-I299 VanDerWaalsContact C-N 3.29Å; L297-F306 HydrophobicContact CD2-CB 3.62Å; L297-F306 HydrophobicContact CD2-CD1 4.19Å; L297-F306 HydrophobicContact CD2-CD2 4.01Å; L297-F306 HydrophobicContact CD2-CG 3.67Å
298	W	93.2	Very high	94.4	Very high	33 Å²	33	68.7 Å²	68.7	13%	0.125	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.1	171.3	58.3	87	0	0	0	113.4	R266 I269 R273 L293 K296	R266-W298 HydrophobicContact CB-CD2 3.93Å; R266-W298 HydrophobicContact CB-CE3 3.7Å; R266-W298 HydrophobicContact CB-CG 4.47Å; R266-W298 HydrophobicContact CB-CH2 4.48Å; R266-W298 HydrophobicContact CB-CZ3 3.98Å; R266-W298 VanDerWaalsContact CD-CZ2 3.44Å; R266-W298 HydrophobicContact CG-CD2 3.72Å; R266-W298 HydrophobicContact CG-CE3 4Å; R266-W298 HydrophobicContact CG-CG 4.11Å; R266-W298 HydrophobicContact CG-CH2 4.38Å; R266-W298 HydrophobicContact CG-CZ2 4.14Å; R266-W298 HydrophobicContact CG-CZ3 4.31Å; I269-W298 HydrophobicContact CB-CB 4.01Å; I269-W298 HydrophobicContact CD1-CB 4.46Å; I269-W298 HydrophobicContact CG2-CB 3.76Å; R273-W298 VanDerWaalsContact NH1-C 3.28Å; R273-W298 PolarHBondContact NH1-O 3.46Å; R273-W298 PolarHBondContact NH2-O 3.45Å; L293-W298 HydrophobicContact CB-CZ3 4.42Å; L293-W298 HydrophobicContact CD2-CE3 4.48Å; L293-W298 HydrophobicContact CD2-CZ3 3.87Å; L293-W298 VanDerWaalsContact O-CH2 3.26Å; L293-W298 WeakPolarHBondContact O-CH2 3.49Å; L293-W298 VanDerWaalsContact O-CZ3 3.29Å; L293-W298 WeakPolarHBondContact O-CZ3 3.34Å; K296-W298 HydrophobicContact CB-CD2 4.48Å; K296-W298 HydrophobicContact CB-CH2 3.98Å; K296-W298 HydrophobicContact CB-CZ2 3.75Å; K296-W298 HydrophobicContact CB-CZ3 4.43Å; K296-W298 HydrophobicContact CD-CZ2 4.27Å; K296-W298 HydrophobicContact CG-CH2 3.74Å; K296-W298 HydrophobicContact CG-CZ2 3.62Å; K296-W298 PolarHBondContact O-N 3.39Å
299	I	94.1	Very high	94.5	Very high	70 Å²	70	69.6 Å²	69.6	36%	0.359	36%	0.358	S	S	.	.	S	Bend	trans	-83.6	128.3	172.8	-58.7	175.5	0	0	0	108.8	R273 K296 L297 E301 N302 Y303	R273-I299 PolarHBondContact NH1-O 2.7Å; K296-I299 HydrophobicContact CB-CD1 4.27Å; K296-I299 PolarHBondContact O-N 3.29Å; K296-I299 VanDerWaalsContact O-N 3.09Å; L297-I299 VanDerWaalsContact C-N 3.29Å; I299-E301 VanDerWaalsContact C-N 3.34Å; I299-E301 PolarHBondContact O-N 3.06Å; I299-N302 HydrophobicContact CB-CB 4.34Å; I299-N302 PolarHBondContact O-N 3.27Å; I299-Y303 PolarHBondContact O-N 3.46Å; I299-Y303 VanDerWaalsContact O-N 3.17Å
300	S	93.1	Very high	94.5	Very high	65 Å²	65	72.2 Å²	72.2	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-56.3	-45.5	-172.2	-165.9	0	0	0	0	113	R273 Y303 Q304	R273-S300 VanDerWaalsContact NH1-CA 3.33Å; S300-Y303 PolarHBondContact O-N 2.92Å; S300-Q304 WeakPolarHBondContact O-CG 3.19Å; S300-Q304 PolarHBondContact O-N 3.23Å
301	E	95.6	Very high	94.6	Very high	145 Å²	145	74.9 Å²	74.9	68%	0.678	37%	0.373	S	S	*	.	H	α-helix	trans	-61.8	-46.3	-178.9	-63.5	171.5	-173.5	0	0	112.1	I299 Y303 Q304 K305	I299-E301 VanDerWaalsContact C-N 3.34Å; I299-E301 PolarHBondContact O-N 3.06Å; E301-Y303 VanDerWaalsContact C-N 3.27Å; E301-Y303 PolarHBondContact O-N 2.84Å; E301-Q304 PolarHBondContact O-N 3.22Å; E301-K305 PolarHBondContact O-N 3.44Å
