A0A096ML52_PAPAN Loading...

ATP binding cassette subfamily D member 1

AlphaFold DB (A0A096N026), UniProt , Accession A0A096ML52, Species PAPAN (Papio anubis, Olive baboon), Gene ABCD1, Length 745 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	28.8	Very low	39.6	Very low	241 Å²	241	177.2 Å²	177.2	100%	1.187	87%	0.87	S	S	*	*				0	155.6	0	-80.7	-177.5	166.3	0	0	108.6
2	P	53.6	Low	40.2	Very low	121 Å²	121	166.3 Å²	166.3	79%	0.786	84%	0.838	S	S	*	*				-110.8	-156.4	-50.6	28.2	-7.2	0	0	0	107.7
3	V	35.2	Very low	41.3	Very low	132 Å²	132	157.6 Å²	157.6	80%	0.8	80%	0.802	S	S	*	*			cis	-136	166.2	-2.3	-160	0	0	0	0	107.4
4	L	42.7	Very low	42.2	Very low	159 Å²	159	152.7 Å²	152.7	83%	0.832	78%	0.784	S	S	*	*			trans	-88.6	161.4	173.2	-51.9	92.4	0	0	0	112.8
5	S	31.6	Very low	43.2	Very low	121 Å²	121	151.5 Å²	151.5	85%	0.846	78%	0.778	S	S	*	*			trans	-142.4	149.8	142.3	68.3	0	0	0	0	111.3
6	R	36.8	Very low	44.2	Very low	225 Å²	225	152.2 Å²	152.2	85%	0.849	77%	0.774	S	S	*	*			trans	-105	147.1	-177.5	-67.8	176.7	175.3	169.6	-2.8	110.9
7	P	39.3	Very low	45	Very low	130 Å²	130	154.5 Å²	154.5	84%	0.844	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-66.8	142.5	167.5	29.2	-34	0	0	0	111.5
8	R	42.4	Very low	46.1	Very low	233 Å²	233	150 Å²	150	88%	0.879	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-86.6	150.5	173.7	-75.4	179.5	171.4	175.5	-3	111.2
9	P	38.9	Very low	47.2	Very low	122 Å²	122	145.1 Å²	145.1	79%	0.792	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-72.3	140.1	-177.5	29.3	-35.4	0	0	0	113.3	R11	P9-R11 PolarHBondContact O-N 2.69Å
10	W	41.3	Very low	48.5	Very low	230 Å²	230	142.3 Å²	142.3	87%	0.871	73%	0.728	S	S	*	*			trans	-84.8	89.6	-173.4	-140.7	55.6	0	0	0	111.8	G12	W10-G12 VanDerWaalsContact C-N 3.34Å; W10-G12 PolarHBondContact O-N 2.76Å
11	R	45.2	Very low	49.6	Very low	235 Å²	235	141.1 Å²	141.1	89%	0.887	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	7.9	-175.5	-112.2	-175	-176.6	-158.4	1.2	116	P9	P9-R11 PolarHBondContact O-N 2.69Å
12	G	46.4	Very low	51.8	Low	47 Å²	47	135.7 Å²	135.7	49%	0.485	70%	0.698	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-9.6	-169.5	0	0	0	0	0	117.5	W10	W10-G12 VanDerWaalsContact C-N 3.34Å; W10-G12 PolarHBondContact O-N 2.76Å
13	S	54.4	Low	52.8	Low	53 Å²	53	132.7 Å²	132.7	37%	0.371	68%	0.684	S	S	.	*	H	α-helix	trans	-87.3	-27.8	-171	58.1	0	0	0	0	114.6	R17	S13-R17 PolarHBondContact O-N 2.74Å
14	T	54.5	Low	54.4	Low	89 Å²	89	131.8 Å²	131.8	55%	0.546	67%	0.674	S	S	.	*	H	α-helix	trans	-68.6	-50.1	-179.6	46	0	0	0	0	111.9	K16 R17 T18	T14-K16 VanDerWaalsContact C-N 3.27Å; T14-K16 PolarHBondContact O-N 2.67Å; T14-R17 PolarHBondContact O-N 2.73Å; T14-T18 PolarHBondContact O-N 2.66Å; T14-T18 PolarHBondContact O-OG1 2.72Å
15	L	57	Low	55.8	Low	134 Å²	134	126.9 Å²	126.9	70%	0.702	66%	0.656	S	S	*	*	H	α-helix	trans	-57.1	-39	-177	-117.5	99.5	0	0	0	112.9	T18 A19	L15-T18 WeakPolarHBondContact CA-OG1 3.48Å; L15-T18 PolarHBondContact O-OG1 3.36Å; L15-A19 VanDerWaalsContact O-CB 3.25Å; L15-A19 WeakPolarHBondContact O-CB 3.35Å; L15-A19 PolarHBondContact O-N 3.31Å
16	K	58.8	Low	57.9	Low	163 Å²	163	124 Å²	124	71%	0.709	64%	0.639	S	S	*	*	H	α-helix	trans	-68.7	-37.4	177.7	-67.3	-170.4	176.6	-172.9	0	112.1	T14 V20	T14-K16 VanDerWaalsContact C-N 3.27Å; T14-K16 PolarHBondContact O-N 2.67Å; K16-V20 WeakPolarHBondContact O-CG2 3.34Å; K16-V20 PolarHBondContact O-N 3.29Å
17	R	58.5	Low	59.8	Low	192 Å²	192	120.6 Å²	120.6	73%	0.725	63%	0.628	S	S	*	*	H	α-helix	trans	-69.9	-41.3	175.5	-73.2	-179	172.3	-176	-2.7	112.1	S13 T14 V20 L21	S13-R17 PolarHBondContact O-N 2.74Å; T14-R17 PolarHBondContact O-N 2.73Å; R17-V20 PolarHBondContact O-N 2.87Å; R17-L21 WeakPolarHBondContact O-CB 3.45Å; R17-L21 WeakPolarHBondContact O-CG 3.34Å; R17-L21 PolarHBondContact O-N 2.89Å
18	T	64.7	Low	61.1	Low	73 Å²	73	116 Å²	116	45%	0.448	60%	0.603	S	S	.	*	H	α-helix	trans	-67	-36.6	174.3	50.6	0	0	0	0	112.1	T14 L15 L21 L22	T14-T18 PolarHBondContact O-N 2.66Å; T14-T18 PolarHBondContact O-OG1 2.72Å; L15-T18 WeakPolarHBondContact CA-OG1 3.48Å; L15-T18 PolarHBondContact O-OG1 3.36Å; T18-L21 PolarHBondContact O-N 3.01Å; T18-L22 WeakPolarHBondContact O-CB 3.4Å; T18-L22 VanDerWaalsContact O-CG 3.32Å; T18-L22 WeakPolarHBondContact O-CG 3.36Å; T18-L22 PolarHBondContact O-N 2.82Å
19	A	67.1	Low	62.7	Low	57 Å²	57	109.6 Å²	109.6	47%	0.471	59%	0.59	S	S	.	*	H	α-helix	trans	-64.3	-42.8	174.8	0	0	0	0	0	112.3	L15 L22 A23	L15-A19 VanDerWaalsContact O-CB 3.25Å; L15-A19 WeakPolarHBondContact O-CB 3.35Å; L15-A19 PolarHBondContact O-N 3.31Å; A19-L22 PolarHBondContact O-N 2.9Å; A19-A23 VanDerWaalsContact O-CB 3.3Å; A19-A23 WeakPolarHBondContact O-CB 3.5Å; A19-A23 PolarHBondContact O-N 3.37Å
20	V	73	Confident	64.5	Low	89 Å²	89	111.1 Å²	111.1	54%	0.539	59%	0.586	S	S	.	*	H	α-helix	trans	-66.1	-40.5	175.5	170.4	0	0	0	0	111.8	K16 R17 A23 L24	K16-V20 WeakPolarHBondContact O-CG2 3.34Å; K16-V20 PolarHBondContact O-N 3.29Å; R17-V20 PolarHBondContact O-N 2.87Å; V20-A23 PolarHBondContact O-N 2.91Å; V20-L24 HydrophobicContact CG1-CD1 4.03Å; V20-L24 WeakPolarHBondContact O-CB 3.43Å; V20-L24 WeakPolarHBondContact O-CG 3.25Å; V20-L24 PolarHBondContact O-N 2.9Å
21	L	71.8	Confident	66.1	Low	118 Å²	118	106.9 Å²	106.9	62%	0.618	57%	0.574	S	S	*	*	H	α-helix	trans	-64.8	-41.7	174.7	-79.4	164.7	0	0	0	112.5	R17 T18 L24 A25	R17-L21 WeakPolarHBondContact O-CB 3.45Å; R17-L21 WeakPolarHBondContact O-CG 3.34Å; R17-L21 PolarHBondContact O-N 2.89Å; T18-L21 PolarHBondContact O-N 3.01Å; L21-L24 PolarHBondContact O-N 3.29Å; L21-A25 WeakPolarHBondContact O-CB 3.36Å; L21-A25 PolarHBondContact O-N 3.23Å
22	L	74.8	Confident	67	Low	126 Å²	126	99.7 Å²	99.7	66%	0.66	56%	0.556	S	S	*	*	H	α-helix	trans	-66.8	-37.3	174.7	-76	166.6	0	0	0	112.1	T18 A19 A25 A26	T18-L22 WeakPolarHBondContact O-CB 3.4Å; T18-L22 VanDerWaalsContact O-CG 3.32Å; T18-L22 WeakPolarHBondContact O-CG 3.36Å; T18-L22 PolarHBondContact O-N 2.82Å; A19-L22 PolarHBondContact O-N 2.9Å; L22-A25 PolarHBondContact O-N 3.43Å; L22-A26 WeakPolarHBondContact O-CB 3.38Å; L22-A26 PolarHBondContact O-N 3.36Å
23	A	73.6	Confident	68	Low	59 Å²	59	104.3 Å²	104.3	49%	0.488	56%	0.56	S	S	.	*	H	α-helix	trans	-65.8	-42.2	174.5	0	0	0	0	0	112	A19 V20 A26 Y27	A19-A23 VanDerWaalsContact O-CB 3.3Å; A19-A23 WeakPolarHBondContact O-CB 3.5Å; A19-A23 PolarHBondContact O-N 3.37Å; V20-A23 PolarHBondContact O-N 2.91Å; A23-A26 PolarHBondContact O-N 2.77Å; A23-Y27 VanDerWaalsContact O-CB 3.25Å; A23-Y27 WeakPolarHBondContact O-CB 3.37Å; A23-Y27 PolarHBondContact O-N 2.81Å
24	L	69.1	Low	68.4	Low	112 Å²	112	104.7 Å²	104.7	59%	0.586	56%	0.561	S	S	*	*	H	α-helix	trans	-66	-41.1	174.5	-76	166.9	0	0	0	112.1	V20 L21 Y27 G28	V20-L24 HydrophobicContact CG1-CD1 4.03Å; V20-L24 WeakPolarHBondContact O-CB 3.43Å; V20-L24 WeakPolarHBondContact O-CG 3.25Å; V20-L24 PolarHBondContact O-N 2.9Å; L21-L24 PolarHBondContact O-N 3.29Å; L24-Y27 PolarHBondContact O-N 2.92Å; L24-G28 PolarHBondContact O-N 2.88Å
25	A	72.8	Confident	68.8	Low	57 Å²	57	105.8 Å²	105.8	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-64.4	-45.5	174.7	0	0	0	0	0	111.7	L21 L22 G28 V29	L21-A25 WeakPolarHBondContact O-CB 3.36Å; L21-A25 PolarHBondContact O-N 3.23Å; L22-A25 PolarHBondContact O-N 3.43Å; A25-G28 PolarHBondContact O-N 3Å; A25-V29 WeakPolarHBondContact O-CG2 3.21Å; A25-V29 PolarHBondContact O-N 3.45Å
26	A	74.6	Confident	69	Low	59 Å²	59	102.9 Å²	102.9	49%	0.488	55%	0.551	S	S	.	*	H	α-helix	trans	-63.6	-40.1	176.2	0	0	0	0	0	112.1	L22 A23 V29 H30	L22-A26 WeakPolarHBondContact O-CB 3.38Å; L22-A26 PolarHBondContact O-N 3.36Å; A23-A26 PolarHBondContact O-N 2.77Å; A26-V29 PolarHBondContact O-N 3.33Å; A26-H30 VanDerWaalsContact O-CB 3.25Å; A26-H30 WeakPolarHBondContact O-CB 3.43Å; A26-H30 PolarHBondContact O-N 2.92Å
27	Y	77.1	Confident	68.7	Low	155 Å²	155	103.1 Å²	103.1	61%	0.608	55%	0.547	S	S	*	.	H	α-helix	trans	-64.6	-42.9	174.1	-175.6	-95.8	0	0	0	111.9	A23 L24 H30 K31	A23-Y27 VanDerWaalsContact O-CB 3.25Å; A23-Y27 WeakPolarHBondContact O-CB 3.37Å; A23-Y27 PolarHBondContact O-N 2.81Å; L24-Y27 PolarHBondContact O-N 2.92Å; Y27-H30 PolarHBondContact O-N 3.4Å; Y27-K31 PolarHBondContact O-N 2.97Å
28	G	66.7	Low	68.6	Low	32 Å²	32	100.9 Å²	100.9	33%	0.33	55%	0.545	S	S	.	.	H	α-helix	trans	-58.7	-50	173.2	0	0	0	0	0	112.3	L24 A25 H30 K31 V32	L24-G28 PolarHBondContact O-N 2.88Å; A25-G28 PolarHBondContact O-N 3Å; G28-H30 PolarHBondContact O-N 3.31Å; G28-K31 PolarHBondContact O-N 3.49Å; G28-V32 WeakPolarHBondContact O-CB 3.4Å; G28-V32 WeakPolarHBondContact O-CG2 3.47Å; G28-V32 PolarHBondContact O-N 2.9Å
29	V	77.6	Confident	67.9	Low	100 Å²	100	102.9 Å²	102.9	61%	0.606	56%	0.561	S	S	*	*	H	α-helix	trans	-59.5	-45.6	174.7	171.1	0	0	0	0	111	A25 A26 K31 V32 Y33	A25-V29 WeakPolarHBondContact O-CG2 3.21Å; A25-V29 PolarHBondContact O-N 3.45Å; A26-V29 PolarHBondContact O-N 3.33Å; V29-K31 VanDerWaalsContact C-N 3.27Å; V29-K31 PolarHBondContact O-N 2.82Å; V29-V32 PolarHBondContact O-N 3.03Å; V29-Y33 WeakPolarHBondContact O-CB 3.35Å; V29-Y33 PolarHBondContact O-N 3.25Å
30	H	75	Confident	66.9	Low	153 Å²	153	106.8 Å²	106.8	71%	0.708	57%	0.573	S	S	*	*	H	α-helix	trans	-62.4	-32.2	179.1	-166.9	-34.7	0	0	0	112.5	A26 Y27 G28 P34	A26-H30 VanDerWaalsContact O-CB 3.25Å; A26-H30 WeakPolarHBondContact O-CB 3.43Å; A26-H30 PolarHBondContact O-N 2.92Å; Y27-H30 PolarHBondContact O-N 3.4Å; G28-H30 PolarHBondContact O-N 3.31Å; H30-P34 WeakPolarHBondContact O-CD 3.41Å
31	K	75.4	Confident	65.4	Low	142 Å²	142	105.7 Å²	105.7	62%	0.617	57%	0.573	S	S	*	*	H	α-helix	trans	-83.1	-30.2	177.2	-136.8	-170.5	-175.9	-167.5	0	113.7	Y27 G28 V29 P34	Y27-K31 PolarHBondContact O-N 2.97Å; G28-K31 PolarHBondContact O-N 3.49Å; V29-K31 VanDerWaalsContact C-N 3.27Å; V29-K31 PolarHBondContact O-N 2.82Å; K31-P34 WeakPolarHBondContact O-CG 3.5Å
32	V	64.3	Low	63.9	Low	83 Å²	83	105.8 Å²	105.8	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-84.6	-35.3	179.7	172.8	0	0	0	0	112.5	G28 V29 L35 V36	G28-V32 WeakPolarHBondContact O-CB 3.4Å; G28-V32 WeakPolarHBondContact O-CG2 3.47Å; G28-V32 PolarHBondContact O-N 2.9Å; V29-V32 PolarHBondContact O-N 3.03Å; V32-L35 PolarHBondContact O-N 3.2Å; V32-L35 VanDerWaalsContact O-N 3.17Å; V32-V36 HydrophobicContact CG1-CG2 3.87Å; V32-V36 PolarHBondContact O-N 2.99Å; V32-V36 VanDerWaalsContact O-N 3.1Å
33	Y	67.1	Low	62.1	Low	144 Å²	144	104.9 Å²	104.9	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-51.8	-45.4	179.7	-176.8	-116.2	0	0	0	115.3	V29 L35 V36 R37	V29-Y33 WeakPolarHBondContact O-CB 3.35Å; V29-Y33 PolarHBondContact O-N 3.25Å; Y33-L35 PolarHBondContact O-N 2.95Å; Y33-V36 PolarHBondContact O-N 2.91Å; Y33-R37 VanDerWaalsContact O-CB 3.29Å; Y33-R37 WeakPolarHBondContact O-CB 3.46Å; Y33-R37 PolarHBondContact O-N 3.16Å
34	P	63.6	Low	60.1	Low	62 Å²	62	113.8 Å²	113.8	40%	0.403	61%	0.613	S	S	.	*	H	α-helix	trans	-64.4	-36.8	177.8	23.8	-34	0	0	0	113.4	H30 K31 R37 Q38	H30-P34 WeakPolarHBondContact O-CD 3.41Å; K31-P34 WeakPolarHBondContact O-CG 3.5Å; P34-R37 PolarHBondContact O-N 2.76Å; P34-Q38 WeakPolarHBondContact O-CG 3.44Å; P34-Q38 PolarHBondContact O-N 3.17Å
35	L	62	Low	58.8	Low	111 Å²	111	112.3 Å²	112.3	58%	0.581	62%	0.624	S	S	*	*	H	α-helix	trans	-66	-45.8	176.6	-80.6	156.7	0	0	0	111.6	V32 Y33 R37 Q38 C39	V32-L35 PolarHBondContact O-N 3.2Å; V32-L35 VanDerWaalsContact O-N 3.17Å; Y33-L35 PolarHBondContact O-N 2.95Å; L35-R37 VanDerWaalsContact C-N 3.3Å; L35-R37 PolarHBondContact O-N 3.46Å; L35-Q38 PolarHBondContact O-N 3.29Å; L35-C39 PolarHBondContact O-N 2.85Å; L35-C39 VanDerWaalsContact O-N 3.17Å; L35-C39 PolarHBondContact O-SG 3.2Å; L35-C39 VanDerWaalsContact O-SG 3.36Å
36	V	62	Low	56.7	Low	74 Å²	74	115.4 Å²	115.4	45%	0.448	64%	0.642	S	S	.	*	H	α-helix	trans	-62.9	-38.7	175.4	175.2	0	0	0	0	111	V32 Y33 C39 L40	V32-V36 HydrophobicContact CG1-CG2 3.87Å; V32-V36 PolarHBondContact O-N 2.99Å; V32-V36 VanDerWaalsContact O-N 3.1Å; Y33-V36 PolarHBondContact O-N 2.91Å; V36-C39 PolarHBondContact O-N 3.48Å; V36-L40 HydrophobicContact CG1-CD1 3.94Å; V36-L40 PolarHBondContact O-N 2.89Å
37	R	52.4	Low	54.8	Low	168 Å²	168	121.8 Å²	121.8	63%	0.634	66%	0.662	S	S	*	*	H	α-helix	trans	-68.1	-33.8	177	-169.1	175.6	-176.9	-171.7	1.6	113	Y33 P34 L35 L40 A41	Y33-R37 VanDerWaalsContact O-CB 3.29Å; Y33-R37 WeakPolarHBondContact O-CB 3.46Å; Y33-R37 PolarHBondContact O-N 3.16Å; P34-R37 PolarHBondContact O-N 2.76Å; L35-R37 VanDerWaalsContact C-N 3.3Å; L35-R37 PolarHBondContact O-N 3.46Å; R37-L40 PolarHBondContact O-N 3.17Å; R37-A41 PolarHBondContact O-N 2.6Å
38	Q	56.5	Low	52.4	Low	145 Å²	145	118.8 Å²	118.8	68%	0.678	67%	0.67	S	S	*	*	H	α-helix	trans	-66.7	-37.3	173	-78.1	173.5	-29	0	0	112	P34 L35 L40	P34-Q38 WeakPolarHBondContact O-CG 3.44Å; P34-Q38 PolarHBondContact O-N 3.17Å; L35-Q38 PolarHBondContact O-N 3.29Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 2.83Å
39	C	50.5	Low	50.6	Low	115 Å²	115	123.4 Å²	123.4	78%	0.777	69%	0.693	S	S	*	*	H	α-helix	trans	-72.9	-14.5	177.1	-62.7	0	0	0	0	114.5	L35 V36	L35-C39 PolarHBondContact O-N 2.85Å; L35-C39 VanDerWaalsContact O-N 3.17Å; L35-C39 PolarHBondContact O-SG 3.2Å; L35-C39 VanDerWaalsContact O-SG 3.36Å; V36-C39 PolarHBondContact O-N 3.48Å
40	L	44.8	Very low	48.3	Very low	138 Å²	138	123.6 Å²	123.6	72%	0.723	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	0.1	-176.3	-74.5	169.1	0	0	0	114.2	V36 R37 Q38	V36-L40 HydrophobicContact CG1-CD1 3.94Å; V36-L40 PolarHBondContact O-N 2.89Å; R37-L40 PolarHBondContact O-N 3.17Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 2.83Å
41	A	42.1	Very low	46	Very low	66 Å²	66	128 Å²	128	55%	0.545	72%	0.716	S	S	.	*	S	Bend	trans	-89.8	119.6	177.6	0	0	0	0	0	110.9	R37 A43	R37-A41 PolarHBondContact O-N 2.6Å; A41-A43 PolarHBondContact O-N 3.45Å
42	P	39.2	Very low	43.6	Very low	121 Å²	121	129.9 Å²	129.9	79%	0.786	73%	0.727	S	S	*	*			trans	-65.9	133	172.3	27.8	-33.3	0	0	0	109.9	R44	P42-R44 PolarHBondContact O-N 3.36Å; P42-R44 VanDerWaalsContact O-N 3.11Å
43	A	36.8	Very low	41.6	Very low	107 Å²	107	131.7 Å²	131.7	88%	0.884	74%	0.74	S	S	*	*			trans	-63.5	112.6	-169.2	0	0	0	0	0	112.8	A41	A41-A43 PolarHBondContact O-N 3.45Å
44	R	33.2	Very low	39.6	Very low	246 Å²	246	131.4 Å²	131.4	93%	0.928	75%	0.754	S	S	*	*			trans	-97.3	114.3	157.7	-79.2	-174.9	169.1	-179.2	-3.8	108.2	P42	P42-R44 PolarHBondContact O-N 3.36Å; P42-R44 VanDerWaalsContact O-N 3.11Å
45	G	41.1	Very low	37.7	Very low	80 Å²	80	137.5 Å²	137.5	83%	0.825	78%	0.777	S	S	*	*			trans	-69.4	142.5	175.4	0	0	0	0	0	111.8
46	S	28.5	Very low	35.9	Very low	122 Å²	122	141.2 Å²	141.2	85%	0.853	79%	0.791	S	S	*	*			trans	-152.7	159	158.5	-146.7	0	0	0	0	109.2
47	Q	34.7	Very low	34.2	Very low	194 Å²	194	141 Å²	141	91%	0.907	80%	0.797	S	S	*	*			trans	-77.7	154.6	-162	-66.1	149.8	-30.5	0	0	113.9
48	A	26.6	Very low	33	Very low	92 Å²	92	138.7 Å²	138.7	76%	0.76	81%	0.807	S	S	*	*			trans	-126.6	151.4	164.2	0	0	0	0	0	108.7
49	P	29.1	Very low	31.4	Very low	128 Å²	128	133.3 Å²	133.3	83%	0.831	79%	0.79	S	S	*	*			trans	-77.7	160.2	-163.7	31.1	-36.7	0	0	0	114
50	A	29.8	Very low	30.3	Very low	104 Å²	104	130.6 Å²	130.6	86%	0.86	78%	0.776	S	S	*	*			trans	-62.4	135.7	-178.9	0	0	0	0	0	113