302	N	95.9	Very high	94.6	Very high	57 Å²	57	75 Å²	75	31%	0.305	38%	0.375	S	S	.	.	H	α-helix	trans	-61.6	-37.9	177.4	-68.2	-7.4	0	0	0	112	K296 I299 F306	K296-N302 PolarHBondContact O-ND2 2.91Å; I299-N302 HydrophobicContact CB-CB 4.34Å; I299-N302 PolarHBondContact O-N 3.27Å; N302-F306 VanDerWaalsContact O-CB 3.32Å; N302-F306 WeakPolarHBondContact O-CB 3.46Å; N302-F306 PolarHBondContact O-N 2.97Å
303	Y	95.6	Very high	94.7	Very high	44 Å²	44	74.5 Å²	74.5	17%	0.173	38%	0.381	C	S	.	.	H	α-helix	trans	-68.7	-40.9	176.6	174.9	-109.5	0	0	0	112.5	R273 I299 S300 E301 K305 F306 L307	R273-Y303 HydrophobicContact CB-CD2 3.87Å; R273-Y303 HydrophobicContact CB-CE2 3.66Å; R273-Y303 HydrophobicContact CB-CG 4.38Å; R273-Y303 HydrophobicContact CG-CD2 4.44Å; R273-Y303 HydrophobicContact CG-CE2 4.46Å; R273-Y303 HydrophobicContact CG-CG 4.47Å; R273-Y303 VanDerWaalsContact NH1-CB 3.26Å; R273-Y303 WeakPolarHBondContact O-CE2 3.27Å; R273-Y303 PolarHBondContact O-OH 3Å; I299-Y303 PolarHBondContact O-N 3.46Å; I299-Y303 VanDerWaalsContact O-N 3.17Å; S300-Y303 PolarHBondContact O-N 2.92Å; E301-Y303 VanDerWaalsContact C-N 3.27Å; E301-Y303 PolarHBondContact O-N 2.84Å; Y303-K305 VanDerWaalsContact C-N 3.32Å; Y303-K305 PolarHBondContact O-N 3.35Å; Y303-F306 PolarHBondContact O-N 3.23Å; Y303-L307 HydrophobicContact CD1-CD1 4.05Å; Y303-L307 HydrophobicContact CD1-CG 4.47Å; Y303-L307 HydrophobicContact CD2-CG 4.4Å; Y303-L307 HydrophobicContact CE1-CD1 3.39Å; Y303-L307 HydrophobicContact CE1-CG 4.02Å; Y303-L307 HydrophobicContact CE2-CD1 4.2Å; Y303-L307 HydrophobicContact CE2-CD2 4.09Å; Y303-L307 HydrophobicContact CE2-CG 3.93Å; Y303-L307 VanDerWaalsContact CZ-CD1 3.49Å; Y303-L307 WeakPolarHBondContact O-CG 3.48Å; Y303-L307 PolarHBondContact O-N 3.39Å
304	Q	95.5	Very high	94.8	Very high	124 Å²	124	76.5 Å²	76.5	58%	0.579	39%	0.392	S	S	*	.	H	α-helix	trans	-62.1	-42.3	175.2	-72.7	178.5	-11.5	0	0	111.5	S300 E301 L307 A308	S300-Q304 WeakPolarHBondContact O-CG 3.19Å; S300-Q304 PolarHBondContact O-N 3.23Å; E301-Q304 PolarHBondContact O-N 3.22Å; Q304-L307 PolarHBondContact O-N 2.77Å; Q304-A308 PolarHBondContact O-N 3.39Å
305	K	95.8	Very high	94.8	Very high	139 Å²	139	81 Å²	81	60%	0.604	40%	0.396	S	S	*	.	H	α-helix	trans	-60.8	-49.1	173.3	-173.1	178.8	178.8	179.2	0	111.5	E301 Y303 L307 A308 D309	E301-K305 PolarHBondContact O-N 3.44Å; Y303-K305 VanDerWaalsContact C-N 3.32Å; Y303-K305 PolarHBondContact O-N 3.35Å; K305-L307 VanDerWaalsContact C-N 3.3Å; K305-L307 PolarHBondContact O-N 2.98Å; K305-A308 WeakPolarHBondContact O-CB 3.43Å; K305-A308 PolarHBondContact O-N 2.93Å; K305-A308 VanDerWaalsContact O-N 3.07Å; K305-D309 PolarHBondContact O-N 3.37Å
306	F	95.2	Very high	94.8	Very high	37 Å²	37	81.6 Å²	81.6	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-56.8	-41.7	176.7	174.5	-94.4	0	0	0	112.8	L274 Q295 L297 N302 Y303 D309 Q310	L274-F306 HydrophobicContact CD2-CE1 3.76Å; L274-F306 HydrophobicContact CD2-CZ 4.17Å; Q295-F306 VanDerWaalsContact OE1-CD2 3.24Å; Q295-F306 VanDerWaalsContact OE1-CE2 3.25Å; L297-F306 HydrophobicContact CD2-CB 3.62Å; L297-F306 HydrophobicContact CD2-CD1 4.19Å; L297-F306 HydrophobicContact CD2-CD2 4.01Å; L297-F306 HydrophobicContact CD2-CG 3.67Å; N302-F306 VanDerWaalsContact O-CB 3.32Å; N302-F306 WeakPolarHBondContact O-CB 3.46Å; N302-F306 PolarHBondContact O-N 2.97Å; Y303-F306 PolarHBondContact O-N 3.23Å; F306-D309 PolarHBondContact O-N 3.48Å; F306-Q310 WeakPolarHBondContact O-CB 3.34Å; F306-Q310 PolarHBondContact O-N 3.14Å
307	L	94.9	Very high	94.8	Very high	52 Å²	52	84 Å²	84	27%	0.272	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-41.6	175.3	-76.6	-178.7	0	0	0	112.2	Y303 Q304 K305 Q310 Q311	Y303-L307 HydrophobicContact CD1-CD1 4.05Å; Y303-L307 HydrophobicContact CD1-CG 4.47Å; Y303-L307 HydrophobicContact CD2-CG 4.4Å; Y303-L307 HydrophobicContact CE1-CD1 3.39Å; Y303-L307 HydrophobicContact CE1-CG 4.02Å; Y303-L307 HydrophobicContact CE2-CD1 4.2Å; Y303-L307 HydrophobicContact CE2-CD2 4.09Å; Y303-L307 HydrophobicContact CE2-CG 3.93Å; Y303-L307 VanDerWaalsContact CZ-CD1 3.49Å; Y303-L307 WeakPolarHBondContact O-CG 3.48Å; Y303-L307 PolarHBondContact O-N 3.39Å; Q304-L307 PolarHBondContact O-N 2.77Å; K305-L307 VanDerWaalsContact C-N 3.3Å; K305-L307 PolarHBondContact O-N 2.98Å; L307-Q310 PolarHBondContact O-N 2.9Å; L307-Q311 WeakPolarHBondContact O-CB 3.37Å; L307-Q311 VanDerWaalsContact O-CG 3.26Å; L307-Q311 WeakPolarHBondContact O-CG 3.16Å; L307-Q311 PolarHBondContact O-N 2.93Å
308	A	95.6	Very high	94.6	Very high	51 Å²	51	85.7 Å²	85.7	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-62.5	-46.8	176.1	0	0	0	0	0	111	Q304 K305 Q310 Q311 E312	Q304-A308 PolarHBondContact O-N 3.39Å; K305-A308 WeakPolarHBondContact O-CB 3.43Å; K305-A308 PolarHBondContact O-N 2.93Å; K305-A308 VanDerWaalsContact O-N 3.07Å; A308-Q310 VanDerWaalsContact C-N 3.31Å; A308-Q310 PolarHBondContact O-N 3.36Å; A308-Q311 PolarHBondContact O-N 3.37Å; A308-Q311 VanDerWaalsContact O-N 3.16Å; A308-E312 WeakPolarHBondContact O-CB 3.47Å; A308-E312 PolarHBondContact O-N 3.46Å
309	D	95.5	Very high	94.3	Very high	80 Å²	80	86.4 Å²	86.4	43%	0.428	43%	0.433	S	S	.	.	H	α-helix	trans	-59.9	-41.3	177	-62.8	-16.5	0	0	0	111.1	K305 F306 E312 A313	K305-D309 PolarHBondContact O-N 3.37Å; F306-D309 PolarHBondContact O-N 3.48Å; D309-E312 PolarHBondContact O-N 2.86Å; D309-A313 VanDerWaalsContact O-CB 3.3Å; D309-A313 WeakPolarHBondContact O-CB 3.5Å; D309-A313 PolarHBondContact O-N 2.87Å
310	Q	93.2	Very high	94.3	Very high	94 Å²	94	89.1 Å²	89.1	44%	0.439	44%	0.444	S	S	.	.	H	α-helix	trans	-66.8	-40.9	176.6	-169.1	-177.5	33.1	0	0	112	F306 L307 A308 N314	F306-Q310 WeakPolarHBondContact O-CB 3.34Å; F306-Q310 PolarHBondContact O-N 3.14Å; L307-Q310 PolarHBondContact O-N 2.9Å; A308-Q310 VanDerWaalsContact C-N 3.31Å; A308-Q310 PolarHBondContact O-N 3.36Å; Q310-N314 WeakPolarHBondContact O-CB 3.25Å; Q310-N314 PolarHBondContact O-N 3.35Å; Q310-N314 PolarHBondContact O-ND2 2.91Å
311	Q	94.8	Very high	94.2	Very high	111 Å²	111	89 Å²	89	52%	0.519	44%	0.439	S	S	.	.	H	α-helix	trans	-65.3	-41.7	176.3	-75	176	11.1	0	0	111.5	L307 A308 N314 R315	L307-Q311 WeakPolarHBondContact O-CB 3.37Å; L307-Q311 VanDerWaalsContact O-CG 3.26Å; L307-Q311 WeakPolarHBondContact O-CG 3.16Å; L307-Q311 PolarHBondContact O-N 2.93Å; A308-Q311 PolarHBondContact O-N 3.37Å; A308-Q311 VanDerWaalsContact O-N 3.16Å; Q311-N314 PolarHBondContact O-N 3.41Å; Q311-R315 WeakPolarHBondContact O-CB 3.45Å; Q311-R315 VanDerWaalsContact O-CG 3.24Å; Q311-R315 WeakPolarHBondContact O-CG 3.34Å; Q311-R315 PolarHBondContact O-N 3.02Å