51	R	26.3	Very low	29.4	Very low	247 Å²	247	128.9 Å²	128.9	93%	0.932	78%	0.782	S	S	*	*			trans	-123	152.9	153.1	-86.9	-177.3	165.3	175.2	-5.4	108
52	E	25.6	Very low	28.9	Very low	180 Å²	180	130.2 Å²	130.2	84%	0.841	79%	0.793	S	S	*	*			trans	-68.1	147.9	-172.3	-65.1	166.4	134.1	0	0	111.7	T54	E52-T54 PolarHBondContact O-N 3.24Å
53	P	22.7	Very low	28.6	Very low	121 Å²	121	128.4 Å²	128.4	79%	0.786	79%	0.788	S	S	*	*			trans	-81.7	86.5	-170.5	32.9	-35.7	0	0	0	111.9	Q55	P53-Q55 PolarHBondContact O-N 3.33Å
54	T	25	Very low	28.6	Very low	138 Å²	138	131 Å²	131	85%	0.847	78%	0.779	S	S	*	*			trans	-60.7	118.2	158.2	-35.5	0	0	0	0	107.9	E52 E56	E52-T54 PolarHBondContact O-N 3.24Å; T54-E56 PolarHBondContact O-N 2.86Å
55	Q	23.2	Very low	29	Very low	190 Å²	190	121.4 Å²	121.4	89%	0.888	75%	0.753	S	S	*	*			trans	-67.4	106.9	-170.7	-67.4	171.5	-61.1	0	0	111.3	P53 A57	P53-Q55 PolarHBondContact O-N 3.33Å; Q55-A57 PolarHBondContact O-N 2.86Å; Q55-A57 VanDerWaalsContact O-N 3.16Å
56	E	24.1	Very low	29.4	Very low	190 Å²	190	118.7 Å²	118.7	89%	0.888	73%	0.725	S	S	*	*			trans	-69.3	106.9	167.5	-70.5	-168.1	142	0	0	109.3	T54 S58	T54-E56 PolarHBondContact O-N 2.86Å; E56-S58 PolarHBondContact O-N 3.3Å
57	A	25.2	Very low	30.8	Very low	69 Å²	69	118.8 Å²	118.8	57%	0.57	71%	0.714	S	S	*	*			trans	-63	114	176.4	0	0	0	0	0	110.7	Q55 G59 E441	Q55-A57 PolarHBondContact O-N 2.86Å; Q55-A57 VanDerWaalsContact O-N 3.16Å; A57-G59 PolarHBondContact O-N 2.83Å; A57-E441 WeakPolarHBondContact CB-OE1 3.46Å
58	S	28.7	Very low	32.5	Very low	119 Å²	119	112.9 Å²	112.9	83%	0.832	69%	0.688	S	S	*	*			trans	-77.1	32.8	175.8	52.6	0	0	0	0	113.2	E56	E56-S58 PolarHBondContact O-N 3.3Å
59	G	22.7	Very low	35	Very low	32 Å²	32	119 Å²	119	33%	0.33	69%	0.692	S	S	.	*			trans	-77.1	120.6	-176.5	0	0	0	0	0	112.9	A57	A57-G59 PolarHBondContact O-N 2.83Å
60	A	26	Very low	37.6	Very low	59 Å²	59	116.2 Å²	116.2	49%	0.488	67%	0.672	S	S	.	*			trans	57.4	114.2	179.8	0	0	0	0	0	116	A62 L440	A60-A62 PolarHBondContact O-N 3.3Å; A60-L440 HydrophobicContact CB-CD1 4.06Å; A60-L440 HydrophobicContact CB-CD2 3.97Å
61	A	26.5	Very low	40.2	Very low	102 Å²	102	112.2 Å²	112.2	84%	0.843	64%	0.635	S	S	*	*			trans	-61.6	102.3	163.5	0	0	0	0	0	110	A63	A61-A63 PolarHBondContact O-N 3.14Å
62	A	31.8	Very low	43.1	Very low	94 Å²	94	105 Å²	105	78%	0.777	62%	0.615	S	S	*	*			trans	-54.1	104.1	173.2	0	0	0	0	0	109.1	A60 K64	A60-A62 PolarHBondContact O-N 3.3Å; A62-K64 PolarHBondContact O-N 2.82Å
63	A	33.3	Very low	46.2	Very low	82 Å²	82	102.8 Å²	102.8	68%	0.678	60%	0.604	S	S	*	*			trans	-66.6	97.6	-170.1	0	0	0	0	0	109.3	A61 A65	A61-A63 PolarHBondContact O-N 3.14Å; A63-A65 PolarHBondContact O-N 2.84Å
64	K	36.5	Very low	49.5	Very low	161 Å²	161	99.7 Å²	99.7	70%	0.7	58%	0.577	S	S	*	*			trans	-26.4	118.2	-169.5	-67.7	179.1	179	178.2	0	112.3	A62 G66 N68	A62-K64 PolarHBondContact O-N 2.82Å; K64-G66 PolarHBondContact O-N 2.86Å; K64-N68 PolarHBondContact O-ND2 2.6Å
65	A	41.1	Very low	52.7	Low	45 Å²	45	94.4 Å²	94.4	37%	0.372	54%	0.544	S	S	.	.	S	Bend	trans	-73.5	49.4	-174.3	0	0	0	0	0	113.7	A63	A63-A65 PolarHBondContact O-N 2.84Å
66	G	49.9	Very low	56	Low	24 Å²	24	89.8 Å²	89.8	25%	0.247	52%	0.524	C	S	.	.	S	Bend	trans	-125.5	177.7	170.5	0	0	0	0	0	110.8	K64 N68	K64-G66 PolarHBondContact O-N 2.86Å; G66-N68 PolarHBondContact O-N 2.86Å
67	M	58.2	Low	59.3	Low	124 Å²	124	84.1 Å²	84.1	61%	0.611	50%	0.495	S	S	*	.	S	Bend	trans	-72.3	67	-171.1	-164.1	-179.5	69.4	0	0	113.7	F71 V409	M67-F71 HydrophobicContact CB-CD1 4.47Å; M67-F71 HydrophobicContact CG-CD1 3.73Å; M67-F71 HydrophobicContact CG-CE1 3.82Å; M67-V409 HydrophobicContact SD-CG1 4.31Å
68	N	71.3	Confident	62.5	Low	69 Å²	69	80.8 Å²	80.8	37%	0.369	47%	0.468	S	S	.	.			trans	-77.8	160.9	-179.3	-75.6	-49	0	0	0	112.8	K64 G66 V70 F71 L72	K64-N68 PolarHBondContact O-ND2 2.6Å; G66-N68 PolarHBondContact O-N 2.86Å; N68-V70 PolarHBondContact O-N 2.85Å; N68-V70 VanDerWaalsContact O-N 3.17Å; N68-F71 WeakPolarHBondContact O-CB 3.27Å; N68-F71 PolarHBondContact O-N 2.81Å; N68-L72 PolarHBondContact O-N 2.98Å
69	R	79.1	Confident	65.5	Low	221 Å²	221	77.6 Å²	77.6	83%	0.834	44%	0.441	S	S	*	.	H	α-helix	trans	-53.3	-35.9	171.7	-69.3	-177.6	177.3	176.3	-1.1	112.5	L72 Q73	R69-L72 PolarHBondContact O-N 3.09Å; R69-Q73 WeakPolarHBondContact O-CG 3.42Å; R69-Q73 PolarHBondContact O-N 3.1Å
70	V	82.7	Confident	68.7	Low	70 Å²	70	84 Å²	84	42%	0.424	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-41.5	175.5	-179	0	0	0	0	112	N68 Q73 R74	N68-V70 PolarHBondContact O-N 2.85Å; N68-V70 VanDerWaalsContact O-N 3.17Å; V70-Q73 PolarHBondContact O-N 3.35Å; V70-R74 HydrophobicContact CG1-CG 4.38Å; V70-R74 VanDerWaalsContact O-CG 3.3Å; V70-R74 WeakPolarHBondContact O-CG 3.46Å; V70-R74 PolarHBondContact O-N 2.89Å
71	F	85.2	Confident	71.7	Confident	20 Å²	20	83.4 Å²	83.4	9%	0.088	44%	0.444	C	S	.	.	H	α-helix	trans	-61	-47	175.3	156.2	-106.8	0	0	0	111	M67 N68 Q73 R74 L75 V409 A413 T416	M67-F71 HydrophobicContact CB-CD1 4.47Å; M67-F71 HydrophobicContact CG-CD1 3.73Å; M67-F71 HydrophobicContact CG-CE1 3.82Å; N68-F71 WeakPolarHBondContact O-CB 3.27Å; N68-F71 PolarHBondContact O-N 2.81Å; F71-Q73 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 3.19Å; F71-R74 PolarHBondContact O-N 3.08Å; F71-L75 HydrophobicContact CE1-CD2 4.4Å; F71-L75 HydrophobicContact CE2-CB 4.25Å; F71-L75 HydrophobicContact CE2-CD2 4.2Å; F71-L75 HydrophobicContact CZ-CD2 3.78Å; F71-L75 WeakPolarHBondContact O-CB 3.5Å; F71-L75 PolarHBondContact O-N 2.93Å; F71-V409 HydrophobicContact CE1-CG1 4.48Å; F71-A413 HydrophobicContact CD2-CB 3.61Å; F71-A413 VanDerWaalsContact CE2-CA 3.49Å; F71-A413 HydrophobicContact CE2-CB 3.76Å; F71-A413 HydrophobicContact CG-CB 4.1Å; F71-A413 HydrophobicContact CZ-CB 4.35Å; F71-T416 HydrophobicContact CD2-CG2 3.88Å; F71-T416 HydrophobicContact CE2-CG2 4.07Å
72	L	86.8	Confident	74.7	Confident	95 Å²	95	78.6 Å²	78.6	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-39	177.3	-78.6	160.9	0	0	0	112.5	N68 R69 L76	N68-L72 PolarHBondContact O-N 2.98Å; R69-L72 PolarHBondContact O-N 3.09Å; L72-L76 VanDerWaalsContact O-CB 3.29Å; L72-L76 WeakPolarHBondContact O-CB 3.44Å; L72-L76 PolarHBondContact O-N 2.88Å
73	Q	90.4	Very high	77.4	Confident	133 Å²	133	76.8 Å²	76.8	62%	0.621	38%	0.378	S	S	*	.	H	α-helix	trans	-64.9	-46.8	174.7	-73.4	168.5	-28.1	0	0	112.3	R69 V70 F71 L76 W77	R69-Q73 WeakPolarHBondContact O-CG 3.42Å; R69-Q73 PolarHBondContact O-N 3.1Å; V70-Q73 PolarHBondContact O-N 3.35Å; F71-Q73 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 3.19Å; Q73-L76 PolarHBondContact O-N 3.36Å; Q73-W77 PolarHBondContact O-N 2.94Å
74	R	91.8	Very high	79.6	Confident	57 Å²	57	76.2 Å²	76.2	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-44.1	176.9	-69.3	-178.2	170.8	-179.6	-7.5	111.8	V70 F71 W77 L78 T416 H420	V70-R74 HydrophobicContact CG1-CG 4.38Å; V70-R74 VanDerWaalsContact O-CG 3.3Å; V70-R74 WeakPolarHBondContact O-CG 3.46Å; V70-R74 PolarHBondContact O-N 2.89Å; F71-R74 PolarHBondContact O-N 3.08Å; R74-W77 WeakPolarHBondContact O-CB 3.14Å; R74-W77 PolarHBondContact O-N 3.4Å; R74-L78 PolarHBondContact O-N 3.4Å; R74-T416 HydrophobicContact CB-CG2 3.73Å; R74-H420 HydrophobicContact CB-CB 4.15Å; R74-H420 HydrophobicContact CG-CB 4.25Å; R74-H420 VanDerWaalsContact CG-CD2 3.45Å; R74-H420 WeakPolarHBondContact CG-CD2 3.08Å; R74-H420 PolarHBondContact NE-CD2 2.96Å
75	L	92.3	Very high	81.9	Confident	27 Å²	27	77.9 Å²	77.9	14%	0.141	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-46	176.8	-177.1	63.9	0	0	0	111.3	F71 W77 L78 L79 F204 L412 T416	F71-L75 HydrophobicContact CE1-CD2 4.4Å; F71-L75 HydrophobicContact CE2-CB 4.25Å; F71-L75 HydrophobicContact CE2-CD2 4.2Å; F71-L75 HydrophobicContact CZ-CD2 3.78Å; F71-L75 WeakPolarHBondContact O-CB 3.5Å; F71-L75 PolarHBondContact O-N 2.93Å; L75-W77 PolarHBondContact O-N 3.03Å; L75-L78 PolarHBondContact O-N 2.98Å; L75-L79 HydrophobicContact CD1-CD1 4.46Å; L75-L79 HydrophobicContact CD1-CG 4.37Å; L75-L79 HydrophobicContact CG-CD1 3.94Å; L75-L79 HydrophobicContact CG-CG 4.32Å; L75-L79 WeakPolarHBondContact O-CB 3.3Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.16Å; L75-F204 HydrophobicContact CD1-CE2 3.95Å; L75-F204 HydrophobicContact CD1-CZ 4.08Å; L75-L412 HydrophobicContact CD1-CD2 4.42Å; L75-T416 HydrophobicContact CB-CG2 4.05Å
76	L	91.9	Very high	83.6	Confident	93 Å²	93	81.9 Å²	81.9	49%	0.487	39%	0.389	S	S	.	.	H	α-helix	trans	-61	-35.4	177	-164.1	89.3	0	0	0	111.9	L72 Q73 R80	L72-L76 VanDerWaalsContact O-CB 3.29Å; L72-L76 WeakPolarHBondContact O-CB 3.44Å; L72-L76 PolarHBondContact O-N 2.88Å; Q73-L76 PolarHBondContact O-N 3.36Å; L76-R80 WeakPolarHBondContact O-CG 3.43Å; L76-R80 PolarHBondContact O-N 2.79Å; L76-R80 VanDerWaalsContact O-N 3.16Å
77	W	93.4	Very high	85.1	Confident	70 Å²	70	88.1 Å²	88.1	27%	0.265	42%	0.416	S	S	.	.	H	α-helix	trans	-66.4	-47.1	174.7	-173.2	91.6	0	0	0	111.8	Q73 R74 L75 L79 R80 L81 H420 F423	Q73-W77 PolarHBondContact O-N 2.94Å; R74-W77 WeakPolarHBondContact O-CB 3.14Å; R74-W77 PolarHBondContact O-N 3.4Å; L75-W77 PolarHBondContact O-N 3.03Å; W77-L79 PolarHBondContact O-N 3.04Å; W77-R80 WeakPolarHBondContact O-CB 3.32Å; W77-R80 PolarHBondContact O-N 3.11Å; W77-L81 HydrophobicContact CE3-CD1 4.05Å; W77-L81 HydrophobicContact CH2-CD1 3.66Å; W77-L81 HydrophobicContact CZ2-CD1 4.33Å; W77-L81 HydrophobicContact CZ3-CD1 3.51Å; W77-L81 PolarHBondContact O-N 3.12Å; W77-H420 AromaticContact CD2-ND1 3.85Å; W77-H420 AromaticContact CE3-ND1 3.38Å; W77-H420 AromaticContact CZ3-ND1 3.87Å; W77-F423 HydrophobicContact CH2-CB 3.65Å; W77-F423 HydrophobicContact CH2-CD2 4.46Å; W77-F423 HydrophobicContact CH2-CG 4.08Å; W77-F423 HydrophobicContact CZ3-CB 3.8Å; W77-F423 HydrophobicContact CZ3-CD2 4.01Å; W77-F423 HydrophobicContact CZ3-CG 4.07Å
78	L	92.9	Very high	86.5	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-37.5	174.4	-67.4	175	0	0	0	112.5	R74 L75 R80 L81 L82 F204 T416 V419 H420 F423	R74-L78 PolarHBondContact O-N 3.4Å; L75-L78 PolarHBondContact O-N 2.98Å; L78-R80 VanDerWaalsContact C-N 3.28Å; L78-R80 PolarHBondContact O-N 2.94Å; L78-L81 HydrophobicContact CD2-CD1 4.38Å; L78-L81 WeakPolarHBondContact O-CB 3.48Å; L78-L81 PolarHBondContact O-N 2.87Å; L78-L81 VanDerWaalsContact O-N 3.09Å; L78-L82 PolarHBondContact O-N 3.12Å; L78-L82 VanDerWaalsContact O-N 3.13Å; L78-F204 HydrophobicContact CB-CE1 4.13Å; L78-F204 HydrophobicContact CB-CE2 4.48Å; L78-F204 HydrophobicContact CB-CZ 3.65Å; L78-F204 HydrophobicContact CD1-CD2 4.23Å; L78-F204 HydrophobicContact CD1-CE1 4.13Å; L78-F204 HydrophobicContact CD1-CE2 3.56Å; L78-F204 HydrophobicContact CD1-CZ 3.51Å; L78-F204 HydrophobicContact CG-CZ 4.2Å; L78-T416 HydrophobicContact CD1-CG2 4.16Å; L78-V419 HydrophobicContact CD1-CB 4.3Å; L78-V419 HydrophobicContact CD1-CG1 4.15Å; L78-V419 HydrophobicContact CD2-CG1 3.93Å; L78-H420 HydrophobicContact CD1-CB 4.37Å; L78-F423 HydrophobicContact CD2-CD2 3.85Å; L78-F423 HydrophobicContact CD2-CE2 4.03Å
79	L	91.1	Very high	87.2	Confident	52 Å²	52	89.6 Å²	89.6	27%	0.272	41%	0.414	S	S	.	.	H	α-helix	trans	-63	-31.9	175.5	-73.6	169.4	0	0	0	112.5	L75 W77 L81 L82 F83 V208	L75-L79 HydrophobicContact CD1-CD1 4.46Å; L75-L79 HydrophobicContact CD1-CG 4.37Å; L75-L79 HydrophobicContact CG-CD1 3.94Å; L75-L79 HydrophobicContact CG-CG 4.32Å; L75-L79 WeakPolarHBondContact O-CB 3.3Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.16Å; W77-L79 PolarHBondContact O-N 3.04Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 2.82Å; L79-L82 HydrophobicContact CD2-CD1 4.35Å; L79-L82 PolarHBondContact O-N 3.23Å; L79-F83 HydrophobicContact CD2-CE2 4.3Å; L79-F83 WeakPolarHBondContact O-CD2 3.31Å; L79-F83 PolarHBondContact O-N 3.27Å; L79-V208 HydrophobicContact CD2-CG1 4.39Å
80	R	90.5	Very high	87.7	Confident	166 Å²	166	79.6 Å²	79.6	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-67.7	-29.7	173	-71.3	167.1	-179.7	-173.2	-0.7	112.9	L76 W77 L78 F83	L76-R80 WeakPolarHBondContact O-CG 3.43Å; L76-R80 PolarHBondContact O-N 2.79Å; L76-R80 VanDerWaalsContact O-N 3.16Å; W77-R80 WeakPolarHBondContact O-CB 3.32Å; W77-R80 PolarHBondContact O-N 3.11Å; L78-R80 VanDerWaalsContact C-N 3.28Å; L78-R80 PolarHBondContact O-N 2.94Å; R80-F83 CarbonylContact O-C 3.58Å
81	L	89.2	Confident	88	Confident	47 Å²	47	78 Å²	78	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-74	-33.5	172.7	-68.1	171	0	0	0	112.2	W77 L78 L79 L166	W77-L81 HydrophobicContact CE3-CD1 4.05Å; W77-L81 HydrophobicContact CH2-CD1 3.66Å; W77-L81 HydrophobicContact CZ2-CD1 4.33Å; W77-L81 HydrophobicContact CZ3-CD1 3.51Å; W77-L81 PolarHBondContact O-N 3.12Å; L78-L81 HydrophobicContact CD2-CD1 4.38Å; L78-L81 WeakPolarHBondContact O-CB 3.48Å; L78-L81 PolarHBondContact O-N 2.87Å; L78-L81 VanDerWaalsContact O-N 3.09Å; L79-L81 VanDerWaalsContact C-N 3.32Å; L79-L81 PolarHBondContact O-N 2.82Å; L81-L166 HydrophobicContact CB-CD2 4.37Å
82	L	88.9	Confident	88.3	Confident	0 Å²	0	79 Å²	79	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-70.7	-37.3	172.8	-64.1	-175.1	0	0	0	112.6	L78 L79 P84 F162 L166 F204 V208	L78-L82 PolarHBondContact O-N 3.12Å; L78-L82 VanDerWaalsContact O-N 3.13Å; L79-L82 HydrophobicContact CD2-CD1 4.35Å; L79-L82 PolarHBondContact O-N 3.23Å; L82-P84 VanDerWaalsContact C-CD 3.46Å; L82-P84 VanDerWaalsContact O-CD 3.3Å; L82-P84 WeakPolarHBondContact O-CD 3.49Å; L82-F162 HydrophobicContact CB-CD1 4.19Å; L82-F162 HydrophobicContact CB-CE1 4.34Å; L82-F162 HydrophobicContact CD1-CB 4.21Å; L82-F162 HydrophobicContact CD1-CD1 3.96Å; L82-F162 HydrophobicContact CD1-CD2 3.96Å; L82-F162 HydrophobicContact CD1-CE1 4.26Å; L82-F162 HydrophobicContact CD1-CE2 4.27Å; L82-F162 HydrophobicContact CD1-CG 3.79Å; L82-F162 HydrophobicContact CD1-CZ 4.4Å; L82-F162 HydrophobicContact CD2-CB 3.64Å; L82-F162 HydrophobicContact CD2-CD1 3.9Å; L82-F162 HydrophobicContact CD2-CG 3.9Å; L82-F162 HydrophobicContact CG-CD1 4.25Å; L82-F162 HydrophobicContact CG-CG 4.38Å; L82-L166 HydrophobicContact CD2-CD1 3.91Å; L82-L166 HydrophobicContact CD2-CD2 3.95Å; L82-L166 HydrophobicContact CD2-CG 3.66Å; L82-F204 HydrophobicContact CD1-CE1 4.33Å; L82-V208 HydrophobicContact CD1-CG1 4.41Å
83	F	88.8	Confident	88.6	Confident	56 Å²	56	76 Å²	76	25%	0.246	37%	0.367	C	S	.	.			trans	-121.4	71.6	-176.2	-59.3	-67.4	0	0	0	112.4	L79 R80 R85 E90 T91 L94 F162	L79-F83 HydrophobicContact CD2-CE2 4.3Å; L79-F83 WeakPolarHBondContact O-CD2 3.31Å; L79-F83 PolarHBondContact O-N 3.27Å; R80-F83 CarbonylContact O-C 3.58Å; F83-R85 VanDerWaalsContact C-N 3.3Å; F83-R85 PolarHBondContact O-N 3.15Å; F83-E90 HydrophobicContact CD1-CB 4.2Å; F83-E90 HydrophobicContact CE1-CB 3.99Å; F83-T91 HydrophobicContact CD1-CG2 3.51Å; F83-T91 HydrophobicContact CE1-CG2 3.97Å; F83-T91 HydrophobicContact CG-CG2 4.42Å; F83-L94 HydrophobicContact CE1-CD2 4.3Å; F83-L94 HydrophobicContact CZ-CD2 3.94Å; F83-F162 AromaticContact CE1-CE1 3.97Å; F83-F162 HydrophobicContact CE1-CE1 3.97Å; F83-F162 HydrophobicContact CE1-CZ 4.38Å; F83-F162 HydrophobicContact CE2-CE1 4.25Å; F83-F162 HydrophobicContact CE2-CZ 4.19Å; F83-F162 AromaticContact CZ-CE1 3.6Å; F83-F162 HydrophobicContact CZ-CE1 3.6Å; F83-F162 AromaticContact CZ-CZ 3.61Å; F83-F162 HydrophobicContact CZ-CZ 3.61Å
84	P	79.4	Confident	88.7	Confident	70 Å²	70	71.4 Å²	71.4	46%	0.455	35%	0.347	S	S	.	.	S	Bend	trans	-73.2	-16.7	-174.9	29.6	-36.5	0	0	0	114.4	L82	L82-P84 VanDerWaalsContact C-CD 3.46Å; L82-P84 VanDerWaalsContact O-CD 3.3Å; L82-P84 WeakPolarHBondContact O-CD 3.49Å
85	R	84.6	Confident	88.8	Confident	196 Å²	196	71.4 Å²	71.4	74%	0.74	36%	0.36	S	S	*	.	S	Bend	trans	-146.3	152.8	172.4	-64.7	-175.5	177.6	178	-1.8	109.9	F83 L87	F83-R85 VanDerWaalsContact C-N 3.3Å; F83-R85 PolarHBondContact O-N 3.15Å; R85-L87 PolarHBondContact O-N 2.94Å
86	V	77.1	Confident	88.9	Confident	130 Å²	130	74.9 Å²	74.9	79%	0.788	38%	0.378	S	S	*	.	S	Bend	trans	-63.8	-38.9	-178.9	-173.5	0	0	0	0	112	T91	V86-T91 WeakPolarHBondContact O-CB 3.47Å; V86-T91 WeakPolarHBondContact O-CG2 3.39Å; V86-T91 PolarHBondContact O-OG1 3.32Å
87	L	81.8	Confident	88.9	Confident	155 Å²	155	70.5 Å²	70.5	81%	0.812	36%	0.355	S	S	*	.	S	Bend	trans	-93.7	112	164.6	-76.6	83.9	0	0	0	109.1	R85	R85-L87 PolarHBondContact O-N 2.94Å
88	C	86.4	Confident	89	Confident	31 Å²	31	68.6 Å²	68.6	21%	0.209	35%	0.352	C	S	.	.	S	Bend	trans	-150	162.4	174.6	-91	0	0	0	0	109.1	E90 T91 G92	C88-E90 WeakPolarHBondContact CB-OE2 3.29Å; C88-E90 PolarHBondContact O-N 3.06Å; C88-T91 HydrophobicContact CB-CG2 4.5Å; C88-T91 PolarHBondContact N-OG1 3.5Å; C88-T91 PolarHBondContact O-N 3.26Å; C88-T91 PolarHBondContact O-OG1 2.97Å; C88-G92 PolarHBondContact O-N 3.49Å; C88-G92 VanDerWaalsContact O-N 3.08Å
89	R	87.1	Confident	89	Confident	192 Å²	192	71.3 Å²	71.3	73%	0.725	37%	0.374	S	S	*	.	H	α-helix	trans	-59.4	-35.3	176	-179	176.9	175.8	175.4	-1.8	111	G92 L93	R89-G92 PolarHBondContact O-N 2.94Å; R89-L93 HydrophobicContact CG-CD1 4.36Å; R89-L93 WeakPolarHBondContact O-CG 3.04Å; R89-L93 PolarHBondContact O-N 3.01Å
90	E	89.3	Confident	89.2	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.056	37%	0.366	C	S	.	.	H	α-helix	trans	-69	-38.7	179.7	-61.8	74.7	-171.1	0	0	112	F83 C88 L94 R165	F83-E90 HydrophobicContact CD1-CB 4.2Å; F83-E90 HydrophobicContact CE1-CB 3.99Å; C88-E90 WeakPolarHBondContact CB-OE2 3.29Å; C88-E90 PolarHBondContact O-N 3.06Å; E90-L94 WeakPolarHBondContact O-CB 2.97Å; E90-L94 PolarHBondContact O-N 3.42Å; E90-R165 IonicContact OE1-CZ 3.91Å; E90-R165 VanDerWaalsContact OE1-CZ 3.29Å; E90-R165 IonicContact OE1-NE 3.57Å; E90-R165 PolarHBondContact OE1-NE 3.36Å; E90-R165 IonicContact OE1-NH2 2.85Å; E90-R165 PolarHBondContact OE1-NH2 2.91Å; E90-R165 IonicContact OE2-CZ 2.79Å; E90-R165 IonicContact OE2-NE 2.71Å; E90-R165 IonicContact OE2-NH2 3.05Å; E90-R165 PolarHBondContact OE2-NH2 3.01Å
91	T	90.1	Very high	89.2	Confident	35 Å²	35	61.5 Å²	61.5	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-73.7	-32.4	174.5	57.6	0	0	0	0	111.9	F83 V86 C88 L94 A95	F83-T91 HydrophobicContact CD1-CG2 3.51Å; F83-T91 HydrophobicContact CE1-CG2 3.97Å; F83-T91 HydrophobicContact CG-CG2 4.42Å; V86-T91 WeakPolarHBondContact O-CB 3.47Å; V86-T91 WeakPolarHBondContact O-CG2 3.39Å; V86-T91 PolarHBondContact O-OG1 3.32Å; C88-T91 HydrophobicContact CB-CG2 4.5Å; C88-T91 PolarHBondContact N-OG1 3.5Å; C88-T91 PolarHBondContact O-N 3.26Å; C88-T91 PolarHBondContact O-OG1 2.97Å; T91-L94 PolarHBondContact O-N 2.97Å; T91-A95 WeakPolarHBondContact O-CB 3.35Å; T91-A95 PolarHBondContact O-N 2.59Å
92	G	91.6	Very high	89.4	Confident	42 Å²	42	61.8 Å²	61.8	43%	0.433	34%	0.34	S	S	.	.	H	α-helix	trans	-64	-45.1	170	0	0	0	0	0	113.1	C88 R89 A95 L96	C88-G92 PolarHBondContact O-N 3.49Å; C88-G92 VanDerWaalsContact O-N 3.08Å; R89-G92 PolarHBondContact O-N 2.94Å; G92-A95 PolarHBondContact O-N 2.9Å; G92-L96 WeakPolarHBondContact O-CB 3.38Å; G92-L96 PolarHBondContact O-N 3.29Å
93	L	92.1	Very high	89.6	Confident	31 Å²	31	64.3 Å²	64.3	16%	0.162	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-44	173.4	-77.4	169.3	0	0	0	111.8	R89 L96 H97 L154 Q157 L158	R89-L93 HydrophobicContact CG-CD1 4.36Å; R89-L93 WeakPolarHBondContact O-CG 3.04Å; R89-L93 PolarHBondContact O-N 3.01Å; L93-L96 PolarHBondContact O-N 2.96Å; L93-H97 WeakPolarHBondContact O-CB 3.32Å; L93-H97 PolarHBondContact O-N 2.72Å; L93-L154 HydrophobicContact CD2-CD2 4.49Å; L93-Q157 HydrophobicContact CD2-CB 4.49Å; L93-L158 HydrophobicContact CB-CD1 4.26Å
94	L	92.8	Very high	89.6	Confident	37 Å²	37	64.5 Å²	64.5	19%	0.194	36%	0.357	C	S	.	.	H	α-helix	trans	-60	-48.3	176.1	-172.2	70	0	0	0	111	F83 E90 T91 L96 H97 S98 L158 Y212	F83-L94 HydrophobicContact CE1-CD2 4.3Å; F83-L94 HydrophobicContact CZ-CD2 3.94Å; E90-L94 WeakPolarHBondContact O-CB 2.97Å; E90-L94 PolarHBondContact O-N 3.42Å; T91-L94 PolarHBondContact O-N 2.97Å; L94-L96 PolarHBondContact O-N 3.41Å; L94-H97 CarbonylContact O-C 3.43Å; L94-H97 WeakPolarHBondContact O-CB 3.39Å; L94-H97 PolarHBondContact O-N 2.66Å; L94-H97 VanDerWaalsContact O-N 3.17Å; L94-S98 PolarHBondContact O-N 2.99Å; L94-S98 PolarHBondContact O-OG 3.46Å; L94-L158 HydrophobicContact CB-CD1 4.41Å; L94-L158 HydrophobicContact CD1-CD2 3.88Å; L94-Y212 HydrophobicContact CD1-CD1 3.89Å; L94-Y212 HydrophobicContact CD1-CD2 4.14Å; L94-Y212 HydrophobicContact CD1-CE1 3.73Å; L94-Y212 HydrophobicContact CD1-CE2 3.98Å; L94-Y212 HydrophobicContact CD1-CG 4.1Å
95	A	92.9	Very high	90.1	Very high	58 Å²	58	61.3 Å²	61.3	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-40.1	179.6	0	0	0	0	0	113	T91 G92 S98 A99	T91-A95 WeakPolarHBondContact O-CB 3.35Å; T91-A95 PolarHBondContact O-N 2.59Å; G92-A95 PolarHBondContact O-N 2.9Å; A95-S98 PolarHBondContact O-N 3.33Å; A95-A99 WeakPolarHBondContact O-CB 3.4Å; A95-A99 PolarHBondContact O-N 3.31Å
96	L	94.2	Very high	90.4	Very high	100 Å²	100	58.2 Å²	58.2	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-65.1	-39.5	174.5	-179.2	59.4	0	0	0	111.8	G92 L93 L94 A99 A100 L154	G92-L96 WeakPolarHBondContact O-CB 3.38Å; G92-L96 PolarHBondContact O-N 3.29Å; L93-L96 PolarHBondContact O-N 2.96Å; L94-L96 PolarHBondContact O-N 3.41Å; L96-A99 PolarHBondContact O-N 2.97Å; L96-A100 PolarHBondContact O-N 3.26Å; L96-A100 VanDerWaalsContact O-N 3.07Å; L96-L154 HydrophobicContact CD2-CD1 4.48Å; L96-L154 HydrophobicContact CD2-CD2 3.74Å; L96-L154 HydrophobicContact CG-CD1 3.99Å; L96-L154 HydrophobicContact CG-CD2 4.05Å
97	H	93.9	Very high	91	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-46	173.5	-175.9	78.8	0	0	0	111.3	L93 L94 A99 A100 L101 I151 L154 Y212	L93-H97 WeakPolarHBondContact O-CB 3.32Å; L93-H97 PolarHBondContact O-N 2.72Å; L94-H97 CarbonylContact O-C 3.43Å; L94-H97 WeakPolarHBondContact O-CB 3.39Å; L94-H97 PolarHBondContact O-N 2.66Å; L94-H97 VanDerWaalsContact O-N 3.17Å; H97-A99 VanDerWaalsContact C-N 3.32Å; H97-A99 PolarHBondContact O-N 2.96Å; H97-A100 WeakPolarHBondContact O-CB 3.34Å; H97-A100 PolarHBondContact O-N 3.46Å; H97-A100 VanDerWaalsContact O-N 3.08Å; H97-L101 WeakPolarHBondContact O-CG 3.3Å; H97-L101 PolarHBondContact O-N 3.16Å; H97-I151 PolarHBondContact CE1-O 2.93Å; H97-I151 PolarHBondContact ND1-O 3.12Å; H97-L154 HydrophobicContact CB-CB 4.04Å; H97-L154 HydrophobicContact CB-CD1 4.42Å; H97-Y212 AromaticContact CD2-CD1 3.65Å; H97-Y212 AromaticContact CD2-CE1 3.7Å; H97-Y212 AromaticContact NE2-CD1 3.95Å
98	S	94.1	Very high	91.2	Very high	31 Å²	31	47.8 Å²	47.8	22%	0.217	27%	0.272	C	S	.	.	H	α-helix	trans	-55.3	-44.2	173.2	-50.9	0	0	0	0	112.2	L94 A95 A100 L101 V102 Y212	L94-S98 PolarHBondContact O-N 2.99Å; L94-S98 PolarHBondContact O-OG 3.46Å; A95-S98 PolarHBondContact O-N 3.33Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.26Å; S98-L101 PolarHBondContact O-N 2.69Å; S98-V102 WeakPolarHBondContact O-CG2 3.34Å; S98-V102 PolarHBondContact O-N 3.3Å; S98-Y212 PolarHBondContact OG-OH 3.19Å
99	A	94.4	Very high	91.1	Very high	56 Å²	56	47 Å²	47	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-38.6	176.5	0	0	0	0	0	112.3	A95 L96 H97 S103	A95-A99 WeakPolarHBondContact O-CB 3.4Å; A95-A99 PolarHBondContact O-N 3.31Å; L96-A99 PolarHBondContact O-N 2.97Å; H97-A99 VanDerWaalsContact C-N 3.32Å; H97-A99 PolarHBondContact O-N 2.96Å; A99-S103 VanDerWaalsContact O-CB 3.26Å; A99-S103 WeakPolarHBondContact O-CB 3.41Å; A99-S103 PolarHBondContact O-N 3.28Å
100	A	93.8	Very high	91.2	Very high	13 Å²	13	42.6 Å²	42.6	11%	0.107	25%	0.25	C	C	.	.	H	α-helix	trans	-66.8	-40.2	174.1	0	0	0	0	0	112.5	L96 H97 S98 R104 V147 I151 L154	L96-A100 PolarHBondContact O-N 3.26Å; L96-A100 VanDerWaalsContact O-N 3.07Å; H97-A100 WeakPolarHBondContact O-CB 3.34Å; H97-A100 PolarHBondContact O-N 3.46Å; H97-A100 VanDerWaalsContact O-N 3.08Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.26Å; A100-R104 WeakPolarHBondContact O-CB 3.41Å; A100-R104 PolarHBondContact O-N 3.02Å; A100-V147 WeakPolarHBondContact O-CG1 3.24Å; A100-I151 HydrophobicContact CB-CG1 3.8Å; A100-L154 HydrophobicContact CB-CD1 4.18Å
101	L	91.9	Very high	91.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-50.5	173.6	-60.1	-173.9	0	0	0	111.2	H97 S98 S103 R104 T105 I151 Y212 T216 K217 L220	H97-L101 WeakPolarHBondContact O-CG 3.3Å; H97-L101 PolarHBondContact O-N 3.16Å; S98-L101 PolarHBondContact O-N 2.69Å; L101-S103 PolarHBondContact O-N 3.49Å; L101-R104 WeakPolarHBondContact O-CB 3.2Å; L101-R104 PolarHBondContact O-N 3.36Å; L101-R104 VanDerWaalsContact O-N 3.11Å; L101-T105 PolarHBondContact O-N 3.38Å; L101-T105 PolarHBondContact O-OG1 2.86Å; L101-I151 HydrophobicContact CD2-CB 4.44Å; L101-I151 HydrophobicContact CD2-CD1 3.86Å; L101-I151 HydrophobicContact CD2-CG1 3.9Å; L101-I151 HydrophobicContact CD2-CG2 3.67Å; L101-Y212 HydrophobicContact CD1-CE1 4.12Å; L101-T216 HydrophobicContact CD1-CG2 3.89Å; L101-K217 HydrophobicContact CD1-CB 4.38Å; L101-K217 HydrophobicContact CD2-CB 4.15Å; L101-K217 HydrophobicContact CD2-CD 4.5Å; L101-L220 HydrophobicContact CB-CD1 4.37Å
102	V	92.2	Very high	90.9	Very high	52 Å²	52	42.5 Å²	42.5	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-45	178.7	170.4	0	0	0	0	111.4	S98 R104 T105 F106 L220	S98-V102 WeakPolarHBondContact O-CG2 3.34Å; S98-V102 PolarHBondContact O-N 3.3Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 3.27Å; V102-T105 PolarHBondContact O-N 3.27Å; V102-F106 HydrophobicContact CG1-CD2 3.78Å; V102-F106 HydrophobicContact CG1-CE2 3.55Å; V102-F106 VanDerWaalsContact O-CD2 3.29Å; V102-F106 WeakPolarHBondContact O-CD2 3.47Å; V102-F106 PolarHBondContact O-N 3.04Å; V102-F106 VanDerWaalsContact O-N 3.12Å; V102-L220 HydrophobicContact CG2-CD1 3.68Å; V102-L220 HydrophobicContact CG2-CD2 4.1Å
103	S	92.9	Very high	90.6	Very high	53 Å²	53	46.3 Å²	46.3	37%	0.371	25%	0.253	S	S	.	.	H	α-helix	trans	-56.3	-44.5	173.8	-179.2	0	0	0	0	111.5	A99 L101 T105 F106 L107	A99-S103 VanDerWaalsContact O-CB 3.26Å; A99-S103 WeakPolarHBondContact O-CB 3.41Å; A99-S103 PolarHBondContact O-N 3.28Å; L101-S103 PolarHBondContact O-N 3.49Å; S103-T105 PolarHBondContact O-N 3.19Å; S103-F106 PolarHBondContact O-N 3.4Å; S103-L107 VanDerWaalsContact O-CB 3.3Å; S103-L107 WeakPolarHBondContact O-CB 3.39Å; S103-L107 PolarHBondContact O-N 3.48Å
104	R	90.3	Very high	90.4	Very high	61 Å²	61	44.9 Å²	44.9	23%	0.23	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-37.1	178.8	-176.2	63.7	-151.7	-149.7	-1.8	113.2	A100 L101 V102 L107 S108 A144 V147 I151	A100-R104 WeakPolarHBondContact O-CB 3.41Å; A100-R104 PolarHBondContact O-N 3.02Å; L101-R104 WeakPolarHBondContact O-CB 3.2Å; L101-R104 PolarHBondContact O-N 3.36Å; L101-R104 VanDerWaalsContact O-N 3.11Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 3.27Å; R104-L107 PolarHBondContact O-N 2.77Å; R104-S108 PolarHBondContact O-N 3.05Å; R104-S108 PolarHBondContact O-OG 3.17Å; R104-A144 PolarHBondContact NH1-O 3.15Å; R104-V147 HydrophobicContact CB-CG1 3.86Å; R104-I151 HydrophobicContact CB-CD1 3.76Å; R104-I151 HydrophobicContact CG-CD1 4.08Å
105	T	89.9	Confident	90.1	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-50.8	175.3	-65.3	0	0	0	0	111	L101 V102 S103 L107 S108 V109 L220 D221 V224	L101-T105 PolarHBondContact O-N 3.38Å; L101-T105 PolarHBondContact O-OG1 2.86Å; V102-T105 PolarHBondContact O-N 3.27Å; S103-T105 PolarHBondContact O-N 3.19Å; T105-L107 VanDerWaalsContact C-N 3.28Å; T105-L107 PolarHBondContact O-N 3.24Å; T105-S108 PolarHBondContact O-N 3.14Å; T105-V109 PolarHBondContact O-N 3.31Å; T105-V109 VanDerWaalsContact O-N 3.13Å; T105-L220 HydrophobicContact CG2-CB 4.31Å; T105-D221 WeakPolarHBondContact CA-OD1 3.39Å; T105-D221 VanDerWaalsContact CB-OD1 3.27Å; T105-D221 WeakPolarHBondContact CB-OD1 3.32Å; T105-D221 VanDerWaalsContact CG2-OD1 3.31Å; T105-D221 WeakPolarHBondContact CG2-OD1 3.3Å; T105-D221 PolarHBondContact OG1-OD1 3Å; T105-V224 HydrophobicContact CG2-CB 3.9Å; T105-V224 HydrophobicContact CG2-CG1 4.37Å; T105-V224 HydrophobicContact CG2-CG2 3.81Å
106	F	89.8	Confident	89.7	Confident	130 Å²	130	42.4 Å²	42.4	57%	0.57	22%	0.224	S	C	*	.	H	α-helix	trans	-58.8	-40	176.7	-77.8	-61.2	0	0	0	112.7	V102 S103 V109 Y110	V102-F106 HydrophobicContact CG1-CD2 3.78Å; V102-F106 HydrophobicContact CG1-CE2 3.55Å; V102-F106 VanDerWaalsContact O-CD2 3.29Å; V102-F106 WeakPolarHBondContact O-CD2 3.47Å; V102-F106 PolarHBondContact O-N 3.04Å; V102-F106 VanDerWaalsContact O-N 3.12Å; S103-F106 PolarHBondContact O-N 3.4Å; F106-V109 PolarHBondContact O-N 2.99Å; F106-Y110 PolarHBondContact O-N 2.87Å
107	L	89.6	Confident	89.4	Confident	25 Å²	25	42.8 Å²	42.8	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-37.6	179.9	-160.1	60	0	0	0	112.3	S103 R104 T105 Y110 V111 I140 A144	S103-L107 VanDerWaalsContact O-CB 3.3Å; S103-L107 WeakPolarHBondContact O-CB 3.39Å; S103-L107 PolarHBondContact O-N 3.48Å; R104-L107 PolarHBondContact O-N 2.77Å; T105-L107 VanDerWaalsContact C-N 3.28Å; T105-L107 PolarHBondContact O-N 3.24Å; L107-Y110 PolarHBondContact O-N 3.19Å; L107-V111 WeakPolarHBondContact O-CG2 3.26Å; L107-V111 PolarHBondContact O-N 2.94Å; L107-I140 HydrophobicContact CD1-CD1 3.68Å; L107-I140 HydrophobicContact CD1-CG1 3.57Å; L107-I140 HydrophobicContact CG-CG1 4.44Å; L107-A144 VanDerWaalsContact CD2-CA 3.42Å; L107-A144 HydrophobicContact CD2-CB 3.66Å; L107-A144 HydrophobicContact CG-CB 4.31Å
108	S	85.6	Confident	89.1	Confident	41 Å²	41	43.6 Å²	43.6	29%	0.287	22%	0.223	S	C	.	.	H	α-helix	trans	-62.9	-41	173.5	-53.2	0	0	0	0	111.7	R104 T105 V111 A112	R104-S108 PolarHBondContact O-N 3.05Å; R104-S108 PolarHBondContact O-OG 3.17Å; T105-S108 PolarHBondContact O-N 3.14Å; S108-V111 PolarHBondContact O-N 2.97Å; S108-A112 PolarHBondContact O-N 2.88Å; S108-A112 VanDerWaalsContact O-N 3.07Å
109	V	85.9	Confident	88.6	Confident	14 Å²	14	43 Å²	43	9%	0.085	22%	0.22	C	C	.	.	H	α-helix	trans	-67.4	-34.8	174.8	173.8	0	0	0	0	112	T105 F106 R113 V224 T228 L391	T105-V109 PolarHBondContact O-N 3.31Å; T105-V109 VanDerWaalsContact O-N 3.13Å; F106-V109 PolarHBondContact O-N 2.99Å; V109-R113 WeakPolarHBondContact O-CG 3.42Å; V109-R113 PolarHBondContact O-N 3Å; V109-V224 HydrophobicContact CG2-CG1 3.88Å; V109-T228 HydrophobicContact CG1-CG2 4.3Å; V109-L391 HydrophobicContact CG2-CD2 4.4Å