312	E	95.6	Very high	94.1	Very high	116 Å²	116	86.9 Å²	86.9	54%	0.542	44%	0.435	S	S	.	.	H	α-helix	trans	-63.9	-48.6	175.5	-175.3	172.2	-169.5	0	0	111.3	A308 D309 N314 R315 I316	A308-E312 WeakPolarHBondContact O-CB 3.47Å; A308-E312 PolarHBondContact O-N 3.46Å; D309-E312 PolarHBondContact O-N 2.86Å; E312-N314 VanDerWaalsContact C-N 3.29Å; E312-N314 PolarHBondContact O-N 3.33Å; E312-R315 WeakPolarHBondContact O-CB 3.44Å; E312-R315 PolarHBondContact O-N 3.36Å; E312-I316 HydrophobicContact CG-CD1 3.99Å; E312-I316 WeakPolarHBondContact O-CG1 3.34Å; E312-I316 PolarHBondContact O-N 2.81Å
313	A	95.4	Very high	93.8	Very high	38 Å²	38	89.5 Å²	89.5	31%	0.314	45%	0.449	S	S	.	.	H	α-helix	trans	-58.1	-41.3	175.6	0	0	0	0	0	112.1	D309 I316 R317	D309-A313 VanDerWaalsContact O-CB 3.3Å; D309-A313 WeakPolarHBondContact O-CB 3.5Å; D309-A313 PolarHBondContact O-N 2.87Å; A313-I316 PolarHBondContact O-N 3.46Å; A313-R317 WeakPolarHBondContact O-CB 3.38Å; A313-R317 VanDerWaalsContact O-CG 3.26Å; A313-R317 WeakPolarHBondContact O-CG 3.46Å; A313-R317 PolarHBondContact O-N 3.09Å
314	N	94.5	Very high	93.5	Very high	81 Å²	81	90.7 Å²	90.7	43%	0.433	46%	0.459	S	S	.	.	H	α-helix	trans	-67	-37.4	175.5	-73.2	-18.6	0	0	0	112.2	Q310 Q311 E312 A318	Q310-N314 WeakPolarHBondContact O-CB 3.25Å; Q310-N314 PolarHBondContact O-N 3.35Å; Q310-N314 PolarHBondContact O-ND2 2.91Å; Q311-N314 PolarHBondContact O-N 3.41Å; E312-N314 VanDerWaalsContact C-N 3.29Å; E312-N314 PolarHBondContact O-N 3.33Å; N314-A318 WeakPolarHBondContact O-CB 3.4Å; N314-A318 PolarHBondContact O-N 3.34Å
315	R	93.6	Very high	93.3	Very high	182 Å²	182	88.8 Å²	88.8	69%	0.687	45%	0.448	S	S	*	.	H	α-helix	trans	-64.5	-44.1	174.1	-76.4	172.3	-180	-173.4	2.5	111.6	Q311 E312 A318 A319	Q311-R315 WeakPolarHBondContact O-CB 3.45Å; Q311-R315 VanDerWaalsContact O-CG 3.24Å; Q311-R315 WeakPolarHBondContact O-CG 3.34Å; Q311-R315 PolarHBondContact O-N 3.02Å; E312-R315 WeakPolarHBondContact O-CB 3.44Å; E312-R315 PolarHBondContact O-N 3.36Å; R315-A318 PolarHBondContact O-N 3.45Å; R315-A319 VanDerWaalsContact O-CB 3.23Å; R315-A319 WeakPolarHBondContact O-CB 3.37Å; R315-A319 PolarHBondContact O-N 3.37Å
316	I	94.5	Very high	92.9	Very high	79 Å²	79	91.3 Å²	91.3	41%	0.405	45%	0.454	S	S	.	.	H	α-helix	trans	-63.1	-50.2	176.9	-66.6	166.7	0	0	0	109.9	E312 A313 A318 A319 E320	E312-I316 HydrophobicContact CG-CD1 3.99Å; E312-I316 WeakPolarHBondContact O-CG1 3.34Å; E312-I316 PolarHBondContact O-N 2.81Å; A313-I316 PolarHBondContact O-N 3.46Å; I316-A318 VanDerWaalsContact C-N 3.32Å; I316-A318 PolarHBondContact O-N 3.16Å; I316-A319 CarbonylContact O-C 3.49Å; I316-A319 WeakPolarHBondContact O-CA 3.2Å; I316-A319 WeakPolarHBondContact O-CB 3.25Å; I316-A319 PolarHBondContact O-N 2.89Å; I316-E320 HydrophobicContact CG2-CG 4.33Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.43Å; I316-E320 WeakPolarHBondContact O-CG 3.49Å; I316-E320 PolarHBondContact O-N 3.35Å
317	R	94.1	Very high	92.5	Very high	166 Å²	166	95.5 Å²	95.5	63%	0.626	47%	0.47	S	S	*	.	H	α-helix	trans	-56.4	-45.9	175.5	-73.9	174.4	-175.4	174.9	0.9	112	A313 A319 E320 D321	A313-R317 WeakPolarHBondContact O-CB 3.38Å; A313-R317 VanDerWaalsContact O-CG 3.26Å; A313-R317 WeakPolarHBondContact O-CG 3.46Å; A313-R317 PolarHBondContact O-N 3.09Å; R317-A319 VanDerWaalsContact C-N 3.26Å; R317-A319 PolarHBondContact O-N 3.33Å; R317-E320 PolarHBondContact O-N 3.29Å; R317-D321 VanDerWaalsContact O-CB 3.26Å; R317-D321 WeakPolarHBondContact O-CB 3.45Å; R317-D321 PolarHBondContact O-N 2.98Å