110	Y	88.3	Confident	88.1	Confident	100 Å²	100	43.1 Å²	43.1	39%	0.392	21%	0.208	S	C	.	.	H	α-helix	trans	-67.6	-42.8	175	-176.5	-94.1	0	0	0	112.1	F106 L107 R113 L114 I140	F106-Y110 PolarHBondContact O-N 2.87Å; L107-Y110 PolarHBondContact O-N 3.19Å; Y110-R113 WeakPolarHBondContact O-CB 3.4Å; Y110-R113 PolarHBondContact O-N 2.83Å; Y110-R113 VanDerWaalsContact O-N 3.15Å; Y110-L114 HydrophobicContact CD1-CD1 4.14Å; Y110-L114 HydrophobicContact CD1-CG 4.32Å; Y110-L114 HydrophobicContact CE1-CD1 3.65Å; Y110-L114 HydrophobicContact CE1-CD2 4.38Å; Y110-L114 HydrophobicContact CE1-CG 3.97Å; Y110-L114 PolarHBondContact O-N 3.38Å; Y110-I140 HydrophobicContact CD1-CD1 4.14Å; Y110-I140 HydrophobicContact CD1-CG1 3.9Å; Y110-I140 HydrophobicContact CE1-CD1 3.96Å; Y110-I140 HydrophobicContact CE1-CG1 3.98Å
111	V	88.9	Confident	87.7	Confident	36 Å²	36	43.2 Å²	43.2	22%	0.218	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-47.1	173.1	171.8	0	0	0	0	110.9	L107 S108 R113 L114 D115 I140	L107-V111 WeakPolarHBondContact O-CG2 3.26Å; L107-V111 PolarHBondContact O-N 2.94Å; S108-V111 PolarHBondContact O-N 2.97Å; V111-R113 PolarHBondContact O-N 2.82Å; V111-R113 VanDerWaalsContact O-N 3.15Å; V111-L114 WeakPolarHBondContact O-CA 3.31Å; V111-L114 WeakPolarHBondContact O-CB 3.44Å; V111-L114 PolarHBondContact O-N 2.88Å; V111-D115 PolarHBondContact O-N 3.33Å; V111-I140 HydrophobicContact CG2-CG2 3.87Å
112	A	84.6	Confident	87.4	Confident	10 Å²	10	48.6 Å²	48.6	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-28.8	177.1	0	0	0	0	0	113.6	S108 G116 L391	S108-A112 PolarHBondContact O-N 2.88Å; S108-A112 VanDerWaalsContact O-N 3.07Å; A112-G116 PolarHBondContact O-N 3.09Å; A112-L391 HydrophobicContact CB-CD2 4.06Å; A112-L391 HydrophobicContact CB-CG 4.46Å
113	R	85.2	Confident	87.1	Confident	122 Å²	122	48.9 Å²	48.9	46%	0.46	24%	0.237	S	C	.	.	H	α-helix	trans	-75.6	-35.7	172.2	-69.5	171.9	-180	-170.7	-0.5	112.6	V109 Y110 V111 G116 R117	V109-R113 WeakPolarHBondContact O-CG 3.42Å; V109-R113 PolarHBondContact O-N 3Å; Y110-R113 WeakPolarHBondContact O-CB 3.4Å; Y110-R113 PolarHBondContact O-N 2.83Å; Y110-R113 VanDerWaalsContact O-N 3.15Å; V111-R113 PolarHBondContact O-N 2.82Å; V111-R113 VanDerWaalsContact O-N 3.15Å; R113-G116 PolarHBondContact O-N 2.83Å; R113-R117 WeakPolarHBondContact O-CG 3.17Å; R113-R117 PolarHBondContact O-N 2.83Å
114	L	87.1	Confident	86.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-40.9	172.2	-68.9	-176.4	0	0	0	111.6	Y110 V111 G116 R117 L118 W137 I140	Y110-L114 HydrophobicContact CD1-CD1 4.14Å; Y110-L114 HydrophobicContact CD1-CG 4.32Å; Y110-L114 HydrophobicContact CE1-CD1 3.65Å; Y110-L114 HydrophobicContact CE1-CD2 4.38Å; Y110-L114 HydrophobicContact CE1-CG 3.97Å; Y110-L114 PolarHBondContact O-N 3.38Å; V111-L114 WeakPolarHBondContact O-CA 3.31Å; V111-L114 WeakPolarHBondContact O-CB 3.44Å; V111-L114 PolarHBondContact O-N 2.88Å; L114-G116 VanDerWaalsContact C-N 3.27Å; L114-G116 PolarHBondContact O-N 2.79Å; L114-R117 PolarHBondContact O-N 2.68Å; L114-R117 VanDerWaalsContact O-N 3.13Å; L114-L118 WeakPolarHBondContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 3.01Å; L114-W137 HydrophobicContact CD1-CB 4.3Å; L114-I140 HydrophobicContact CD1-CG2 4.05Å
115	D	86.6	Confident	86.3	Confident	42 Å²	42	57 Å²	57	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-55.9	-43.2	174	-62.4	-19.4	0	0	0	111.4	V111 L118 A119 W137 N390	V111-D115 PolarHBondContact O-N 3.33Å; D115-L118 PolarHBondContact O-N 2.88Å; D115-A119 PolarHBondContact O-N 2.96Å; D115-W137 PolarHBondContact OD1-NE1 3.49Å; D115-N390 PolarHBondContact OD2-ND2 3.3Å
116	G	85.1	Confident	86.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-43.2	175.2	0	0	0	0	0	113.4	A112 R113 L114 A119 R120	A112-G116 PolarHBondContact O-N 3.09Å; R113-G116 PolarHBondContact O-N 2.83Å; L114-G116 VanDerWaalsContact C-N 3.27Å; L114-G116 PolarHBondContact O-N 2.79Å; G116-A119 PolarHBondContact O-N 2.94Å; G116-R120 PolarHBondContact O-N 2.85Å
117	R	86.6	Confident	86	Confident	109 Å²	109	58.7 Å²	58.7	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-68.8	-39.1	176.6	-69.7	174.3	178.8	-178.1	-3.3	112.6	R113 L114 A119 R120 C121 Q133	R113-R117 WeakPolarHBondContact O-CG 3.17Å; R113-R117 PolarHBondContact O-N 2.83Å; L114-R117 PolarHBondContact O-N 2.68Å; L114-R117 VanDerWaalsContact O-N 3.13Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-R120 WeakPolarHBondContact O-CB 3.21Å; R117-R120 PolarHBondContact O-N 3.39Å; R117-C121 PolarHBondContact O-N 2.88Å; R117-C121 PolarHBondContact O-SG 3.07Å; R117-C121 VanDerWaalsContact O-SG 3.4Å; R117-Q133 HydrophobicContact CB-CG 4.47Å; R117-Q133 VanDerWaalsContact CD-OE1 3.25Å
118	L	87.8	Confident	86.1	Confident	17 Å²	17	68.2 Å²	68.2	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-46.8	172.7	-78.1	162.3	0	0	0	110.6	L114 D115 R120 C121 I122 F130 Q133 L134 W137	L114-L118 WeakPolarHBondContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 3.01Å; D115-L118 PolarHBondContact O-N 2.88Å; L118-R120 PolarHBondContact O-N 3.47Å; L118-C121 PolarHBondContact O-N 2.76Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.28Å; L118-I122 PolarHBondContact O-N 3.15Å; L118-F130 HydrophobicContact CD2-CD2 3.81Å; L118-F130 HydrophobicContact CD2-CE2 3.68Å; L118-Q133 HydrophobicContact CD2-CB 3.75Å; L118-Q133 HydrophobicContact CG-CB 4.1Å; L118-L134 HydrophobicContact CD2-CB 4.13Å; L118-W137 HydrophobicContact CD1-CB 4.04Å; L118-W137 HydrophobicContact CD1-CG 3.91Å
119	A	85	Confident	86.1	Confident	19 Å²	19	67.8 Å²	67.8	16%	0.157	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-41.7	172.8	0	0	0	0	0	112.4	D115 G116 R117 C121 I122 V123 T386	D115-A119 PolarHBondContact O-N 2.96Å; G116-A119 PolarHBondContact O-N 2.94Å; R117-A119 VanDerWaalsContact C-N 3.34Å; A119-C121 PolarHBondContact O-N 3.43Å; A119-I122 PolarHBondContact O-N 2.95Å; A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 3.34Å; A119-T386 HydrophobicContact CB-CG2 4.12Å
120	R	82.7	Confident	86.4	Confident	58 Å²	58	70.4 Å²	70.4	22%	0.219	33%	0.328	C	S	.	.	H	α-helix	trans	-57.7	-45.8	174.5	-163.6	-167.6	-179.4	125.7	-1.5	111.7	G116 R117 L118 V123 R124 S379 E380 E383	G116-R120 PolarHBondContact O-N 2.85Å; R117-R120 WeakPolarHBondContact O-CB 3.21Å; R117-R120 PolarHBondContact O-N 3.39Å; L118-R120 PolarHBondContact O-N 3.47Å; R120-V123 PolarHBondContact O-N 2.81Å; R120-R124 WeakPolarHBondContact O-CB 3.19Å; R120-R124 WeakPolarHBondContact O-CG 3.45Å; R120-R124 PolarHBondContact O-N 2.93Å; R120-S379 WeakPolarHBondContact CG-OG 3.43Å; R120-E380 IonicContact CZ-OE1 3.71Å; R120-E380 IonicContact NH1-OE1 3.79Å; R120-E380 VanDerWaalsContact NH2-CG 3.33Å; R120-E380 IonicContact NH2-OE1 2.8Å; R120-E380 PolarHBondContact NH2-OE1 3.08Å; R120-E383 HydrophobicContact CB-CB 4.25Å; R120-E383 WeakPolarHBondContact CD-OE2 3.41Å; R120-E383 HydrophobicContact CG-CB 4.47Å; R120-E383 IonicContact CZ-OE2 3.63Å; R120-E383 IonicContact NE-OE2 3.86Å; R120-E383 IonicContact NH1-OE2 2.69Å; R120-E383 PolarHBondContact NH1-OE2 3.25Å
121	C	85.8	Confident	86.5	Confident	15 Å²	15	67.4 Å²	67.4	10%	0.101	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-39	178.7	-70.8	0	0	0	0	112.8	R117 L118 A119 R124 K125 D126 F130	R117-C121 PolarHBondContact O-N 2.88Å; R117-C121 PolarHBondContact O-SG 3.07Å; R117-C121 VanDerWaalsContact O-SG 3.4Å; L118-C121 PolarHBondContact O-N 2.76Å; A119-C121 PolarHBondContact O-N 3.43Å; C121-R124 CarbonylContact O-C 3.57Å; C121-R124 PolarHBondContact O-N 2.84Å; C121-K125 PolarHBondContact O-N 3.3Å; C121-D126 PolarHBondContact O-N 2.84Å; C121-F130 HydrophobicContact CB-CB 4.13Å
122	I	85.9	Confident	86.7	Confident	112 Å²	112	73.1 Å²	73.1	57%	0.574	35%	0.346	S	S	*	.	H	α-helix	trans	-61.1	-48.1	174.6	-68.2	163.6	0	0	0	110.4	L118 A119 R124 K125 F130	L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.28Å; L118-I122 PolarHBondContact O-N 3.15Å; A119-I122 PolarHBondContact O-N 2.95Å; I122-R124 VanDerWaalsContact C-N 3.33Å; I122-R124 PolarHBondContact O-N 2.89Å; I122-K125 PolarHBondContact O-N 2.62Å; I122-K125 VanDerWaalsContact O-N 3.11Å; I122-F130 HydrophobicContact CD1-CD2 4.46Å; I122-F130 HydrophobicContact CD1-CE2 3.94Å; I122-F130 HydrophobicContact CG1-CD2 3.9Å; I122-F130 HydrophobicContact CG1-CE2 3.83Å
123	V	84.6	Confident	87	Confident	58 Å²	58	73.9 Å²	73.9	35%	0.352	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-37.6	177.6	174.4	0	0	0	0	111.8	A119 R120 K125 V378 T382	A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 3.34Å; R120-V123 PolarHBondContact O-N 2.81Å; V123-K125 VanDerWaalsContact C-N 3.25Å; V123-K125 PolarHBondContact O-N 3.3Å; V123-V378 HydrophobicContact CG1-CG1 4.42Å; V123-T382 HydrophobicContact CG2-CG2 3.9Å
124	R	82.8	Confident	87.3	Confident	106 Å²	106	71.7 Å²	71.7	40%	0.4	35%	0.345	S	S	.	.	H	α-helix	trans	-74	-8.3	175	-73.7	-179.5	-178.3	-127.1	-12.1	114.8	R120 C121 I122 D126 E376 S379	R120-R124 WeakPolarHBondContact O-CB 3.19Å; R120-R124 WeakPolarHBondContact O-CG 3.45Å; R120-R124 PolarHBondContact O-N 2.93Å; C121-R124 CarbonylContact O-C 3.57Å; C121-R124 PolarHBondContact O-N 2.84Å; I122-R124 VanDerWaalsContact C-N 3.33Å; I122-R124 PolarHBondContact O-N 2.89Å; R124-D126 PolarHBondContact O-N 3.09Å; R124-E376 IonicContact CZ-OE1 3.34Å; R124-E376 IonicContact NH1-OE1 3.16Å; R124-E376 PolarHBondContact NH1-OE1 2.77Å; R124-E376 VanDerWaalsContact NH1-OE1 3.16Å; R124-E376 IonicContact NH2-OE1 2.66Å; R124-E376 PolarHBondContact NH2-OE1 3.41Å; R124-S379 WeakPolarHBondContact CG-OG 3.33Å; R124-S379 PolarHBondContact NE-OG 3.04Å
125	K	83.6	Confident	87.6	Confident	179 Å²	179	75.4 Å²	75.4	78%	0.778	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	32.5	-177	-52.9	171.6	-173.8	165.7	0	113.5	C121 I122 V123 P127	C121-K125 PolarHBondContact O-N 3.3Å; I122-K125 PolarHBondContact O-N 2.62Å; I122-K125 VanDerWaalsContact O-N 3.11Å; V123-K125 VanDerWaalsContact C-N 3.25Å; V123-K125 PolarHBondContact O-N 3.3Å; K125-P127 WeakPolarHBondContact O-CD 3.32Å
126	D	87.3	Confident	87.8	Confident	68 Å²	68	76.1 Å²	76.1	36%	0.364	37%	0.366	S	S	.	.			trans	-95.9	102.4	177.5	-177.8	-12.7	0	0	0	110.8	C121 R124 R128 A129 F130	C121-D126 PolarHBondContact O-N 2.84Å; R124-D126 PolarHBondContact O-N 3.09Å; D126-R128 VanDerWaalsContact C-N 3.33Å; D126-R128 PolarHBondContact O-N 3.41Å; D126-R128 WeakPolarHBondContact OD1-CA 3.48Å; D126-R128 WeakPolarHBondContact OD1-CB 3.26Å; D126-R128 PolarHBondContact OD1-N 3.5Å; D126-A129 HydrophobicContact CB-CB 4.16Å; D126-A129 VanDerWaalsContact CG-CB 3.48Å; D126-A129 PolarHBondContact OD1-N 2.9Å; D126-A129 WeakPolarHBondContact OD2-CB 3.42Å; D126-F130 WeakPolarHBondContact O-CB 3.26Å; D126-F130 PolarHBondContact O-N 3.43Å
127	P	87.8	Confident	88.1	Confident	100 Å²	100	80.8 Å²	80.8	65%	0.649	38%	0.384	S	S	*	.	H	α-helix	trans	-72.4	-24.8	-179.4	30.9	-36.3	0	0	0	113	K125 G131	K125-P127 WeakPolarHBondContact O-CD 3.32Å; P127-G131 PolarHBondContact O-N 2.59Å
128	R	90	Very high	88.4	Confident	225 Å²	225	80.9 Å²	80.9	85%	0.849	39%	0.392	S	S	*	.	H	α-helix	trans	-76.3	-48.3	-178.4	-67.9	-178	176.3	179.1	-0.8	110.2	D126 F130 G131 W132	D126-R128 VanDerWaalsContact C-N 3.33Å; D126-R128 PolarHBondContact O-N 3.41Å; D126-R128 WeakPolarHBondContact OD1-CA 3.48Å; D126-R128 WeakPolarHBondContact OD1-CB 3.26Å; D126-R128 PolarHBondContact OD1-N 3.5Å; R128-F130 VanDerWaalsContact C-N 3.34Å; R128-G131 PolarHBondContact O-N 3.27Å; R128-W132 PolarHBondContact O-N 2.99Å
129	A	87.1	Confident	88.6	Confident	32 Å²	32	84.9 Å²	84.9	26%	0.264	41%	0.413	S	S	.	.	H	α-helix	trans	-63.9	-40.2	173.2	0	0	0	0	0	111.6	D126 W132 Q133	D126-A129 HydrophobicContact CB-CB 4.16Å; D126-A129 VanDerWaalsContact CG-CB 3.48Å; D126-A129 PolarHBondContact OD1-N 2.9Å; D126-A129 WeakPolarHBondContact OD2-CB 3.42Å; A129-W132 PolarHBondContact O-N 3.1Å; A129-Q133 WeakPolarHBondContact O-CG 3.5Å; A129-Q133 PolarHBondContact O-N 3.28Å
130	F	91.6	Very high	89	Confident	69 Å²	69	85.6 Å²	85.6	30%	0.303	41%	0.414	S	S	.	.	H	α-helix	trans	-58.5	-49.7	175.9	177.7	-99.4	0	0	0	112.3	L118 C121 I122 D126 R128 W132 Q133 L134	L118-F130 HydrophobicContact CD2-CD2 3.81Å; L118-F130 HydrophobicContact CD2-CE2 3.68Å; C121-F130 HydrophobicContact CB-CB 4.13Å; I122-F130 HydrophobicContact CD1-CD2 4.46Å; I122-F130 HydrophobicContact CD1-CE2 3.94Å; I122-F130 HydrophobicContact CG1-CD2 3.9Å; I122-F130 HydrophobicContact CG1-CE2 3.83Å; D126-F130 WeakPolarHBondContact O-CB 3.26Å; D126-F130 PolarHBondContact O-N 3.43Å; R128-F130 VanDerWaalsContact C-N 3.34Å; F130-W132 VanDerWaalsContact C-N 3.29Å; F130-W132 PolarHBondContact O-N 3.18Å; F130-Q133 PolarHBondContact O-N 3.37Å; F130-L134 HydrophobicContact CE1-CD2 3.96Å; F130-L134 HydrophobicContact CZ-CD2 4.2Å; F130-L134 WeakPolarHBondContact O-CB 3.48Å; F130-L134 PolarHBondContact O-N 3.13Å
131	G	91.5	Very high	89.3	Confident	38 Å²	38	84.6 Å²	84.6	39%	0.392	42%	0.418	S	S	.	.	H	α-helix	trans	-58.5	-39.4	178.5	0	0	0	0	0	113.2	P127 R128 L135	P127-G131 PolarHBondContact O-N 2.59Å; R128-G131 PolarHBondContact O-N 3.27Å; G131-L135 PolarHBondContact O-N 3.46Å
132	W	92.1	Very high	89.6	Confident	156 Å²	156	89.6 Å²	89.6	59%	0.591	44%	0.443	S	S	*	.	H	α-helix	trans	-70.6	-43.6	176.6	-172.8	-111	0	0	0	113.1	R128 A129 F130 L134 L135 Q136	R128-W132 PolarHBondContact O-N 2.99Å; A129-W132 PolarHBondContact O-N 3.1Å; F130-W132 VanDerWaalsContact C-N 3.29Å; F130-W132 PolarHBondContact O-N 3.18Å; W132-L134 VanDerWaalsContact C-N 3.3Å; W132-L134 PolarHBondContact O-N 3.47Å; W132-L135 HydrophobicContact CE3-CD2 4.15Å; W132-L135 HydrophobicContact CZ3-CD2 3.98Å; W132-L135 PolarHBondContact O-N 3.14Å; W132-Q136 WeakPolarHBondContact O-CG 3.32Å; W132-Q136 PolarHBondContact O-N 3.47Å
133	Q	90.1	Very high	90	Very high	25 Å²	25	87 Å²	87	12%	0.117	43%	0.433	C	S	.	.	H	α-helix	trans	-63	-36.7	174.5	-69.3	-56.7	-77.6	0	0	111.8	R117 L118 A129 F130 Q136 W137	R117-Q133 HydrophobicContact CB-CG 4.47Å; R117-Q133 VanDerWaalsContact CD-OE1 3.25Å; L118-Q133 HydrophobicContact CD2-CB 3.75Å; L118-Q133 HydrophobicContact CG-CB 4.1Å; A129-Q133 WeakPolarHBondContact O-CG 3.5Å; A129-Q133 PolarHBondContact O-N 3.28Å; F130-Q133 PolarHBondContact O-N 3.37Å; Q133-Q136 PolarHBondContact O-N 3.21Å; Q133-W137 WeakPolarHBondContact O-CB 3.27Å; Q133-W137 PolarHBondContact O-N 3.18Å
134	L	91.6	Very high	90.2	Very high	76 Å²	76	84.8 Å²	84.8	40%	0.398	42%	0.421	S	S	.	.	H	α-helix	trans	-67.9	-39	177.7	-176.6	62.2	0	0	0	111.8	L118 F130 W132 W137 L138	L118-L134 HydrophobicContact CD2-CB 4.13Å; F130-L134 HydrophobicContact CE1-CD2 3.96Å; F130-L134 HydrophobicContact CZ-CD2 4.2Å; F130-L134 WeakPolarHBondContact O-CB 3.48Å; F130-L134 PolarHBondContact O-N 3.13Å; W132-L134 VanDerWaalsContact C-N 3.3Å; W132-L134 PolarHBondContact O-N 3.47Å; L134-W137 PolarHBondContact O-N 3.14Å; L134-L138 PolarHBondContact O-N 3.2Å
135	L	93.8	Very high	90.7	Very high	80 Å²	80	83.8 Å²	83.8	42%	0.419	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-42.7	172.6	-178.4	61.8	0	0	0	111.6	G131 W132 W137 L138 L139	G131-L135 PolarHBondContact O-N 3.46Å; W132-L135 HydrophobicContact CE3-CD2 4.15Å; W132-L135 HydrophobicContact CZ3-CD2 3.98Å; W132-L135 PolarHBondContact O-N 3.14Å; L135-W137 VanDerWaalsContact C-N 3.32Å; L135-W137 PolarHBondContact O-N 2.9Å; L135-L138 PolarHBondContact O-N 3.12Å; L135-L139 HydrophobicContact CD1-CD1 4.26Å; L135-L139 HydrophobicContact CD1-CG 4.32Å; L135-L139 HydrophobicContact CG-CD1 4.02Å; L135-L139 WeakPolarHBondContact O-CB 3.31Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.41Å; L135-L139 PolarHBondContact O-N 3.43Å
136	Q	91.4	Very high	91.3	Very high	57 Å²	57	82.2 Å²	82.2	27%	0.266	42%	0.421	S	S	.	.	H	α-helix	trans	-61.8	-39.2	174.4	-70.5	-175.1	-25	0	0	112.2	W132 Q133 L139 I140	W132-Q136 WeakPolarHBondContact O-CG 3.32Å; W132-Q136 PolarHBondContact O-N 3.47Å; Q133-Q136 PolarHBondContact O-N 3.21Å; Q136-L139 PolarHBondContact O-N 2.89Å; Q136-I140 PolarHBondContact O-N 3.44Å; Q136-I140 VanDerWaalsContact O-N 3.09Å
137	W	91.3	Very high	91.6	Very high	98 Å²	98	79.8 Å²	79.8	37%	0.371	41%	0.408	S	S	.	.	H	α-helix	trans	-66.9	-37	175.6	-172	103.2	0	0	0	112.7	L114 D115 L118 Q133 L134 L135 I140	L114-W137 HydrophobicContact CD1-CB 4.3Å; D115-W137 PolarHBondContact OD1-NE1 3.49Å; L118-W137 HydrophobicContact CD1-CB 4.04Å; L118-W137 HydrophobicContact CD1-CG 3.91Å; Q133-W137 WeakPolarHBondContact O-CB 3.27Å; Q133-W137 PolarHBondContact O-N 3.18Å; L134-W137 PolarHBondContact O-N 3.14Å; L135-W137 VanDerWaalsContact C-N 3.32Å; L135-W137 PolarHBondContact O-N 2.9Å; W137-I140 WeakPolarHBondContact O-CG2 3.36Å
138	L	92.7	Very high	91.8	Very high	111 Å²	111	77.6 Å²	77.6	58%	0.581	39%	0.391	S	S	*	.	H	α-helix	trans	-71	-42.3	174.6	-171.9	65.7	0	0	0	111.7	L134 L135 I140 A141	L134-L138 PolarHBondContact O-N 3.2Å; L135-L138 PolarHBondContact O-N 3.12Å; L138-I140 PolarHBondContact O-N 3.28Å; L138-A141 VanDerWaalsContact O-CB 3.27Å; L138-A141 WeakPolarHBondContact O-CB 3.28Å; L138-A141 PolarHBondContact O-N 3.23Å
139	L	92.8	Very high	92	Very high	100 Å²	100	70.5 Å²	70.5	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-37	179.5	-73.4	169.8	0	0	0	112.5	L135 Q136 A141 L142 P143	L135-L139 HydrophobicContact CD1-CD1 4.26Å; L135-L139 HydrophobicContact CD1-CG 4.32Å; L135-L139 HydrophobicContact CG-CD1 4.02Å; L135-L139 WeakPolarHBondContact O-CB 3.31Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.41Å; L135-L139 PolarHBondContact O-N 3.43Å; Q136-L139 PolarHBondContact O-N 2.89Å; L139-A141 PolarHBondContact O-N 2.99Å; L139-L142 PolarHBondContact O-N 3.29Å; L139-P143 VanDerWaalsContact O-CD 3.31Å; L139-P143 WeakPolarHBondContact O-CD 3.39Å
140	I	93.4	Very high	92.3	Very high	35 Å²	35	70 Å²	70	18%	0.179	37%	0.372	C	S	.	.	H	α-helix	trans	-70.7	-15.6	178	-153.7	72.5	0	0	0	113.1	L107 Y110 V111 L114 Q136 W137 L138 L142 P143 A144	L107-I140 HydrophobicContact CD1-CD1 3.68Å; L107-I140 HydrophobicContact CD1-CG1 3.57Å; L107-I140 HydrophobicContact CG-CG1 4.44Å; Y110-I140 HydrophobicContact CD1-CD1 4.14Å; Y110-I140 HydrophobicContact CD1-CG1 3.9Å; Y110-I140 HydrophobicContact CE1-CD1 3.96Å; Y110-I140 HydrophobicContact CE1-CG1 3.98Å; V111-I140 HydrophobicContact CG2-CG2 3.87Å; L114-I140 HydrophobicContact CD1-CG2 4.05Å; Q136-I140 PolarHBondContact O-N 3.44Å; Q136-I140 VanDerWaalsContact O-N 3.09Å; W137-I140 WeakPolarHBondContact O-CG2 3.36Å; L138-I140 PolarHBondContact O-N 3.28Å; I140-L142 VanDerWaalsContact C-N 3.28Å; I140-L142 PolarHBondContact O-N 3.22Å; I140-P143 HydrophobicContact CD1-CG 4.13Å; I140-P143 WeakPolarHBondContact O-CD 3.17Å; I140-P143 WeakPolarHBondContact O-CG 3.37Å; I140-A144 VanDerWaalsContact O-CB 3.29Å; I140-A144 WeakPolarHBondContact O-CB 3.48Å; I140-A144 PolarHBondContact O-N 3.14Å
141	A	89.3	Confident	92.4	Very high	37 Å²	37	67.1 Å²	67.1	31%	0.306	36%	0.359	S	S	.	.	H	α-helix	trans	-67.5	-26.5	174.7	0	0	0	0	0	113.1	L138 L139 A144 T145	L138-A141 VanDerWaalsContact O-CB 3.27Å; L138-A141 WeakPolarHBondContact O-CB 3.28Å; L138-A141 PolarHBondContact O-N 3.23Å; L139-A141 PolarHBondContact O-N 2.99Å; A141-A144 PolarHBondContact O-N 2.85Å; A141-T145 WeakPolarHBondContact O-CG2 3.13Å; A141-T145 PolarHBondContact O-N 2.67Å; A141-T145 PolarHBondContact O-OG1 3.04Å
142	L	91.6	Very high	92.4	Very high	119 Å²	119	74.1 Å²	74.1	62%	0.623	37%	0.374	S	S	*	.	H	α-helix	trans	-65.6	-57.5	177.9	-64.8	173	0	0	0	112.5	L139 I140 A144 T145 F146	L139-L142 PolarHBondContact O-N 3.29Å; I140-L142 VanDerWaalsContact C-N 3.28Å; I140-L142 PolarHBondContact O-N 3.22Å; L142-A144 PolarHBondContact O-N 3.05Å; L142-T145 PolarHBondContact O-N 2.7Å; L142-T145 PolarHBondContact O-OG1 2.9Å; L142-F146 PolarHBondContact O-N 3Å
143	P	93.4	Very high	92.6	Very high	58 Å²	58	73.9 Å²	73.9	38%	0.377	37%	0.374	S	S	.	.	H	α-helix	trans	-63.6	-29.8	172.8	25.6	-33.4	0	0	0	112	L139 I140 F146 V147	L139-P143 VanDerWaalsContact O-CD 3.31Å; L139-P143 WeakPolarHBondContact O-CD 3.39Å; I140-P143 HydrophobicContact CD1-CG 4.13Å; I140-P143 WeakPolarHBondContact O-CD 3.17Å; I140-P143 WeakPolarHBondContact O-CG 3.37Å; P143-F146 PolarHBondContact O-N 3.44Å; P143-V147 WeakPolarHBondContact O-CB 3.42Å; P143-V147 VanDerWaalsContact O-CG2 3.31Å; P143-V147 WeakPolarHBondContact O-CG2 3.46Å; P143-V147 PolarHBondContact O-N 3.34Å
144	A	90.1	Very high	92.8	Very high	12 Å²	12	73.4 Å²	73.4	10%	0.099	37%	0.372	C	S	.	.	H	α-helix	trans	-67.3	-39.5	179	0	0	0	0	0	113.6	R104 L107 I140 A141 L142 N148	R104-A144 PolarHBondContact NH1-O 3.15Å; L107-A144 VanDerWaalsContact CD2-CA 3.42Å; L107-A144 HydrophobicContact CD2-CB 3.66Å; L107-A144 HydrophobicContact CG-CB 4.31Å; I140-A144 VanDerWaalsContact O-CB 3.29Å; I140-A144 WeakPolarHBondContact O-CB 3.48Å; I140-A144 PolarHBondContact O-N 3.14Å; A141-A144 PolarHBondContact O-N 2.85Å; L142-A144 PolarHBondContact O-N 3.05Å; A144-N148 WeakPolarHBondContact O-CB 3.39Å; A144-N148 PolarHBondContact O-N 2.83Å
145	T	93.3	Very high	92.9	Very high	84 Å²	84	71.5 Å²	71.5	52%	0.515	36%	0.361	S	S	.	.	H	α-helix	trans	-72.7	-42	173.9	49.6	0	0	0	0	111.1	A141 L142 N148 S149	A141-T145 WeakPolarHBondContact O-CG2 3.13Å; A141-T145 PolarHBondContact O-N 2.67Å; A141-T145 PolarHBondContact O-OG1 3.04Å; L142-T145 PolarHBondContact O-N 2.7Å; L142-T145 PolarHBondContact O-OG1 2.9Å; T145-N148 PolarHBondContact O-N 3.23Å; T145-S149 PolarHBondContact O-N 3.39Å; T145-S149 PolarHBondContact O-OG 3.05Å
146	F	95.1	Very high	92.9	Very high	147 Å²	147	69.8 Å²	69.8	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-55.5	-53.4	173.9	178.1	-97.7	0	0	0	112.5	L142 P143 N148 S149 A150	L142-F146 PolarHBondContact O-N 3Å; P143-F146 PolarHBondContact O-N 3.44Å; F146-N148 VanDerWaalsContact C-N 3.29Å; F146-N148 PolarHBondContact O-N 3.02Å; F146-S149 PolarHBondContact O-N 3.25Å; F146-A150 WeakPolarHBondContact O-CB 3.39Å; F146-A150 PolarHBondContact O-N 2.87Å
147	V	94.2	Very high	93.1	Very high	16 Å²	16	69.8 Å²	69.8	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-37.5	179.7	174	0	0	0	0	111.3	A100 R104 P143 S149 A150 I151	A100-V147 WeakPolarHBondContact O-CG1 3.24Å; R104-V147 HydrophobicContact CB-CG1 3.86Å; P143-V147 WeakPolarHBondContact O-CB 3.42Å; P143-V147 VanDerWaalsContact O-CG2 3.31Å; P143-V147 WeakPolarHBondContact O-CG2 3.46Å; P143-V147 PolarHBondContact O-N 3.34Å; V147-S149 PolarHBondContact O-N 3.38Å; V147-A150 PolarHBondContact O-N 3.27Å; V147-I151 HydrophobicContact CG1-CD1 4.1Å; V147-I151 HydrophobicContact CG1-CG1 4.49Å; V147-I151 VanDerWaalsContact O-CG1 3.25Å; V147-I151 WeakPolarHBondContact O-CG1 3.48Å; V147-I151 PolarHBondContact O-N 2.97Å
148	N	91.3	Very high	93.2	Very high	54 Å²	54	65.1 Å²	65.1	29%	0.289	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-39	177	-172.2	84.5	0	0	0	112.8	A144 T145 F146 R152	A144-N148 WeakPolarHBondContact O-CB 3.39Å; A144-N148 PolarHBondContact O-N 2.83Å; T145-N148 PolarHBondContact O-N 3.23Å; F146-N148 VanDerWaalsContact C-N 3.29Å; F146-N148 PolarHBondContact O-N 3.02Å; N148-R152 PolarHBondContact O-N 3.32Å
149	S	94.1	Very high	93.3	Very high	76 Å²	76	60.7 Å²	60.7	53%	0.531	32%	0.324	S	S	.	.	H	α-helix	trans	-70.4	-39	173.6	-63.9	0	0	0	0	112	T145 F146 V147 I151 R152 Y153	T145-S149 PolarHBondContact O-N 3.39Å; T145-S149 PolarHBondContact O-OG 3.05Å; F146-S149 PolarHBondContact O-N 3.25Å; V147-S149 PolarHBondContact O-N 3.38Å; S149-I151 PolarHBondContact O-N 3.14Å; S149-R152 PolarHBondContact O-N 3.49Å; S149-Y153 PolarHBondContact O-N 3.4Å
150	A	94.3	Very high	93.4	Very high	22 Å²	22	59.4 Å²	59.4	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-40.7	175.9	0	0	0	0	0	112.1	F146 V147 R152 Y153 L154	F146-A150 WeakPolarHBondContact O-CB 3.39Å; F146-A150 PolarHBondContact O-N 2.87Å; V147-A150 PolarHBondContact O-N 3.27Å; A150-R152 PolarHBondContact O-N 2.99Å; A150-Y153 PolarHBondContact O-N 2.93Å; A150-L154 VanDerWaalsContact O-CB 3.31Å; A150-L154 WeakPolarHBondContact O-CB 3.47Å; A150-L154 WeakPolarHBondContact O-CD1 3.47Å; A150-L154 WeakPolarHBondContact O-CG 3.42Å; A150-L154 PolarHBondContact O-N 3.37Å
151	I	93.2	Very high	93.4	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-55.5	-52.6	174	-71.3	165.2	0	0	0	110.5	H97 A100 L101 R104 V147 S149 Y153 L154 E155	H97-I151 PolarHBondContact CE1-O 2.93Å; H97-I151 PolarHBondContact ND1-O 3.12Å; A100-I151 HydrophobicContact CB-CG1 3.8Å; L101-I151 HydrophobicContact CD2-CB 4.44Å; L101-I151 HydrophobicContact CD2-CD1 3.86Å; L101-I151 HydrophobicContact CD2-CG1 3.9Å; L101-I151 HydrophobicContact CD2-CG2 3.67Å; R104-I151 HydrophobicContact CB-CD1 3.76Å; R104-I151 HydrophobicContact CG-CD1 4.08Å; V147-I151 HydrophobicContact CG1-CD1 4.1Å; V147-I151 HydrophobicContact CG1-CG1 4.49Å; V147-I151 VanDerWaalsContact O-CG1 3.25Å; V147-I151 WeakPolarHBondContact O-CG1 3.48Å; V147-I151 PolarHBondContact O-N 2.97Å; S149-I151 PolarHBondContact O-N 3.14Å; I151-Y153 PolarHBondContact O-N 3.45Å; I151-L154 PolarHBondContact O-N 3.25Å; I151-E155 WeakPolarHBondContact O-CB 3.36Å; I151-E155 PolarHBondContact O-N 3.4Å
152	R	92.1	Very high	93.7	Very high	186 Å²	186	57 Å²	57	70%	0.702	30%	0.301	S	S	*	.	H	α-helix	trans	-62.3	-40.7	179.4	-72.2	-177.8	168.9	-172.8	-4.5	113.1	N148 S149 A150 G156	N148-R152 PolarHBondContact O-N 3.32Å; S149-R152 PolarHBondContact O-N 3.49Å; A150-R152 PolarHBondContact O-N 2.99Å; R152-G156 PolarHBondContact O-N 3.06Å; R152-G156 VanDerWaalsContact O-N 3.13Å
153	Y	94.9	Very high	93.8	Very high	151 Å²	151	56.1 Å²	56.1	59%	0.592	29%	0.289	S	S	*	.	H	α-helix	trans	-63.4	-47	176	172.8	-96.8	0	0	0	111.6	S149 A150 I151 E155 G156 Q157	S149-Y153 PolarHBondContact O-N 3.4Å; A150-Y153 PolarHBondContact O-N 2.93Å; I151-Y153 PolarHBondContact O-N 3.45Å; Y153-E155 VanDerWaalsContact C-N 3.34Å; Y153-E155 PolarHBondContact O-N 3.24Å; Y153-G156 PolarHBondContact O-N 3.49Å; Y153-Q157 HydrophobicContact CD1-CG 4.23Å; Y153-Q157 HydrophobicContact CE1-CG 3.74Å; Y153-Q157 HydrophobicContact CE2-CG 4.11Å; Y153-Q157 WeakPolarHBondContact O-CG 3.49Å; Y153-Q157 PolarHBondContact O-N 3.23Å
154	L	94.4	Very high	93.8	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-36.5	179.5	-70.4	167.4	0	0	0	112.1	L93 L96 H97 A100 A150 I151 Q157 L158	L93-L154 HydrophobicContact CD2-CD2 4.49Å; L96-L154 HydrophobicContact CD2-CD1 4.48Å; L96-L154 HydrophobicContact CD2-CD2 3.74Å; L96-L154 HydrophobicContact CG-CD1 3.99Å; L96-L154 HydrophobicContact CG-CD2 4.05Å; H97-L154 HydrophobicContact CB-CB 4.04Å; H97-L154 HydrophobicContact CB-CD1 4.42Å; A100-L154 HydrophobicContact CB-CD1 4.18Å; A150-L154 VanDerWaalsContact O-CB 3.31Å; A150-L154 WeakPolarHBondContact O-CB 3.47Å; A150-L154 WeakPolarHBondContact O-CD1 3.47Å; A150-L154 WeakPolarHBondContact O-CG 3.42Å; A150-L154 PolarHBondContact O-N 3.37Å; I151-L154 PolarHBondContact O-N 3.25Å; L154-Q157 PolarHBondContact O-N 3.1Å; L154-L158 VanDerWaalsContact O-CB 3.26Å; L154-L158 WeakPolarHBondContact O-CB 3.39Å; L154-L158 PolarHBondContact O-N 3.08Å
155	E	94.2	Very high	94	Very high	36 Å²	36	60.1 Å²	60.1	17%	0.168	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-46.8	173.4	-166	-178.4	123.4	0	0	111.6	I151 Y153 L158 A159 H210 S213	I151-E155 WeakPolarHBondContact O-CB 3.36Å; I151-E155 PolarHBondContact O-N 3.4Å; Y153-E155 VanDerWaalsContact C-N 3.34Å; Y153-E155 PolarHBondContact O-N 3.24Å; E155-L158 PolarHBondContact O-N 3.29Å; E155-A159 WeakPolarHBondContact O-CB 3.19Å; E155-A159 PolarHBondContact O-N 2.91Å; E155-H210 IonicContact OE1-CD2 3.56Å; E155-H210 PolarHBondContact OE1-CD2 3.02Å; E155-H210 IonicContact OE1-CG 2.71Å; E155-S213 WeakPolarHBondContact OE2-CB 3.04Å; E155-S213 PolarHBondContact OE2-OG 3.33Å
156	G	94.9	Very high	94	Very high	43 Å²	43	56.2 Å²	56.2	44%	0.443	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-39.4	175.1	0	0	0	0	0	113.8	R152 Y153 L160	R152-G156 PolarHBondContact O-N 3.06Å; R152-G156 VanDerWaalsContact O-N 3.13Å; Y153-G156 PolarHBondContact O-N 3.49Å; G156-L160 WeakPolarHBondContact O-CB 3.28Å; G156-L160 PolarHBondContact O-N 3.42Å
157	Q	94.8	Very high	94	Very high	57 Å²	57	50.3 Å²	50.3	27%	0.266	26%	0.256	S	S	.	.	H	α-helix	trans	-65.2	-38.6	173.3	-71.1	-63.1	-37.3	0	0	112	L93 Y153 L154 L160 S161	L93-Q157 HydrophobicContact CD2-CB 4.49Å; Y153-Q157 HydrophobicContact CD1-CG 4.23Å; Y153-Q157 HydrophobicContact CE1-CG 3.74Å; Y153-Q157 HydrophobicContact CE2-CG 4.11Å; Y153-Q157 WeakPolarHBondContact O-CG 3.49Å; Y153-Q157 PolarHBondContact O-N 3.23Å; L154-Q157 PolarHBondContact O-N 3.1Å; Q157-L160 PolarHBondContact O-N 2.91Å; Q157-S161 WeakPolarHBondContact O-CB 3.28Å; Q157-S161 PolarHBondContact O-N 3.47Å
158	L	94	Very high	93.9	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-50.6	176.8	-170.5	68.8	0	0	0	110.5	L93 L94 L154 E155 L160 S161 F162 A209	L93-L158 HydrophobicContact CB-CD1 4.26Å; L94-L158 HydrophobicContact CB-CD1 4.41Å; L94-L158 HydrophobicContact CD1-CD2 3.88Å; L154-L158 VanDerWaalsContact O-CB 3.26Å; L154-L158 WeakPolarHBondContact O-CB 3.39Å; L154-L158 PolarHBondContact O-N 3.08Å; E155-L158 PolarHBondContact O-N 3.29Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 2.97Å; L158-S161 PolarHBondContact O-N 3.43Å; L158-S161 VanDerWaalsContact O-N 3.11Å; L158-S161 PolarHBondContact O-OG 3.19Å; L158-F162 HydrophobicContact CD1-CE1 3.7Å; L158-F162 HydrophobicContact CD1-CE2 4.15Å; L158-F162 HydrophobicContact CD1-CZ 3.49Å; L158-F162 VanDerWaalsContact CD1-CZ 3.49Å; L158-F162 HydrophobicContact CD2-CE2 3.95Å; L158-F162 HydrophobicContact CD2-CZ 3.92Å; L158-F162 HydrophobicContact CG-CD2 4.29Å; L158-F162 HydrophobicContact CG-CE1 4.08Å; L158-F162 HydrophobicContact CG-CE2 3.62Å; L158-F162 HydrophobicContact CG-CZ 3.5Å; L158-F162 WeakPolarHBondContact O-CG 3.42Å; L158-F162 PolarHBondContact O-N 3.35Å; L158-A209 HydrophobicContact CB-CB 4.38Å; L158-A209 HydrophobicContact CD2-CB 4.23Å; L158-A209 HydrophobicContact CG-CB 4.38Å
159	A	94.9	Very high	94	Very high	18 Å²	18	51.6 Å²	51.6	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-55.3	-44.9	174.6	0	0	0	0	0	112.4	E155 F162 R163 A209	E155-A159 WeakPolarHBondContact O-CB 3.19Å; E155-A159 PolarHBondContact O-N 2.91Å; A159-F162 PolarHBondContact O-N 2.93Å; A159-R163 VanDerWaalsContact O-CB 3.31Å; A159-R163 WeakPolarHBondContact O-CB 3.49Å; A159-R163 PolarHBondContact O-N 2.86Å; A159-A209 HydrophobicContact CB-CB 3.78Å