318	A	89.7	Confident	92.2	Very high	36 Å²	36	98.9 Å²	98.9	30%	0.298	48%	0.479	S	S	.	.	H	α-helix	trans	-66.9	-28.8	176.7	0	0	0	0	0	113	N314 R315 I316 L324 R328	N314-A318 WeakPolarHBondContact O-CB 3.4Å; N314-A318 PolarHBondContact O-N 3.34Å; R315-A318 PolarHBondContact O-N 3.45Å; I316-A318 VanDerWaalsContact C-N 3.32Å; I316-A318 PolarHBondContact O-N 3.16Å; A318-L324 HydrophobicContact CB-CD1 3.75Å; A318-R328 PolarHBondContact O-NH2 3.15Å
319	A	88.7	Confident	91.9	Very high	48 Å²	48	105 Å²	105	40%	0.397	49%	0.491	S	S	.	.	H	α-helix	trans	-73.7	-34.8	173.6	0	0	0	0	0	111.9	R315 I316 R317 K325	R315-A319 VanDerWaalsContact O-CB 3.23Å; R315-A319 WeakPolarHBondContact O-CB 3.37Å; R315-A319 PolarHBondContact O-N 3.37Å; I316-A319 CarbonylContact O-C 3.49Å; I316-A319 WeakPolarHBondContact O-CA 3.2Å; I316-A319 WeakPolarHBondContact O-CB 3.25Å; I316-A319 PolarHBondContact O-N 2.89Å; R317-A319 VanDerWaalsContact C-N 3.26Å; R317-A319 PolarHBondContact O-N 3.33Å; A319-K325 WeakPolarHBondContact O-CE 3.38Å; A319-K325 PolarHBondContact O-NZ 2.87Å
320	E	92.5	Very high	91.6	Very high	126 Å²	126	107.1 Å²	107.1	59%	0.589	49%	0.494	S	S	*	.	H	α-helix	trans	-79.9	-39.2	179.4	-73.3	174.4	173.8	0	0	112.8	I316 R317 T322 K325	I316-E320 HydrophobicContact CG2-CG 4.33Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.43Å; I316-E320 WeakPolarHBondContact O-CG 3.49Å; I316-E320 PolarHBondContact O-N 3.35Å; R317-E320 PolarHBondContact O-N 3.29Å; E320-T322 PolarHBondContact O-N 3.36Å; E320-K325 WeakPolarHBondContact O-CE 3.47Å; E320-K325 PolarHBondContact O-NZ 3.2Å
321	D	92.1	Very high	91.3	Very high	64 Å²	64	104.4 Å²	104.4	34%	0.342	48%	0.484	S	S	.	.			trans	-50.9	117.2	-177.3	-175.2	-19.2	0	0	0	111.7	R317 D323 L324 K325	R317-D321 VanDerWaalsContact O-CB 3.26Å; R317-D321 WeakPolarHBondContact O-CB 3.45Å; R317-D321 PolarHBondContact O-N 2.98Å; D321-D323 VanDerWaalsContact C-N 3.29Å; D321-D323 PolarHBondContact O-N 3.27Å; D321-D323 WeakPolarHBondContact OD1-CB 3.33Å; D321-D323 PolarHBondContact OD1-N 2.82Å; D321-L324 HydrophobicContact CB-CB 4.09Å; D321-L324 HydrophobicContact CB-CD1 3.96Å; D321-L324 HydrophobicContact CB-CG 4.12Å; D321-L324 PolarHBondContact O-N 3.12Å; D321-L324 PolarHBondContact OD1-N 2.98Å; D321-K325 WeakPolarHBondContact O-CG 3.45Å; D321-K325 PolarHBondContact O-N 3.42Å
322	T	93.4	Very high	91.1	Very high	99 Å²	99	108.2 Å²	108.2	61%	0.607	50%	0.499	S	S	*	.	H	α-helix	trans	-64	-35.3	-177.5	47.6	0	0	0	0	112	E320 K325 R326	E320-T322 PolarHBondContact O-N 3.36Å; T322-K325 PolarHBondContact O-N 3.35Å; T322-R326 WeakPolarHBondContact O-CB 3.48Å; T322-R326 PolarHBondContact O-N 3.44Å
323	D	90.3	Very high	90.7	Very high	112 Å²	112	113.9 Å²	113.9	60%	0.599	52%	0.515	S	S	*	.	H	α-helix	trans	-72.9	-41.1	-178.3	-67.2	-19.2	0	0	0	110.1	D321 R326 Y327	D321-D323 VanDerWaalsContact C-N 3.29Å; D321-D323 PolarHBondContact O-N 3.27Å; D321-D323 WeakPolarHBondContact OD1-CB 3.33Å; D321-D323 PolarHBondContact OD1-N 2.82Å; D323-R326 WeakPolarHBondContact O-CB 3.45Å; D323-R326 PolarHBondContact O-N 3.39Å; D323-Y327 WeakPolarHBondContact O-CB 3.28Å; D323-Y327 PolarHBondContact O-N 3.06Å