160	L	94.8	Very high	94	Very high	73 Å²	73	48 Å²	48	38%	0.382	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-42	176.3	178.6	58.6	0	0	0	112.1	G156 Q157 L158 R163 S164	G156-L160 WeakPolarHBondContact O-CB 3.28Å; G156-L160 PolarHBondContact O-N 3.42Å; Q157-L160 PolarHBondContact O-N 2.91Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 2.97Å; L160-R163 PolarHBondContact O-N 3.37Å; L160-S164 WeakPolarHBondContact O-CB 3.49Å; L160-S164 PolarHBondContact O-N 3.47Å; L160-S164 PolarHBondContact O-OG 3.2Å; L160-S164 VanDerWaalsContact O-OG 3.09Å
161	S	93.3	Very high	94	Very high	17 Å²	17	52.2 Å²	52.2	12%	0.119	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-43.6	178.1	75.1	0	0	0	0	112	Q157 L158 S164 R165	Q157-S161 WeakPolarHBondContact O-CB 3.28Å; Q157-S161 PolarHBondContact O-N 3.47Å; L158-S161 PolarHBondContact O-N 3.43Å; L158-S161 VanDerWaalsContact O-N 3.11Å; L158-S161 PolarHBondContact O-OG 3.19Å; S161-S164 PolarHBondContact O-N 3.26Å; S161-R165 WeakPolarHBondContact O-CG 3.49Å; S161-R165 PolarHBondContact O-N 3.27Å
162	F	94.2	Very high	94	Very high	4 Å²	4	61 Å²	61	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-46.7	175.9	-66	-16.7	0	0	0	111.9	L82 F83 L158 A159 S164 R165 L166 A205 V208 A209	L82-F162 HydrophobicContact CB-CD1 4.19Å; L82-F162 HydrophobicContact CB-CE1 4.34Å; L82-F162 HydrophobicContact CD1-CB 4.21Å; L82-F162 HydrophobicContact CD1-CD1 3.96Å; L82-F162 HydrophobicContact CD1-CD2 3.96Å; L82-F162 HydrophobicContact CD1-CE1 4.26Å; L82-F162 HydrophobicContact CD1-CE2 4.27Å; L82-F162 HydrophobicContact CD1-CG 3.79Å; L82-F162 HydrophobicContact CD1-CZ 4.4Å; L82-F162 HydrophobicContact CD2-CB 3.64Å; L82-F162 HydrophobicContact CD2-CD1 3.9Å; L82-F162 HydrophobicContact CD2-CG 3.9Å; L82-F162 HydrophobicContact CG-CD1 4.25Å; L82-F162 HydrophobicContact CG-CG 4.38Å; F83-F162 AromaticContact CE1-CE1 3.97Å; F83-F162 HydrophobicContact CE1-CE1 3.97Å; F83-F162 HydrophobicContact CE1-CZ 4.38Å; F83-F162 HydrophobicContact CE2-CE1 4.25Å; F83-F162 HydrophobicContact CE2-CZ 4.19Å; F83-F162 AromaticContact CZ-CE1 3.6Å; F83-F162 HydrophobicContact CZ-CE1 3.6Å; F83-F162 AromaticContact CZ-CZ 3.61Å; F83-F162 HydrophobicContact CZ-CZ 3.61Å; L158-F162 HydrophobicContact CD1-CE1 3.7Å; L158-F162 HydrophobicContact CD1-CE2 4.15Å; L158-F162 HydrophobicContact CD1-CZ 3.49Å; L158-F162 VanDerWaalsContact CD1-CZ 3.49Å; L158-F162 HydrophobicContact CD2-CE2 3.95Å; L158-F162 HydrophobicContact CD2-CZ 3.92Å; L158-F162 HydrophobicContact CG-CD2 4.29Å; L158-F162 HydrophobicContact CG-CE1 4.08Å; L158-F162 HydrophobicContact CG-CE2 3.62Å; L158-F162 HydrophobicContact CG-CZ 3.5Å; L158-F162 WeakPolarHBondContact O-CG 3.42Å; L158-F162 PolarHBondContact O-N 3.35Å; A159-F162 PolarHBondContact O-N 2.93Å; F162-S164 PolarHBondContact O-N 2.97Å; F162-R165 PolarHBondContact O-N 3.44Å; F162-L166 WeakPolarHBondContact O-CG 3.31Å; F162-L166 PolarHBondContact O-N 2.97Å; F162-A205 HydrophobicContact CB-CB 3.98Å; F162-V208 HydrophobicContact CD2-CG1 4.25Å; F162-V208 HydrophobicContact CE2-CG1 3.85Å; F162-A209 HydrophobicContact CD2-CB 4.49Å; F162-A209 HydrophobicContact CE2-CB 4.42Å
163	R	94.8	Very high	94	Very high	100 Å²	100	53 Å²	53	38%	0.377	26%	0.257	S	S	.	.	H	α-helix	trans	-56.8	-50.5	177	-172.5	-175.5	74.8	102.1	-1.7	111.1	A159 L160 R165 L166 V167 V202 A205	A159-R163 VanDerWaalsContact O-CB 3.31Å; A159-R163 WeakPolarHBondContact O-CB 3.49Å; A159-R163 PolarHBondContact O-N 2.86Å; L160-R163 PolarHBondContact O-N 3.37Å; R163-R165 VanDerWaalsContact C-N 3.34Å; R163-R165 PolarHBondContact O-N 3Å; R163-L166 PolarHBondContact O-N 3.34Å; R163-V167 HydrophobicContact CG-CG2 4.38Å; R163-V167 WeakPolarHBondContact O-CB 3.45Å; R163-V167 VanDerWaalsContact O-CG2 3.3Å; R163-V167 WeakPolarHBondContact O-CG2 3.4Å; R163-V167 PolarHBondContact O-N 3.13Å; R163-V202 HydrophobicContact CG-CG2 4.07Å; R163-A205 HydrophobicContact CB-CB 3.83Å
164	S	94	Very high	93.9	Very high	62 Å²	62	47.6 Å²	47.6	43%	0.434	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-37.5	179.9	-64.6	0	0	0	0	112.7	L160 S161 F162 A168	L160-S164 WeakPolarHBondContact O-CB 3.49Å; L160-S164 PolarHBondContact O-N 3.47Å; L160-S164 PolarHBondContact O-OG 3.2Å; L160-S164 VanDerWaalsContact O-OG 3.09Å; S161-S164 PolarHBondContact O-N 3.26Å; F162-S164 PolarHBondContact O-N 2.97Å; S164-A168 WeakPolarHBondContact O-CB 3.44Å; S164-A168 PolarHBondContact O-N 3.05Å; S164-A168 VanDerWaalsContact O-N 3.1Å
165	R	92.4	Very high	93.8	Very high	92 Å²	92	53.2 Å²	53.2	35%	0.347	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-50.5	173.6	-76.1	-74.1	-170.8	150	10.2	112.2	E90 S161 F162 R163 A168 H169	E90-R165 IonicContact OE1-CZ 3.91Å; E90-R165 VanDerWaalsContact OE1-CZ 3.29Å; E90-R165 IonicContact OE1-NE 3.57Å; E90-R165 PolarHBondContact OE1-NE 3.36Å; E90-R165 IonicContact OE1-NH2 2.85Å; E90-R165 PolarHBondContact OE1-NH2 2.91Å; E90-R165 IonicContact OE2-CZ 2.79Å; E90-R165 IonicContact OE2-NE 2.71Å; E90-R165 IonicContact OE2-NH2 3.05Å; E90-R165 PolarHBondContact OE2-NH2 3.01Å; S161-R165 WeakPolarHBondContact O-CG 3.49Å; S161-R165 PolarHBondContact O-N 3.27Å; F162-R165 PolarHBondContact O-N 3.44Å; R163-R165 VanDerWaalsContact C-N 3.34Å; R163-R165 PolarHBondContact O-N 3Å; R165-A168 PolarHBondContact O-N 2.85Å; R165-H169 PolarHBondContact O-N 3.35Å
166	L	94	Very high	93.6	Very high	2 Å²	2	53 Å²	53	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-45.6	-177.2	-68.7	172.4	0	0	0	112.1	L81 L82 F162 R163 A168 H169 A170 V201 F204 F423	L81-L166 HydrophobicContact CB-CD2 4.37Å; L82-L166 HydrophobicContact CD2-CD1 3.91Å; L82-L166 HydrophobicContact CD2-CD2 3.95Å; L82-L166 HydrophobicContact CD2-CG 3.66Å; F162-L166 WeakPolarHBondContact O-CG 3.31Å; F162-L166 PolarHBondContact O-N 2.97Å; R163-L166 PolarHBondContact O-N 3.34Å; L166-A168 PolarHBondContact O-N 3.04Å; L166-H169 PolarHBondContact O-N 2.64Å; L166-A170 WeakPolarHBondContact O-CB 3.47Å; L166-A170 PolarHBondContact O-N 3.24Å; L166-V201 HydrophobicContact CB-CG1 3.57Å; L166-V201 HydrophobicContact CD1-CG1 4.21Å; L166-F204 HydrophobicContact CD1-CD1 3.53Å; L166-F204 HydrophobicContact CD1-CE1 3.79Å; L166-F423 HydrophobicContact CD2-CE2 4.26Å; L166-F423 HydrophobicContact CD2-CZ 4.38Å
167	V	94.4	Very high	93.2	Very high	24 Å²	24	56.5 Å²	56.5	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-44.2	177.3	173.8	0	0	0	0	110.9	R163 H169 A170 Y171 V201	R163-V167 HydrophobicContact CG-CG2 4.38Å; R163-V167 WeakPolarHBondContact O-CB 3.45Å; R163-V167 VanDerWaalsContact O-CG2 3.3Å; R163-V167 WeakPolarHBondContact O-CG2 3.4Å; R163-V167 PolarHBondContact O-N 3.13Å; V167-H169 VanDerWaalsContact C-N 3.27Å; V167-H169 PolarHBondContact O-N 2.76Å; V167-A170 PolarHBondContact O-N 3.19Å; V167-Y171 HydrophobicContact CG1-CD1 4.27Å; V167-Y171 HydrophobicContact CG1-CD2 3.87Å; V167-Y171 HydrophobicContact CG1-CE1 3.92Å; V167-Y171 HydrophobicContact CG1-CE2 3.5Å; V167-Y171 HydrophobicContact CG1-CG 4.25Å; V167-Y171 WeakPolarHBondContact O-CB 3.34Å; V167-Y171 PolarHBondContact O-N 3.36Å; V167-V201 HydrophobicContact CG2-CG1 3.73Å
168	A	93.4	Very high	92.9	Very high	41 Å²	41	56.8 Å²	56.8	34%	0.339	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-29	177	0	0	0	0	0	113.3	S164 R165 L166 R172	S164-A168 WeakPolarHBondContact O-CB 3.44Å; S164-A168 PolarHBondContact O-N 3.05Å; S164-A168 VanDerWaalsContact O-N 3.1Å; R165-A168 PolarHBondContact O-N 2.85Å; L166-A168 PolarHBondContact O-N 3.04Å; A168-R172 VanDerWaalsContact O-CD 3.29Å; A168-R172 WeakPolarHBondContact O-CD 3.31Å; A168-R172 WeakPolarHBondContact O-CG 3.42Å; A168-R172 PolarHBondContact O-NE 2.75Å
169	H	93.2	Very high	92.7	Very high	55 Å²	55	56.7 Å²	56.7	26%	0.255	27%	0.268	S	S	.	.	H	α-helix	trans	-76.9	-44.7	172.3	-176.7	47.9	0	0	0	111.9	R165 L166 V167 R172 L173 F423	R165-H169 PolarHBondContact O-N 3.35Å; L166-H169 PolarHBondContact O-N 2.64Å; V167-H169 VanDerWaalsContact C-N 3.27Å; V167-H169 PolarHBondContact O-N 2.76Å; H169-R172 PolarHBondContact O-N 3.08Å; H169-L173 PolarHBondContact O-N 2.9Å; H169-L173 VanDerWaalsContact O-N 3.16Å; H169-F423 AromaticContact CD2-CE1 3.43Å; H169-F423 VanDerWaalsContact CD2-CE1 3.43Å; H169-F423 WeakPolarHBondContact CD2-CE1 3.4Å; H169-F423 AromaticContact CD2-CZ 3.95Å
170	A	93.3	Very high	92.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-45	-180	0	0	0	0	0	112.1	L166 V167 R172 L173 Y174 L197 M422 F423	L166-A170 WeakPolarHBondContact O-CB 3.47Å; L166-A170 PolarHBondContact O-N 3.24Å; V167-A170 PolarHBondContact O-N 3.19Å; A170-R172 VanDerWaalsContact C-N 3.35Å; A170-R172 PolarHBondContact O-N 3.01Å; A170-L173 PolarHBondContact O-N 2.74Å; A170-Y174 VanDerWaalsContact O-CB 3.25Å; A170-Y174 WeakPolarHBondContact O-CB 3.26Å; A170-Y174 PolarHBondContact O-N 3.3Å; A170-L197 HydrophobicContact CB-CD2 3.6Å; A170-M422 HydrophobicContact CB-CE 4.04Å; A170-F423 HydrophobicContact CB-CE1 3.74Å; A170-F423 HydrophobicContact CB-CZ 3.93Å
171	Y	94.2	Very high	92.2	Very high	110 Å²	110	59.1 Å²	59.1	43%	0.431	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-38.1	175.9	-70.1	-6	0	0	0	112.6	V167 L173 Y174 F175 L197	V167-Y171 HydrophobicContact CG1-CD1 4.27Å; V167-Y171 HydrophobicContact CG1-CD2 3.87Å; V167-Y171 HydrophobicContact CG1-CE1 3.92Å; V167-Y171 HydrophobicContact CG1-CE2 3.5Å; V167-Y171 HydrophobicContact CG1-CG 4.25Å; V167-Y171 WeakPolarHBondContact O-CB 3.34Å; V167-Y171 PolarHBondContact O-N 3.36Å; Y171-L173 VanDerWaalsContact C-N 3.31Å; Y171-L173 PolarHBondContact O-N 3.08Å; Y171-Y174 PolarHBondContact O-N 3.05Å; Y171-F175 WeakPolarHBondContact O-CD2 3.47Å; Y171-F175 PolarHBondContact O-N 2.82Å; Y171-L197 HydrophobicContact CD1-CD2 4.23Å; Y171-L197 HydrophobicContact CE1-CD2 4.27Å
172	R	93.6	Very high	92	Very high	193 Å²	193	59.8 Å²	59.8	73%	0.728	27%	0.269	S	S	*	.	H	α-helix	trans	-63	-36	175.6	-74.4	170.9	-168.1	-179.2	3.6	112.7	A168 H169 A170 S176	A168-R172 VanDerWaalsContact O-CD 3.29Å; A168-R172 WeakPolarHBondContact O-CD 3.31Å; A168-R172 WeakPolarHBondContact O-CG 3.42Å; A168-R172 PolarHBondContact O-NE 2.75Å; H169-R172 PolarHBondContact O-N 3.08Å; A170-R172 VanDerWaalsContact C-N 3.35Å; A170-R172 PolarHBondContact O-N 3.01Å; R172-S176 VanDerWaalsContact O-CB 3.31Å; R172-S176 WeakPolarHBondContact O-CB 3.48Å; R172-S176 PolarHBondContact O-N 3.13Å
173	L	92.3	Very high	91.7	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-75	-50.3	174.7	-71.7	168.8	0	0	0	111.1	H169 A170 Y171 F175 S176 F423 F426	H169-L173 PolarHBondContact O-N 2.9Å; H169-L173 VanDerWaalsContact O-N 3.16Å; A170-L173 PolarHBondContact O-N 2.74Å; Y171-L173 VanDerWaalsContact C-N 3.31Å; Y171-L173 PolarHBondContact O-N 3.08Å; L173-F175 VanDerWaalsContact C-N 3.35Å; L173-F175 PolarHBondContact O-N 3.14Å; L173-S176 WeakPolarHBondContact O-CB 3.39Å; L173-S176 PolarHBondContact O-N 2.84Å; L173-F423 HydrophobicContact CD1-CD1 3.73Å; L173-F423 HydrophobicContact CD1-CE1 4.14Å; L173-F426 HydrophobicContact CB-CB 4.23Å; L173-F426 HydrophobicContact CB-CD2 4.09Å
174	Y	93	Very high	91.3	Very high	38 Å²	38	58.4 Å²	58.4	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-38.1	-175.4	-169.2	-112.8	0	0	0	113.6	A170 Y171 T179 Y180 P193 L197 F426	A170-Y174 VanDerWaalsContact O-CB 3.25Å; A170-Y174 WeakPolarHBondContact O-CB 3.26Å; A170-Y174 PolarHBondContact O-N 3.3Å; Y171-Y174 PolarHBondContact O-N 3.05Å; Y174-T179 CarbonylContact O-C 3.41Å; Y174-T179 WeakPolarHBondContact O-CB 3.36Å; Y174-Y180 VanDerWaalsContact CE1-CB 3.43Å; Y174-Y180 VanDerWaalsContact CZ-CB 3.5Å; Y174-Y180 PolarHBondContact O-N 3.4Å; Y174-P193 HydrophobicContact CE2-CB 4.47Å; Y174-L197 HydrophobicContact CD1-CD1 4.04Å; Y174-L197 HydrophobicContact CD2-CD1 4.18Å; Y174-L197 HydrophobicContact CE1-CD1 4.03Å; Y174-L197 HydrophobicContact CE2-CD1 4.18Å; Y174-L197 HydrophobicContact CG-CD1 4.1Å; Y174-F426 HydrophobicContact CD2-CD1 4.43Å; Y174-F426 AromaticContact CD2-CE1 3.78Å; Y174-F426 HydrophobicContact CD2-CE1 3.78Å; Y174-F426 AromaticContact CD2-CE2 3.89Å; Y174-F426 HydrophobicContact CD2-CE2 3.89Å; Y174-F426 AromaticContact CD2-CZ 3.47Å; Y174-F426 HydrophobicContact CD2-CZ 3.47Å; Y174-F426 VanDerWaalsContact CD2-CZ 3.47Å; Y174-F426 HydrophobicContact CE2-CE1 4.21Å; Y174-F426 HydrophobicContact CE2-CZ 4.09Å; Y174-F426 HydrophobicContact CG-CE2 4.31Å; Y174-F426 HydrophobicContact CG-CZ 4.27Å
175	F	91.8	Very high	90.8	Very high	132 Å²	132	59.3 Å²	59.3	58%	0.579	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-3.6	175.4	-68.4	-72.8	0	0	0	114.2	Y171 L173 Y180	Y171-F175 WeakPolarHBondContact O-CD2 3.47Å; Y171-F175 PolarHBondContact O-N 2.82Å; L173-F175 VanDerWaalsContact C-N 3.35Å; L173-F175 PolarHBondContact O-N 3.14Å; F175-Y180 AromaticContact CD1-CD1 3.98Å; F175-Y180 HydrophobicContact CD1-CD1 3.98Å; F175-Y180 HydrophobicContact CD1-CE1 4.45Å; F175-Y180 HydrophobicContact CE1-CD1 4.45Å
176	S	90.6	Very high	90.3	Very high	33 Å²	33	55.6 Å²	55.6	23%	0.231	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-73.7	137.8	171.6	-168.4	0	0	0	0	110.9	R172 L173 Q178 T179 Q430	R172-S176 VanDerWaalsContact O-CB 3.31Å; R172-S176 WeakPolarHBondContact O-CB 3.48Å; R172-S176 PolarHBondContact O-N 3.13Å; L173-S176 WeakPolarHBondContact O-CB 3.39Å; L173-S176 PolarHBondContact O-N 2.84Å; S176-Q178 PolarHBondContact O-N 3.11Å; S176-T179 WeakPolarHBondContact O-CB 3.31Å; S176-T179 PolarHBondContact O-N 3.34Å; S176-T179 PolarHBondContact O-OG1 3.05Å; S176-Q430 PolarHBondContact OG-NE2 3.45Å
177	Q	85.6	Confident	89.6	Confident	115 Å²	115	55.9 Å²	55.9	54%	0.537	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	48.5	38.9	169.5	-59.2	-177	5.3	0	0	115	T179 R182 Q430	Q177-T179 PolarHBondContact O-N 3.36Å; Q177-R182 PolarHBondContact O-NH1 3.18Å; Q177-Q430 PolarHBondContact OE1-O 2.82Å
178	Q	89	Confident	88.6	Confident	63 Å²	63	56 Å²	56	29%	0.294	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	59.3	24.4	-178.7	-54.3	167.7	-15.4	0	0	114.2	S176 Y180 Y181 R182 G522	S176-Q178 PolarHBondContact O-N 3.11Å; Q178-Y180 HydrophobicContact CB-CE1 4.43Å; Q178-Y180 PolarHBondContact O-N 3.47Å; Q178-Y181 PolarHBondContact O-N 2.89Å; Q178-R182 PolarHBondContact O-N 2.79Å; Q178-G522 PolarHBondContact OE1-O 3.13Å
179	T	89.7	Confident	88	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-54.8	-38.1	-177.2	-64.5	0	0	0	0	112.1	Y174 S176 Q177 Y181 R182 V183 F426 V429	Y174-T179 CarbonylContact O-C 3.41Å; Y174-T179 WeakPolarHBondContact O-CB 3.36Å; S176-T179 WeakPolarHBondContact O-CB 3.31Å; S176-T179 PolarHBondContact O-N 3.34Å; S176-T179 PolarHBondContact O-OG1 3.05Å; Q177-T179 PolarHBondContact O-N 3.36Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 3.06Å; T179-R182 PolarHBondContact O-N 3.33Å; T179-R182 VanDerWaalsContact O-N 3.16Å; T179-V183 HydrophobicContact CG2-CG2 3.62Å; T179-V183 WeakPolarHBondContact O-CB 3.46Å; T179-V183 VanDerWaalsContact O-CG2 3.26Å; T179-V183 WeakPolarHBondContact O-CG2 3.37Å; T179-V183 PolarHBondContact O-N 3.41Å; T179-F426 HydrophobicContact CG2-CB 4.26Å; T179-F426 HydrophobicContact CG2-CG 4.43Å; T179-V429 HydrophobicContact CG2-CB 4.49Å; T179-V429 HydrophobicContact CG2-CG1 4.09Å
180	Y	90.8	Very high	87.4	Confident	100 Å²	100	55.3 Å²	55.3	39%	0.392	26%	0.258	S	S	.	.	H	α-helix	trans	-53	-44.2	173.8	67.5	-87.7	0	0	0	114	Y174 F175 Q178	Y174-Y180 VanDerWaalsContact CE1-CB 3.43Å; Y174-Y180 VanDerWaalsContact CZ-CB 3.5Å; Y174-Y180 PolarHBondContact O-N 3.4Å; F175-Y180 AromaticContact CD1-CD1 3.98Å; F175-Y180 HydrophobicContact CD1-CD1 3.98Å; F175-Y180 HydrophobicContact CD1-CE1 4.45Å; F175-Y180 HydrophobicContact CE1-CD1 4.45Å; Q178-Y180 HydrophobicContact CB-CE1 4.43Å; Q178-Y180 PolarHBondContact O-N 3.47Å
181	Y	89.9	Confident	86.2	Confident	42 Å²	42	65.7 Å²	65.7	17%	0.165	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-46.8	176.9	171.9	-96.5	0	0	0	110.4	Q178 T179 S184 N185 L523 W524	Q178-Y181 PolarHBondContact O-N 2.89Å; T179-Y181 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 3.06Å; Y181-S184 PolarHBondContact O-N 3.02Å; Y181-N185 HydrophobicContact CD2-CB 4.48Å; Y181-N185 WeakPolarHBondContact CD2-ND2 3.33Å; Y181-N185 HydrophobicContact CE1-CB 4.27Å; Y181-N185 HydrophobicContact CE2-CB 4.02Å; Y181-N185 WeakPolarHBondContact O-CB 3.46Å; Y181-N185 PolarHBondContact O-N 3.26Å; Y181-N185 PolarHBondContact O-ND2 2.61Å; Y181-L523 HydrophobicContact CD1-CB 4.25Å; Y181-L523 HydrophobicContact CD1-CD2 3.86Å; Y181-L523 HydrophobicContact CD2-CD2 4.48Å; Y181-L523 HydrophobicContact CE1-CB 3.84Å; Y181-L523 HydrophobicContact CE1-CD2 4.19Å; Y181-L523 HydrophobicContact CE1-CG 4.48Å; Y181-L523 HydrophobicContact CG-CD2 4.04Å; Y181-W524 PolarHBondContact OH-NE1 2.97Å
182	R	88.3	Confident	85.3	Confident	30 Å²	30	62.9 Å²	62.9	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-39.9	-174.1	-68.6	177.7	176.6	-179	1.9	113	Q177 Q178 T179 S184 M186 D187 V429 C432 F434 G522	Q177-R182 PolarHBondContact O-NH1 3.18Å; Q178-R182 PolarHBondContact O-N 2.79Å; T179-R182 PolarHBondContact O-N 3.33Å; T179-R182 VanDerWaalsContact O-N 3.16Å; R182-S184 VanDerWaalsContact C-N 3.29Å; R182-S184 PolarHBondContact O-N 3.13Å; R182-M186 HydrophobicContact CG-SD 4.12Å; R182-M186 WeakPolarHBondContact O-CA 3.5Å; R182-M186 VanDerWaalsContact O-CB 3.31Å; R182-M186 WeakPolarHBondContact O-CB 3.43Å; R182-M186 PolarHBondContact O-N 2.96Å; R182-D187 PolarHBondContact O-N 3.27Å; R182-V429 HydrophobicContact CB-CG1 3.36Å; R182-V429 HydrophobicContact CG-CG1 4.41Å; R182-C432 PolarHBondContact NH1-SG 3.33Å; R182-F434 HydrophobicContact CB-CE1 4.12Å; R182-G522 PolarHBondContact NH2-O 2.85Å
183	V	88.7	Confident	84.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-33.1	176	169.1	0	0	0	0	112	T179 D187 L190 P193 V425 F426 V429	T179-V183 HydrophobicContact CG2-CG2 3.62Å; T179-V183 WeakPolarHBondContact O-CB 3.46Å; T179-V183 VanDerWaalsContact O-CG2 3.26Å; T179-V183 WeakPolarHBondContact O-CG2 3.37Å; T179-V183 PolarHBondContact O-N 3.41Å; V183-D187 VanDerWaalsContact O-O 3.11Å; V183-L190 HydrophobicContact CG1-CB 4.4Å; V183-L190 HydrophobicContact CG1-CD1 3.86Å; V183-P193 HydrophobicContact CG1-CB 4.13Å; V183-P193 HydrophobicContact CG1-CG 4.43Å; V183-V425 HydrophobicContact CG1-CG1 4.37Å; V183-V425 HydrophobicContact CG2-CG1 4.32Å; V183-F426 HydrophobicContact CG1-CD1 4.43Å; V183-F426 HydrophobicContact CG1-CE1 4.12Å; V183-F426 HydrophobicContact CG2-CD1 3.8Å; V183-F426 HydrophobicContact CG2-CE1 4.2Å; V183-V429 HydrophobicContact CG2-CB 4.12Å; V183-V429 HydrophobicContact CG2-CG1 4Å; V183-V429 HydrophobicContact CG2-CG2 4.1Å
184	S	85.2	Confident	84.4	Confident	76 Å²	76	58 Å²	58	53%	0.531	28%	0.279	S	S	.	.	H	α-helix	trans	-91	-23	-178.1	-177.3	0	0	0	0	114.2	Y181 R182	Y181-S184 PolarHBondContact O-N 3.02Å; R182-S184 VanDerWaalsContact C-N 3.29Å; R182-S184 PolarHBondContact O-N 3.13Å
185	N	84.4	Confident	84	Confident	80 Å²	80	58.4 Å²	58.4	43%	0.428	28%	0.282	S	S	.	.	H	α-helix	trans	-123.1	-6.8	-171.3	-62.2	-90.9	0	0	0	114.8	Y181 P484	Y181-N185 HydrophobicContact CD2-CB 4.48Å; Y181-N185 WeakPolarHBondContact CD2-ND2 3.33Å; Y181-N185 HydrophobicContact CE1-CB 4.27Å; Y181-N185 HydrophobicContact CE2-CB 4.02Å; Y181-N185 WeakPolarHBondContact O-CB 3.46Å; Y181-N185 PolarHBondContact O-N 3.26Å; Y181-N185 PolarHBondContact O-ND2 2.61Å; N185-P484 WeakPolarHBondContact O-CB 3.31Å
186	M	80.7	Confident	83.7	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.069	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-41	-178.3	-62.6	-174.1	63.7	0	0	114.4	R182 F434 P484 P525 Y527	R182-M186 HydrophobicContact CG-SD 4.12Å; R182-M186 WeakPolarHBondContact O-CA 3.5Å; R182-M186 VanDerWaalsContact O-CB 3.31Å; R182-M186 WeakPolarHBondContact O-CB 3.43Å; R182-M186 PolarHBondContact O-N 2.96Å; M186-F434 HydrophobicContact CB-CD1 3.62Å; M186-F434 HydrophobicContact CB-CE1 3.7Å; M186-F434 HydrophobicContact CB-CG 4.36Å; M186-F434 HydrophobicContact CB-CZ 4.49Å; M186-F434 HydrophobicContact CE-CD1 4.12Å; M186-F434 HydrophobicContact CE-CD2 3.81Å; M186-F434 HydrophobicContact CE-CE1 3.8Å; M186-F434 HydrophobicContact CE-CE2 3.46Å; M186-F434 VanDerWaalsContact CE-CE2 3.46Å; M186-F434 HydrophobicContact CE-CG 4.13Å; M186-F434 HydrophobicContact CE-CZ 3.46Å; M186-F434 VanDerWaalsContact CE-CZ 3.46Å; M186-F434 HydrophobicContact CG-CE1 4.44Å; M186-F434 HydrophobicContact SD-CE1 3.92Å; M186-F434 HydrophobicContact SD-CE2 4.43Å; M186-F434 HydrophobicContact SD-CZ 3.83Å; M186-P484 HydrophobicContact CG-CB 4.41Å; M186-P484 HydrophobicContact CG-CG 4.18Å; M186-P525 VanDerWaalsContact CE-CD 3.42Å; M186-P525 HydrophobicContact CE-CG 3.95Å; M186-Y527 WeakPolarHBondContact CE-OH 3.41Å
187	D	79.6	Confident	83.5	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.043	25%	0.25	C	S	.	.			trans	-88.8	149.5	165.6	-154.9	-80.3	0	0	0	109.8	R182 V183 R189 V425 V429 K435	R182-D187 PolarHBondContact O-N 3.27Å; V183-D187 VanDerWaalsContact O-O 3.11Å; D187-R189 VanDerWaalsContact CG-NE 3.33Å; D187-R189 VanDerWaalsContact OD1-CB 3.28Å; D187-R189 WeakPolarHBondContact OD1-CB 3.44Å; D187-R189 VanDerWaalsContact OD1-CG 3.28Å; D187-R189 WeakPolarHBondContact OD1-CG 3.31Å; D187-R189 IonicContact OD1-CZ 3.36Å; D187-R189 PolarHBondContact OD1-N 3.19Å; D187-R189 IonicContact OD1-NE 2.85Å; D187-R189 PolarHBondContact OD1-NE 3.29Å; D187-R189 IonicContact OD1-NH2 2.7Å; D187-R189 IonicContact OD2-CZ 3.95Å; D187-R189 VanDerWaalsContact OD2-CZ 3.31Å; D187-R189 IonicContact OD2-NE 3.02Å; D187-R189 PolarHBondContact OD2-NE 2.86Å; D187-R189 VanDerWaalsContact OD2-NE 3.11Å; D187-R189 IonicContact OD2-NH2 3.71Å; D187-R189 PolarHBondContact OD2-NH2 3.4Å; D187-V425 HydrophobicContact CB-CG1 4.49Å; D187-V429 HydrophobicContact CB-CG2 3.78Å; D187-K435 PolarHBondContact OD2-N 3.22Å
188	G	73.3	Confident	83.6	Confident	28 Å²	28	50.3 Å²	50.3	29%	0.289	25%	0.249	S	C	.	.			trans	-123.1	9	-178.9	0	0	0	0	0	114.5	K435	G188-K435 PolarHBondContact N-O 3.48Å
189	R	81	Confident	83.6	Confident	61 Å²	61	50.6 Å²	50.6	23%	0.23	25%	0.251	C	S	.	.	S	Bend	trans	-71.1	-42	180	-68.2	174.5	-79.3	170.4	-12.7	112.4	D187 V425 D428	D187-R189 VanDerWaalsContact CG-NE 3.33Å; D187-R189 VanDerWaalsContact OD1-CB 3.28Å; D187-R189 WeakPolarHBondContact OD1-CB 3.44Å; D187-R189 VanDerWaalsContact OD1-CG 3.28Å; D187-R189 WeakPolarHBondContact OD1-CG 3.31Å; D187-R189 IonicContact OD1-CZ 3.36Å; D187-R189 PolarHBondContact OD1-N 3.19Å; D187-R189 IonicContact OD1-NE 2.85Å; D187-R189 PolarHBondContact OD1-NE 3.29Å; D187-R189 IonicContact OD1-NH2 2.7Å; D187-R189 IonicContact OD2-CZ 3.95Å; D187-R189 VanDerWaalsContact OD2-CZ 3.31Å; D187-R189 IonicContact OD2-NE 3.02Å; D187-R189 PolarHBondContact OD2-NE 2.86Å; D187-R189 VanDerWaalsContact OD2-NE 3.11Å; D187-R189 IonicContact OD2-NH2 3.71Å; D187-R189 PolarHBondContact OD2-NH2 3.4Å; R189-V425 HydrophobicContact CB-CG2 3.98Å; R189-D428 IonicContact CZ-OD2 2.88Å; R189-D428 IonicContact NH1-OD2 2.68Å; R189-D428 PolarHBondContact NH1-OD2 2.82Å; R189-D428 IonicContact NH2-OD2 2.77Å; R189-D428 PolarHBondContact NH2-OD2 3.45Å
190	L	79.9	Confident	83.6	Confident	19 Å²	19	51 Å²	51	10%	0.099	25%	0.253	C	S	.	.			trans	-93.8	106.3	177.5	-60.1	178.1	0	0	0	110.1	V183 P193 E421 M422 V425 F426	V183-L190 HydrophobicContact CG1-CB 4.4Å; V183-L190 HydrophobicContact CG1-CD1 3.86Å; L190-P193 HydrophobicContact CB-CB 4.42Å; L190-P193 HydrophobicContact CD1-CB 4.33Å; L190-E421 HydrophobicContact CD2-CG 4.39Å; L190-M422 HydrophobicContact CD1-CB 4.4Å; L190-M422 HydrophobicContact CD1-CG 4.21Å; L190-V425 HydrophobicContact CD1-CB 3.87Å; L190-V425 HydrophobicContact CD1-CG1 3.78Å; L190-V425 HydrophobicContact CD1-CG2 4.31Å; L190-V425 HydrophobicContact CD2-CG2 4.33Å; L190-V425 HydrophobicContact CG-CB 4.09Å; L190-V425 HydrophobicContact CG-CG1 3.98Å; L190-V425 HydrophobicContact CG-CG2 4Å; L190-F426 HydrophobicContact CD1-CD1 4.27Å; L190-F426 HydrophobicContact CD1-CE1 3.8Å
191	R	68.7	Low	83.7	Confident	219 Å²	219	46.2 Å²	46.2	83%	0.826	23%	0.234	S	C	*	.	S	Bend	trans	-68.2	-45.5	172.6	-66.1	-175.6	179.7	-177.3	-0.5	112.2	P193	R191-P193 WeakPolarHBondContact O-CD 3.27Å
192	N	76.4	Confident	83.8	Confident	52 Å²	52	46.8 Å²	46.8	28%	0.278	24%	0.242	S	C	.	.			trans	-124.9	73.7	-173.9	-59.1	4.2	0	0	0	110.6	D194 Q195 S196	N192-D194 VanDerWaalsContact CA-OD1 3.29Å; N192-D194 WeakPolarHBondContact CA-OD1 3.46Å; N192-D194 WeakPolarHBondContact CB-OD1 2.99Å; N192-D194 PolarHBondContact O-N 2.98Å; N192-Q195 HydrophobicContact CB-CB 3.84Å; N192-Q195 PolarHBondContact ND2-OE1 3.4Å; N192-Q195 PolarHBondContact O-N 3.16Å; N192-S196 PolarHBondContact O-N 3.27Å; N192-S196 PolarHBondContact O-OG 2.85Å
193	P	82.9	Confident	84	Confident	12 Å²	12	46.5 Å²	46.5	8%	0.078	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-26.7	-179.1	27.9	-34.8	0	0	0	112.8	Y174 V183 L190 R191 S196 L197	Y174-P193 HydrophobicContact CE2-CB 4.47Å; V183-P193 HydrophobicContact CG1-CB 4.13Å; V183-P193 HydrophobicContact CG1-CG 4.43Å; L190-P193 HydrophobicContact CB-CB 4.42Å; L190-P193 HydrophobicContact CD1-CB 4.33Å; R191-P193 WeakPolarHBondContact O-CD 3.27Å; P193-S196 PolarHBondContact O-N 3.14Å; P193-L197 WeakPolarHBondContact O-CB 3.45Å; P193-L197 VanDerWaalsContact O-CG 3.29Å; P193-L197 WeakPolarHBondContact O-CG 3.48Å; P193-L197 PolarHBondContact O-N 3.32Å
194	D	83.5	Confident	84.3	Confident	97 Å²	97	46.5 Å²	46.5	52%	0.519	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-47	171.2	65.1	-46.8	0	0	0	112	N192 L197 T198	N192-D194 VanDerWaalsContact CA-OD1 3.29Å; N192-D194 WeakPolarHBondContact CA-OD1 3.46Å; N192-D194 WeakPolarHBondContact CB-OD1 2.99Å; N192-D194 PolarHBondContact O-N 2.98Å; D194-L197 PolarHBondContact O-N 3.34Å; D194-T198 WeakPolarHBondContact O-CB 3.41Å; D194-T198 WeakPolarHBondContact O-CG2 3.47Å; D194-T198 PolarHBondContact O-N 2.7Å; D194-T198 PolarHBondContact O-OG1 2.87Å
195	Q	83.5	Confident	84.7	Confident	46 Å²	46	42.9 Å²	42.9	22%	0.215	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-39.5	177.5	-168.3	-178.9	6.9	0	0	111	N192 L197 T198 E199 D200	N192-Q195 HydrophobicContact CB-CB 3.84Å; N192-Q195 PolarHBondContact ND2-OE1 3.4Å; N192-Q195 PolarHBondContact O-N 3.16Å; Q195-L197 PolarHBondContact O-N 2.86Å; Q195-T198 PolarHBondContact O-N 2.94Å; Q195-E199 HydrophobicContact CG-CB 4.27Å; Q195-E199 HydrophobicContact CG-CG 4.26Å; Q195-E199 WeakPolarHBondContact CG-OE2 3.24Å; Q195-E199 PolarHBondContact NE2-OE2 3.18Å; Q195-E199 WeakPolarHBondContact O-CB 3.45Å; Q195-E199 PolarHBondContact O-N 3.07Å; Q195-D200 PolarHBondContact O-N 3.19Å
196	S	85.1	Confident	85.2	Confident	12 Å²	12	41.4 Å²	41.4	8%	0.084	22%	0.219	C	C	.	.	I	π-helix	trans	-62.8	-41.9	175.3	-60	0	0	0	0	112.3	N192 P193 V201	N192-S196 PolarHBondContact O-N 3.27Å; N192-S196 PolarHBondContact O-OG 2.85Å; P193-S196 PolarHBondContact O-N 3.14Å; S196-V201 WeakPolarHBondContact O-CG2 3.37Å; S196-V201 PolarHBondContact O-N 3.15Å
197	L	88.1	Confident	85.8	Confident	13 Å²	13	42 Å²	42	7%	0.068	23%	0.225	C	C	.	.	I	π-helix	trans	-68.6	-37.3	177.4	-78.3	168.3	0	0	0	113.5	A170 Y171 Y174 P193 D194 Q195 M422 F426	A170-L197 HydrophobicContact CB-CD2 3.6Å; Y171-L197 HydrophobicContact CD1-CD2 4.23Å; Y171-L197 HydrophobicContact CE1-CD2 4.27Å; Y174-L197 HydrophobicContact CD1-CD1 4.04Å; Y174-L197 HydrophobicContact CD2-CD1 4.18Å; Y174-L197 HydrophobicContact CE1-CD1 4.03Å; Y174-L197 HydrophobicContact CE2-CD1 4.18Å; Y174-L197 HydrophobicContact CG-CD1 4.1Å; P193-L197 WeakPolarHBondContact O-CB 3.45Å; P193-L197 VanDerWaalsContact O-CG 3.29Å; P193-L197 WeakPolarHBondContact O-CG 3.48Å; P193-L197 PolarHBondContact O-N 3.32Å; D194-L197 PolarHBondContact O-N 3.34Å; Q195-L197 PolarHBondContact O-N 2.86Å; L197-M422 HydrophobicContact CD2-CE 4.32Å; L197-M422 HydrophobicContact CD2-SD 3.9Å; L197-M422 HydrophobicContact CG-SD 3.95Å; L197-F426 HydrophobicContact CD1-CZ 4.36Å; L197-F426 HydrophobicContact CD2-CE2 4.07Å; L197-F426 HydrophobicContact CD2-CZ 4.23Å; L197-F426 HydrophobicContact CG-CZ 4.28Å
198	T	87.2	Confident	86.4	Confident	84 Å²	84	42.4 Å²	42.4	52%	0.515	23%	0.228	S	C	.	.	I	π-helix	trans	-101.3	-34	-168.5	57.7	0	0	0	0	114.8	D194 Q195 V202	D194-T198 WeakPolarHBondContact O-CB 3.41Å; D194-T198 WeakPolarHBondContact O-CG2 3.47Å; D194-T198 PolarHBondContact O-N 2.7Å; D194-T198 PolarHBondContact O-OG1 2.87Å; Q195-T198 PolarHBondContact O-N 2.94Å; T198-V202 WeakPolarHBondContact O-CG2 3.44Å
199	E	88.6	Confident	87.4	Confident	69 Å²	69	41.1 Å²	41.1	32%	0.322	21%	0.214	S	C	.	.	I	π-helix	trans	-103.9	-53.9	178.3	-64.8	-162	129.7	0	0	112.3	Q195 V201 V202 A203 R280	Q195-E199 HydrophobicContact CG-CB 4.27Å; Q195-E199 HydrophobicContact CG-CG 4.26Å; Q195-E199 WeakPolarHBondContact CG-OE2 3.24Å; Q195-E199 PolarHBondContact NE2-OE2 3.18Å; Q195-E199 WeakPolarHBondContact O-CB 3.45Å; Q195-E199 PolarHBondContact O-N 3.07Å; E199-V201 PolarHBondContact O-N 2.79Å; E199-V202 WeakPolarHBondContact O-CB 3.47Å; E199-V202 PolarHBondContact O-N 3.05Å; E199-V202 VanDerWaalsContact O-N 3.08Å; E199-A203 WeakPolarHBondContact O-CB 3.24Å; E199-A203 PolarHBondContact O-N 3.29Å; E199-R280 IonicContact OE1-CZ 3.45Å; E199-R280 IonicContact OE1-NH1 3.34Å; E199-R280 PolarHBondContact OE1-NH1 3.21Å; E199-R280 IonicContact OE1-NH2 3.8Å; E199-R280 PolarHBondContact OE1-NH2 3.24Å; E199-R280 IonicContact OE2-CZ 2.72Å; E199-R280 IonicContact OE2-NH1 3.67Å; E199-R280 PolarHBondContact OE2-NH1 2.82Å; E199-R280 IonicContact OE2-NH2 2.8Å
200	D	89.6	Confident	87.9	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.043	22%	0.22	C	C	.	.	I	π-helix	trans	-67.8	-39.5	-168.9	-76.9	-36.3	0	0	0	113	Q195 V202 A203 F204 R418 V419	Q195-D200 PolarHBondContact O-N 3.19Å; D200-V202 PolarHBondContact O-N 2.96Å; D200-A203 PolarHBondContact O-N 3.38Å; D200-F204 WeakPolarHBondContact O-CB 3.48Å; D200-F204 PolarHBondContact O-N 2.71Å; D200-R418 IonicContact OD1-CZ 3.74Å; D200-R418 VanDerWaalsContact OD1-CZ 3.27Å; D200-R418 IonicContact OD1-NE 3.36Å; D200-R418 PolarHBondContact OD1-NE 2.92Å; D200-R418 IonicContact OD1-NH2 2.71Å; D200-R418 PolarHBondContact OD1-NH2 2.99Å; D200-R418 WeakPolarHBondContact OD2-CD 3.41Å; D200-R418 IonicContact OD2-CZ 3.89Å; D200-R418 IonicContact OD2-NE 3.21Å; D200-R418 PolarHBondContact OD2-NE 3.47Å; D200-R418 IonicContact OD2-NH2 3.67Å; D200-V419 HydrophobicContact CB-CG2 3.85Å