324	L	88.8	Confident	90.1	Very high	70 Å²	70	115 Å²	115	37%	0.366	52%	0.524	S	S	.	.	H	α-helix	trans	-67.3	-35.5	173.1	-67.5	177.1	0	0	0	112.7	A318 D321 R326 R328	A318-L324 HydrophobicContact CB-CD1 3.75Å; D321-L324 HydrophobicContact CB-CB 4.09Å; D321-L324 HydrophobicContact CB-CD1 3.96Å; D321-L324 HydrophobicContact CB-CG 4.12Å; D321-L324 PolarHBondContact O-N 3.12Å; D321-L324 PolarHBondContact OD1-N 2.98Å; L324-R326 VanDerWaalsContact C-N 3.34Å; L324-R328 WeakPolarHBondContact O-CB 3.5Å; L324-R328 VanDerWaalsContact O-CG 3.3Å; L324-R328 WeakPolarHBondContact O-CG 3.43Å; L324-R328 PolarHBondContact O-N 3.28Å; L324-R328 PolarHBondContact O-NE 3.5Å
325	K	90.4	Very high	89.4	Confident	84 Å²	84	112.5 Å²	112.5	37%	0.365	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-39.1	170.6	-73.7	177.3	-170	170.5	0	111.9	A319 E320 D321 T322 R329	A319-K325 WeakPolarHBondContact O-CE 3.38Å; A319-K325 PolarHBondContact O-NZ 2.87Å; E320-K325 WeakPolarHBondContact O-CE 3.47Å; E320-K325 PolarHBondContact O-NZ 3.2Å; D321-K325 WeakPolarHBondContact O-CG 3.45Å; D321-K325 PolarHBondContact O-N 3.42Å; T322-K325 PolarHBondContact O-N 3.35Å; K325-R329 WeakPolarHBondContact O-CG 3.14Å; K325-R329 PolarHBondContact O-N 3.49Å; K325-R329 PolarHBondContact O-NE 2.96Å
326	R	88.5	Confident	88.6	Confident	191 Å²	191	108.6 Å²	108.6	72%	0.721	52%	0.516	S	S	*	.	H	α-helix	trans	-69.1	-45.2	178.4	-166.4	179.8	-165.1	-176.1	3.4	110.8	T322 D323 L324 R329 Y330	T322-R326 WeakPolarHBondContact O-CB 3.48Å; T322-R326 PolarHBondContact O-N 3.44Å; D323-R326 WeakPolarHBondContact O-CB 3.45Å; D323-R326 PolarHBondContact O-N 3.39Å; L324-R326 VanDerWaalsContact C-N 3.34Å; R326-R329 WeakPolarHBondContact O-CB 3.37Å; R326-R329 PolarHBondContact O-N 3.32Å; R326-Y330 PolarHBondContact O-N 3.02Å
327	Y	86.9	Confident	87.6	Confident	126 Å²	126	107.7 Å²	107.7	49%	0.494	52%	0.52	S	S	.	.	H	α-helix	trans	-60.5	-46.8	175.9	-178.2	-103.2	0	0	0	111.9	D323 R329 Y330 T331	D323-Y327 WeakPolarHBondContact O-CB 3.28Å; D323-Y327 PolarHBondContact O-N 3.06Å; Y327-R329 VanDerWaalsContact C-N 3.29Å; Y327-R329 PolarHBondContact O-N 3.14Å; Y327-Y330 WeakPolarHBondContact O-CB 3.5Å; Y327-Y330 PolarHBondContact O-N 3.07Å; Y327-Y330 VanDerWaalsContact O-N 3.1Å; Y327-T331 HydrophobicContact CD1-CG2 4.12Å; Y327-T331 HydrophobicContact CD2-CG2 4.32Å; Y327-T331 HydrophobicContact CE1-CG2 3.66Å; Y327-T331 HydrophobicContact CE2-CG2 3.89Å; Y327-T331 HydrophobicContact CG-CG2 4.43Å; Y327-T331 PolarHBondContact O-N 3.37Å; Y327-T331 PolarHBondContact O-OG1 3.36Å
328	R	88	Confident	86.6	Confident	123 Å²	123	104.3 Å²	104.3	46%	0.464	52%	0.521	S	S	.	.	H	α-helix	trans	-58.8	-36.6	174.6	-77.1	-178.1	-72.5	-173.8	-3.5	113.3	A318 L324 T331 K332	A318-R328 PolarHBondContact O-NH2 3.15Å; L324-R328 WeakPolarHBondContact O-CB 3.5Å; L324-R328 VanDerWaalsContact O-CG 3.3Å; L324-R328 WeakPolarHBondContact O-CG 3.43Å; L324-R328 PolarHBondContact O-N 3.28Å; L324-R328 PolarHBondContact O-NE 3.5Å; R328-T331 PolarHBondContact O-OG1 3.26Å; R328-K332 WeakPolarHBondContact O-CB 3.49Å; R328-K332 PolarHBondContact O-N 2.88Å; R328-K332 VanDerWaalsContact O-N 3.15Å
329	R	89.3	Confident	85.7	Confident	178 Å²	178	107.4 Å²	107.4	67%	0.672	54%	0.536	S	S	*	.	H	α-helix	trans	-69.3	-40.6	174.4	-79	-176	-93.3	-171.4	-6.1	111.9	K325 R326 Y327 R333	K325-R329 WeakPolarHBondContact O-CG 3.14Å; K325-R329 PolarHBondContact O-N 3.49Å; K325-R329 PolarHBondContact O-NE 2.96Å; R326-R329 WeakPolarHBondContact O-CB 3.37Å; R326-R329 PolarHBondContact O-N 3.32Å; Y327-R329 VanDerWaalsContact C-N 3.29Å; Y327-R329 PolarHBondContact O-N 3.14Å; R329-R333 WeakPolarHBondContact O-CB 3.46Å; R329-R333 PolarHBondContact O-N 2.83Å
330	Y	88.2	Confident	85	Confident	126 Å²	126	109.3 Å²	109.3	49%	0.494	54%	0.54	S	S	.	.	H	α-helix	trans	-62.3	-51.8	175	172.8	-94.8	0	0	0	111.3	R326 Y327 K332 R333 A334 A337	R326-Y330 PolarHBondContact O-N 3.02Å; Y327-Y330 WeakPolarHBondContact O-CB 3.5Å; Y327-Y330 PolarHBondContact O-N 3.07Å; Y327-Y330 VanDerWaalsContact O-N 3.1Å; Y330-K332 VanDerWaalsContact C-N 3.28Å; Y330-K332 PolarHBondContact O-N 2.64Å; Y330-R333 PolarHBondContact O-N 2.94Å; Y330-A334 HydrophobicContact CD2-CB 4.28Å; Y330-A334 HydrophobicContact CE1-CB 4.34Å; Y330-A334 HydrophobicContact CE2-CB 3.85Å; Y330-A334 PolarHBondContact O-N 3.31Å; Y330-A337 HydrophobicContact CE1-CB 4.39Å
331	T	88.5	Confident	84.2	Confident	36 Å²	36	109.5 Å²	109.5	22%	0.221	55%	0.545	C	S	.	.	H	α-helix	trans	-64.4	-32.1	-178.6	56.2	0	0	0	0	113.1	Y327 R328 R333 G335	Y327-T331 HydrophobicContact CD1-CG2 4.12Å; Y327-T331 HydrophobicContact CD2-CG2 4.32Å; Y327-T331 HydrophobicContact CE1-CG2 3.66Å; Y327-T331 HydrophobicContact CE2-CG2 3.89Å; Y327-T331 HydrophobicContact CG-CG2 4.43Å; Y327-T331 PolarHBondContact O-N 3.37Å; Y327-T331 PolarHBondContact O-OG1 3.36Å; R328-T331 PolarHBondContact O-OG1 3.26Å; T331-R333 VanDerWaalsContact C-N 3.32Å; T331-G335 WeakPolarHBondContact CA-O 3.49Å; T331-G335 CarbonylContact O-C 3.46Å; T331-G335 WeakPolarHBondContact O-CA 3.49Å; T331-G335 PolarHBondContact O-N 2.97Å
332	K	89.4	Confident	83.4	Confident	192 Å²	192	114.5 Å²	114.5	84%	0.835	57%	0.566	S	S	*	*	H	α-helix	trans	-67	-31.5	171.8	-171.7	176.8	-179	-179	0	112.9	R328 Y330	R328-K332 WeakPolarHBondContact O-CB 3.49Å; R328-K332 PolarHBondContact O-N 2.88Å; R328-K332 VanDerWaalsContact O-N 3.15Å; Y330-K332 VanDerWaalsContact C-N 3.28Å; Y330-K332 PolarHBondContact O-N 2.64Å
333	R	87.8	Confident	82.6	Confident	235 Å²	235	115.5 Å²	115.5	89%	0.887	57%	0.567	S	S	*	*	H	α-helix	trans	-89	-43.4	-177	-175.5	179.5	179.5	-177.3	0.2	113	R329 Y330 T331	R329-R333 WeakPolarHBondContact O-CB 3.46Å; R329-R333 PolarHBondContact O-N 2.83Å; Y330-R333 PolarHBondContact O-N 2.94Å; T331-R333 VanDerWaalsContact C-N 3.32Å
334	A	82.2	Confident	81.8	Confident	62 Å²	62	115.9 Å²	115.9	51%	0.512	57%	0.569	S	S	.	*	H	α-helix	trans	-108.5	-4.4	-171.1	0	0	0	0	0	113.5	Y330	Y330-A334 HydrophobicContact CD2-CB 4.28Å; Y330-A334 HydrophobicContact CE1-CB 4.34Å; Y330-A334 HydrophobicContact CE2-CB 3.85Å; Y330-A334 PolarHBondContact O-N 3.31Å
335	G	80.6	Confident	81	Confident	27 Å²	27	123.2 Å²	123.2	28%	0.278	60%	0.598	S	S	.	*			trans	80.1	170.9	-165.5	0	0	0	0	0	112	T331	T331-G335 WeakPolarHBondContact CA-O 3.49Å; T331-G335 CarbonylContact O-C 3.46Å; T331-G335 WeakPolarHBondContact O-CA 3.49Å; T331-G335 PolarHBondContact O-N 2.97Å
336	P	77.6	Confident	80.5	Confident	101 Å²	101	125.2 Å²	125.2	66%	0.656	61%	0.61	S	S	*	*	S	Bend	trans	-57	142.5	170.2	27	-32.9	0	0	0	108.9	S338	P336-S338 PolarHBondContact O-N 2.74Å
337	A	72.6	Confident	80.1	Confident	60 Å²	60	121.7 Å²	121.7	50%	0.496	60%	0.604	S	S	.	*			trans	-61.8	100.4	171.3	0	0	0	0	0	108.5	Y330 V339	Y330-A337 HydrophobicContact CE1-CB 4.39Å; A337-V339 PolarHBondContact O-N 3.4Å
338	S	73.1	Confident	79.8	Confident	94 Å²	94	121.5 Å²	121.5	66%	0.657	61%	0.61	S	S	*	*			trans	-81.7	108.6	165.5	54.3	0	0	0	0	106.8	P336 N340	P336-S338 PolarHBondContact O-N 2.74Å; S338-N340 PolarHBondContact O-N 3.33Å
339	V	71.4	Confident	79.3	Confident	101 Å²	101	121.4 Å²	121.4	61%	0.612	62%	0.619	S	S	*	*			trans	-79.4	107.8	163.9	-176.8	0	0	0	0	105.5	A337 L341 L344	A337-V339 PolarHBondContact O-N 3.4Å; V339-L341 PolarHBondContact O-N 3.23Å; V339-L344 HydrophobicContact CG1-CD1 3.75Å; V339-L344 HydrophobicContact CG1-CD2 4.22Å; V339-L344 HydrophobicContact CG1-CG 3.9Å
340	N	74	Confident	78.6	Confident	89 Å²	89	117.9 Å²	117.9	48%	0.476	62%	0.615	S	S	.	*			trans	-68.8	131.6	170.1	-69.3	-33.1	0	0	0	107.3	S338 E342 D343	S338-N340 PolarHBondContact O-N 3.33Å; N340-E342 PolarHBondContact O-N 2.8Å; N340-E342 VanDerWaalsContact O-N 3.14Å; N340-D343 PolarHBondContact O-N 2.92Å
341	L	74.3	Confident	78	Confident	130 Å²	130	117.3 Å²	117.3	68%	0.681	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-59	-27.5	179.4	-130.7	95.6	0	0	0	111.6	V339 D343 L344 F345	V339-L341 PolarHBondContact O-N 3.23Å; L341-D343 VanDerWaalsContact C-N 3.3Å; L341-D343 PolarHBondContact O-N 2.71Å; L341-L344 PolarHBondContact O-N 3.24Å; L341-F345 HydrophobicContact CD2-CE2 4.13Å; L341-F345 HydrophobicContact CG-CE2 4.49Å; L341-F345 WeakPolarHBondContact O-CD2 3.39Å
342	E	76.8	Confident	77.3	Confident	169 Å²	169	123.1 Å²	123.1	79%	0.79	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-65.7	-25.9	177.2	-65.2	176.9	-177.1	0	0	113.4	N340 L344	N340-E342 PolarHBondContact O-N 2.8Å; N340-E342 VanDerWaalsContact O-N 3.14Å; E342-L344 VanDerWaalsContact C-N 3.29Å; E342-L344 PolarHBondContact O-N 3.08Å
343	D	75.4	Confident	76.3	Confident	119 Å²	119	117.8 Å²	117.8	64%	0.636	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-81.3	-8.9	179.4	-61.4	-32.6	0	0	0	112.8	N340 L341	N340-D343 PolarHBondContact O-N 2.92Å; L341-D343 VanDerWaalsContact C-N 3.3Å; L341-D343 PolarHBondContact O-N 2.71Å
344	L	73.1	Confident	75.4	Confident	120 Å²	120	108.1 Å²	108.1	63%	0.628	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-95.8	-6.5	-178.1	-69.9	172.7	0	0	0	113.7	V339 L341 E342	V339-L344 HydrophobicContact CG1-CD1 3.75Å; V339-L344 HydrophobicContact CG1-CD2 4.22Å; V339-L344 HydrophobicContact CG1-CG 3.9Å; L341-L344 PolarHBondContact O-N 3.24Å; E342-L344 VanDerWaalsContact C-N 3.29Å; E342-L344 PolarHBondContact O-N 3.08Å
345	F	73.4	Confident	74.7	Confident	225 Å²	225	112.3 Å²	112.3	99%	0.987	63%	0.627	S	S	*	*			trans	-117	0	176.1	-60.8	-73.9	0	0	0	109.8	L341	L341-F345 HydrophobicContact CD2-CE2 4.13Å; L341-F345 HydrophobicContact CG-CE2 4.49Å; L341-F345 WeakPolarHBondContact O-CD2 3.39Å

Retrieved 345 of 345 residues in 193.4 ms (Link to these results)

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