201	V	92.6	Very high	88.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-34.4	173.2	169.9	0	0	0	0	111.7	L166 V167 S196 E199 A205 V419 M422	L166-V201 HydrophobicContact CB-CG1 3.57Å; L166-V201 HydrophobicContact CD1-CG1 4.21Å; V167-V201 HydrophobicContact CG2-CG1 3.73Å; S196-V201 WeakPolarHBondContact O-CG2 3.37Å; S196-V201 PolarHBondContact O-N 3.15Å; E199-V201 PolarHBondContact O-N 2.79Å; V201-A205 VanDerWaalsContact O-CB 3.31Å; V201-A205 WeakPolarHBondContact O-CB 3.37Å; V201-A205 PolarHBondContact O-N 3.06Å; V201-A205 VanDerWaalsContact O-N 3.1Å; V201-V419 HydrophobicContact CG2-CG1 4.14Å; V201-V419 HydrophobicContact CG2-CG2 4.14Å; V201-M422 HydrophobicContact CG2-CE 3.89Å; V201-M422 HydrophobicContact CG2-SD 4.5Å
202	V	93.6	Very high	89.5	Confident	55 Å²	55	34.5 Å²	34.5	33%	0.333	19%	0.193	S	C	.	.	H	α-helix	trans	-75.5	-45.9	-179.5	-178.2	0	0	0	0	110.7	R163 T198 E199 D200 A205 A206	R163-V202 HydrophobicContact CG-CG2 4.07Å; T198-V202 WeakPolarHBondContact O-CG2 3.44Å; E199-V202 WeakPolarHBondContact O-CB 3.47Å; E199-V202 PolarHBondContact O-N 3.05Å; E199-V202 VanDerWaalsContact O-N 3.08Å; D200-V202 PolarHBondContact O-N 2.96Å; V202-A205 PolarHBondContact O-N 2.84Å; V202-A206 WeakPolarHBondContact O-CB 3.33Å; V202-A206 PolarHBondContact O-N 3.04Å
203	A	91.5	Very high	90.1	Very high	24 Å²	24	32.6 Å²	32.6	20%	0.198	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-45.2	175.4	0	0	0	0	0	111.4	E199 D200 A205 A206 S207 Y415	E199-A203 WeakPolarHBondContact O-CB 3.24Å; E199-A203 PolarHBondContact O-N 3.29Å; D200-A203 PolarHBondContact O-N 3.38Å; A203-A205 PolarHBondContact O-N 2.8Å; A203-A206 PolarHBondContact O-N 3.16Å; A203-S207 WeakPolarHBondContact O-CB 3.31Å; A203-S207 PolarHBondContact O-N 3.14Å; A203-S207 PolarHBondContact O-OG 3.49Å; A203-S207 VanDerWaalsContact O-OG 3.13Å; A203-Y415 HydrophobicContact CB-CD1 3.66Å; A203-Y415 HydrophobicContact CB-CD2 4.25Å; A203-Y415 HydrophobicContact CB-CE1 3.35Å; A203-Y415 HydrophobicContact CB-CE2 3.99Å; A203-Y415 HydrophobicContact CB-CG 4.12Å
204	F	94.2	Very high	90.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.8	-51.3	172.8	177.2	-97.4	0	0	0	111.9	L75 L78 L82 L166 D200 A206 S207 V208 L412 T416 V419	L75-F204 HydrophobicContact CD1-CE2 3.95Å; L75-F204 HydrophobicContact CD1-CZ 4.08Å; L78-F204 HydrophobicContact CB-CE1 4.13Å; L78-F204 HydrophobicContact CB-CE2 4.48Å; L78-F204 HydrophobicContact CB-CZ 3.65Å; L78-F204 HydrophobicContact CD1-CD2 4.23Å; L78-F204 HydrophobicContact CD1-CE1 4.13Å; L78-F204 HydrophobicContact CD1-CE2 3.56Å; L78-F204 HydrophobicContact CD1-CZ 3.51Å; L78-F204 HydrophobicContact CG-CZ 4.2Å; L82-F204 HydrophobicContact CD1-CE1 4.33Å; L166-F204 HydrophobicContact CD1-CD1 3.53Å; L166-F204 HydrophobicContact CD1-CE1 3.79Å; D200-F204 WeakPolarHBondContact O-CB 3.48Å; D200-F204 PolarHBondContact O-N 2.71Å; F204-A206 VanDerWaalsContact C-N 3.32Å; F204-A206 PolarHBondContact O-N 3.09Å; F204-S207 PolarHBondContact O-N 3.46Å; F204-V208 HydrophobicContact CD1-CG2 4.32Å; F204-V208 HydrophobicContact CD2-CG2 4.19Å; F204-V208 HydrophobicContact CE1-CG2 3.94Å; F204-V208 HydrophobicContact CE2-CG2 3.78Å; F204-V208 HydrophobicContact CG-CG2 4.44Å; F204-V208 HydrophobicContact CZ-CG2 3.64Å; F204-V208 WeakPolarHBondContact O-CG2 3.26Å; F204-V208 PolarHBondContact O-N 2.9Å; F204-L412 HydrophobicContact CD2-CD1 3.6Å; F204-L412 HydrophobicContact CE2-CD1 3.71Å; F204-T416 WeakPolarHBondContact CE2-OG1 3.06Å; F204-V419 HydrophobicContact CB-CG2 4.04Å; F204-V419 HydrophobicContact CG-CG2 4.47Å
205	A	94.8	Very high	90.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-37.8	-178.1	0	0	0	0	0	112.8	F162 R163 V201 V202 A203 A209	F162-A205 HydrophobicContact CB-CB 3.98Å; R163-A205 HydrophobicContact CB-CB 3.83Å; V201-A205 VanDerWaalsContact O-CB 3.31Å; V201-A205 WeakPolarHBondContact O-CB 3.37Å; V201-A205 PolarHBondContact O-N 3.06Å; V201-A205 VanDerWaalsContact O-N 3.1Å; V202-A205 PolarHBondContact O-N 2.84Å; A203-A205 PolarHBondContact O-N 2.8Å; A205-A209 PolarHBondContact O-N 3.43Å
206	A	94.6	Very high	90.8	Very high	48 Å²	48	30.5 Å²	30.5	40%	0.397	17%	0.174	S	C	.	.	H	α-helix	trans	-69.2	-49.4	174.2	0	0	0	0	0	112	V202 A203 F204 V208 A209 H210	V202-A206 WeakPolarHBondContact O-CB 3.33Å; V202-A206 PolarHBondContact O-N 3.04Å; A203-A206 PolarHBondContact O-N 3.16Å; F204-A206 VanDerWaalsContact C-N 3.32Å; F204-A206 PolarHBondContact O-N 3.09Å; A206-V208 PolarHBondContact O-N 3.48Å; A206-A209 PolarHBondContact O-N 2.85Å; A206-H210 WeakPolarHBondContact O-CB 3.48Å; A206-H210 PolarHBondContact O-N 3.45Å
207	S	92.8	Very high	90.9	Very high	26 Å²	26	31.8 Å²	31.8	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-38.3	179.5	-66.8	0	0	0	0	112.7	A203 F204 L211	A203-S207 WeakPolarHBondContact O-CB 3.31Å; A203-S207 PolarHBondContact O-N 3.14Å; A203-S207 PolarHBondContact O-OG 3.49Å; A203-S207 VanDerWaalsContact O-OG 3.13Å; F204-S207 PolarHBondContact O-N 3.46Å; S207-L211 WeakPolarHBondContact O-CB 3.45Å; S207-L211 PolarHBondContact O-N 2.93Å
208	V	93.7	Very high	91	Very high	17 Å²	17	31.2 Å²	31.2	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-42.8	175.7	173.1	0	0	0	0	111.6	L79 L82 F162 F204 A206 Y212 L412	L79-V208 HydrophobicContact CD2-CG1 4.39Å; L82-V208 HydrophobicContact CD1-CG1 4.41Å; F162-V208 HydrophobicContact CD2-CG1 4.25Å; F162-V208 HydrophobicContact CE2-CG1 3.85Å; F204-V208 HydrophobicContact CD1-CG2 4.32Å; F204-V208 HydrophobicContact CD2-CG2 4.19Å; F204-V208 HydrophobicContact CE1-CG2 3.94Å; F204-V208 HydrophobicContact CE2-CG2 3.78Å; F204-V208 HydrophobicContact CG-CG2 4.44Å; F204-V208 HydrophobicContact CZ-CG2 3.64Å; F204-V208 WeakPolarHBondContact O-CG2 3.26Å; F204-V208 PolarHBondContact O-N 2.9Å; A206-V208 PolarHBondContact O-N 3.48Å; V208-Y212 WeakPolarHBondContact O-CB 3.45Å; V208-Y212 PolarHBondContact O-N 3.19Å; V208-Y212 VanDerWaalsContact O-N 3.08Å; V208-L412 HydrophobicContact CG2-CD1 3.55Å; V208-L412 HydrophobicContact CG2-CD2 4.23Å
209	A	93.4	Very high	91	Very high	1 Å²	1	32 Å²	32	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-45.6	179	0	0	0	0	0	112.2	L158 A159 F162 A205 A206 Y212 S213	L158-A209 HydrophobicContact CB-CB 4.38Å; L158-A209 HydrophobicContact CD2-CB 4.23Å; L158-A209 HydrophobicContact CG-CB 4.38Å; A159-A209 HydrophobicContact CB-CB 3.78Å; F162-A209 HydrophobicContact CD2-CB 4.49Å; F162-A209 HydrophobicContact CE2-CB 4.42Å; A205-A209 PolarHBondContact O-N 3.43Å; A206-A209 PolarHBondContact O-N 2.85Å; A209-Y212 PolarHBondContact O-N 2.69Å; A209-S213 PolarHBondContact O-N 3.16Å
210	H	91.8	Very high	91	Very high	76 Å²	76	30.9 Å²	30.9	35%	0.352	17%	0.172	S	C	.	.	H	α-helix	trans	-60.9	-50	175.8	-173.3	-91.3	0	0	0	111.2	E155 A206 Y212 S213 N214 E408	E155-H210 IonicContact OE1-CD2 3.56Å; E155-H210 PolarHBondContact OE1-CD2 3.02Å; E155-H210 IonicContact OE1-CG 2.71Å; A206-H210 WeakPolarHBondContact O-CB 3.48Å; A206-H210 PolarHBondContact O-N 3.45Å; H210-Y212 VanDerWaalsContact C-N 3.28Å; H210-Y212 PolarHBondContact O-N 2.92Å; H210-S213 WeakPolarHBondContact O-CB 3.11Å; H210-S213 PolarHBondContact O-N 3.02Å; H210-S213 VanDerWaalsContact O-N 3.12Å; H210-N214 VanDerWaalsContact O-CB 3.26Å; H210-N214 WeakPolarHBondContact O-CB 3.33Å; H210-N214 PolarHBondContact O-N 3.23Å; H210-E408 IonicContact CE1-OE1 3.93Å; H210-E408 PolarHBondContact CE1-OE1 3.04Å; H210-E408 IonicContact CE1-OE2 3.99Å; H210-E408 PolarHBondContact CE1-OE2 3.16Å; H210-E408 VanDerWaalsContact CE1-OE2 3.25Å; H210-E408 IonicContact ND1-OE1 2.8Å; H210-E408 IonicContact ND1-OE2 2.67Å; H210-E408 PolarHBondContact ND1-OE2 3.17Å
211	L	91.4	Very high	90.9	Very high	17 Å²	17	31.4 Å²	31.4	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-35.1	-179.4	-175.1	70.5	0	0	0	112	S207 N214 L215 E408 V409 L412	S207-L211 WeakPolarHBondContact O-CB 3.45Å; S207-L211 PolarHBondContact O-N 2.93Å; L211-N214 PolarHBondContact O-N 3.34Å; L211-L215 HydrophobicContact CD1-CD1 3.79Å; L211-L215 HydrophobicContact CD1-CG 3.79Å; L211-L215 HydrophobicContact CD2-CD1 4.23Å; L211-L215 HydrophobicContact CG-CD1 3.73Å; L211-L215 HydrophobicContact CG-CG 4.1Å; L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 3.38Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.84Å; L211-E408 HydrophobicContact CD1-CB 3.99Å; L211-V409 HydrophobicContact CD1-CG2 3.76Å; L211-V409 HydrophobicContact CD2-CG2 3.91Å; L211-V409 HydrophobicContact CG-CG2 4.48Å; L211-L412 HydrophobicContact CD2-CD2 3.45Å; L211-L412 VanDerWaalsContact CD2-CD2 3.45Å
212	Y	91.3	Very high	90.5	Very high	68 Å²	68	33.2 Å²	33.2	27%	0.267	19%	0.186	S	C	.	.	H	α-helix	trans	-60.3	-50.3	172.8	-178.5	-89.3	0	0	0	111.6	L94 H97 S98 L101 V208 A209 H210 T216	L94-Y212 HydrophobicContact CD1-CD1 3.89Å; L94-Y212 HydrophobicContact CD1-CD2 4.14Å; L94-Y212 HydrophobicContact CD1-CE1 3.73Å; L94-Y212 HydrophobicContact CD1-CE2 3.98Å; L94-Y212 HydrophobicContact CD1-CG 4.1Å; H97-Y212 AromaticContact CD2-CD1 3.65Å; H97-Y212 AromaticContact CD2-CE1 3.7Å; H97-Y212 AromaticContact NE2-CD1 3.95Å; S98-Y212 PolarHBondContact OG-OH 3.19Å; L101-Y212 HydrophobicContact CD1-CE1 4.12Å; V208-Y212 WeakPolarHBondContact O-CB 3.45Å; V208-Y212 PolarHBondContact O-N 3.19Å; V208-Y212 VanDerWaalsContact O-N 3.08Å; A209-Y212 PolarHBondContact O-N 2.69Å; H210-Y212 VanDerWaalsContact C-N 3.28Å; H210-Y212 PolarHBondContact O-N 2.92Å; Y212-T216 HydrophobicContact CE1-CG2 4.42Å; Y212-T216 WeakPolarHBondContact O-CB 3.36Å; Y212-T216 PolarHBondContact O-N 3.46Å; Y212-T216 PolarHBondContact O-OG1 3.34Å
213	S	88.3	Confident	90.1	Very high	11 Å²	11	33.4 Å²	33.4	8%	0.077	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-47.2	176.9	-175.4	0	0	0	0	111.5	E155 A209 H210 K217	E155-S213 WeakPolarHBondContact OE2-CB 3.04Å; E155-S213 PolarHBondContact OE2-OG 3.33Å; A209-S213 PolarHBondContact O-N 3.16Å; H210-S213 WeakPolarHBondContact O-CB 3.11Å; H210-S213 PolarHBondContact O-N 3.02Å; H210-S213 VanDerWaalsContact O-N 3.12Å; S213-K217 WeakPolarHBondContact O-CB 3.39Å; S213-K217 PolarHBondContact O-N 3.16Å
214	N	87.7	Confident	89.8	Confident	29 Å²	29	33.6 Å²	33.6	16%	0.155	19%	0.192	C	C	.	.	H	α-helix	trans	-81	-19.7	-171.1	-153.1	26.5	0	0	0	114.2	H210 L211 P218 E408	H210-N214 VanDerWaalsContact O-CB 3.26Å; H210-N214 WeakPolarHBondContact O-CB 3.33Å; H210-N214 PolarHBondContact O-N 3.23Å; L211-N214 PolarHBondContact O-N 3.34Å; N214-P218 WeakPolarHBondContact O-CD 3.27Å; N214-P218 WeakPolarHBondContact O-CG 3.29Å; N214-E408 VanDerWaalsContact ND2-CD 3.33Å; N214-E408 PolarHBondContact ND2-OE1 3.35Å; N214-E408 PolarHBondContact ND2-OE2 2.8Å; N214-E408 VanDerWaalsContact ND2-OE2 3.08Å
215	L	87.9	Confident	89.1	Confident	49 Å²	49	33.9 Å²	33.9	26%	0.257	19%	0.193	S	C	.	.	H	α-helix	trans	-88.8	-51.1	166.9	-74.1	176.5	0	0	0	112.4	L211 K217 P218 L219 S405	L211-L215 HydrophobicContact CD1-CD1 3.79Å; L211-L215 HydrophobicContact CD1-CG 3.79Å; L211-L215 HydrophobicContact CD2-CD1 4.23Å; L211-L215 HydrophobicContact CG-CD1 3.73Å; L211-L215 HydrophobicContact CG-CG 4.1Å; L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 3.38Å; L211-L215 WeakPolarHBondContact O-CG 3.32Å; L211-L215 PolarHBondContact O-N 2.84Å; L215-K217 VanDerWaalsContact C-N 3.34Å; L215-K217 PolarHBondContact O-N 2.68Å; L215-P218 WeakPolarHBondContact O-CD 3.25Å; L215-L219 HydrophobicContact CB-CD1 4.48Å; L215-L219 WeakPolarHBondContact O-CB 3.43Å; L215-L219 VanDerWaalsContact O-CG 3.28Å; L215-L219 WeakPolarHBondContact O-CG 3.31Å; L215-L219 PolarHBondContact O-N 3.45Å; L215-L219 VanDerWaalsContact O-N 3.08Å; L215-S405 WeakPolarHBondContact CD2-OG 3.5Å
216	T	89.7	Confident	88.4	Confident	33 Å²	33	36.8 Å²	36.8	20%	0.202	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-40.2	-167.1	-56	0	0	0	0	111.7	L101 Y212 L220	L101-T216 HydrophobicContact CD1-CG2 3.89Å; Y212-T216 HydrophobicContact CE1-CG2 4.42Å; Y212-T216 WeakPolarHBondContact O-CB 3.36Å; Y212-T216 PolarHBondContact O-N 3.46Å; Y212-T216 PolarHBondContact O-OG1 3.34Å; T216-L220 HydrophobicContact CG2-CD1 4.11Å; T216-L220 PolarHBondContact O-N 3.41Å
217	K	86.7	Confident	87.8	Confident	39 Å²	39	41.3 Å²	41.3	17%	0.17	22%	0.221	C	C	.	.	H	α-helix	trans	-67.9	-52.3	179.7	170.3	-178	174.3	-170.3	0	112.7	L101 S213 L215 L219 L220 D221	L101-K217 HydrophobicContact CD1-CB 4.38Å; L101-K217 HydrophobicContact CD2-CB 4.15Å; L101-K217 HydrophobicContact CD2-CD 4.5Å; S213-K217 WeakPolarHBondContact O-CB 3.39Å; S213-K217 PolarHBondContact O-N 3.16Å; L215-K217 VanDerWaalsContact C-N 3.34Å; L215-K217 PolarHBondContact O-N 2.68Å; K217-L219 VanDerWaalsContact C-N 3.29Å; K217-L219 PolarHBondContact O-N 2.84Å; K217-L220 WeakPolarHBondContact O-CB 3.35Å; K217-L220 PolarHBondContact O-N 3.23Å; K217-L220 VanDerWaalsContact O-N 3.14Å; K217-D221 VanDerWaalsContact O-CG 3.31Å; K217-D221 PolarHBondContact O-N 3.44Å
218	P	89.3	Confident	87.2	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-37.4	172.3	-34.4	41.8	0	0	0	115	N214 L215 D221 V222 A398 R401 I402	N214-P218 WeakPolarHBondContact O-CD 3.27Å; N214-P218 WeakPolarHBondContact O-CG 3.29Å; L215-P218 WeakPolarHBondContact O-CD 3.25Å; P218-D221 PolarHBondContact O-N 3.25Å; P218-V222 WeakPolarHBondContact O-CB 3.45Å; P218-V222 VanDerWaalsContact O-CG2 3.23Å; P218-V222 WeakPolarHBondContact O-CG2 3.29Å; P218-V222 PolarHBondContact O-N 2.76Å; P218-A398 HydrophobicContact CB-CB 4Å; P218-A398 WeakPolarHBondContact CB-O 3.17Å; P218-R401 HydrophobicContact CG-CB 3.87Å; P218-I402 HydrophobicContact CB-CD1 3.83Å; P218-I402 HydrophobicContact CB-CG1 3.52Å; P218-I402 HydrophobicContact CG-CG1 4.5Å
219	L	87.8	Confident	86.3	Confident	100 Å²	100	41.8 Å²	41.8	52%	0.524	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-40.4	175.6	-70.5	168.4	0	0	0	112	L215 K217 A223 I402	L215-L219 HydrophobicContact CB-CD1 4.48Å; L215-L219 WeakPolarHBondContact O-CB 3.43Å; L215-L219 VanDerWaalsContact O-CG 3.28Å; L215-L219 WeakPolarHBondContact O-CG 3.31Å; L215-L219 PolarHBondContact O-N 3.45Å; L215-L219 VanDerWaalsContact O-N 3.08Å; K217-L219 VanDerWaalsContact C-N 3.29Å; K217-L219 PolarHBondContact O-N 2.84Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.4Å; L219-A223 PolarHBondContact O-N 2.8Å; L219-I402 HydrophobicContact CD2-CD1 4Å; L219-I402 HydrophobicContact CG-CD1 4.35Å
220	L	88.7	Confident	85.3	Confident	47 Å²	47	45 Å²	45	25%	0.246	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-47.9	170.8	-82	161	0	0	0	112	L101 V102 T105 T216 K217 V222 A223 V224	L101-L220 HydrophobicContact CB-CD1 4.37Å; V102-L220 HydrophobicContact CG2-CD1 3.68Å; V102-L220 HydrophobicContact CG2-CD2 4.1Å; T105-L220 HydrophobicContact CG2-CB 4.31Å; T216-L220 HydrophobicContact CG2-CD1 4.11Å; T216-L220 PolarHBondContact O-N 3.41Å; K217-L220 WeakPolarHBondContact O-CB 3.35Å; K217-L220 PolarHBondContact O-N 3.23Å; K217-L220 VanDerWaalsContact O-N 3.14Å; L220-V222 VanDerWaalsContact C-N 3.34Å; L220-V222 PolarHBondContact O-N 3.43Å; L220-A223 PolarHBondContact O-N 3.01Å; L220-V224 WeakPolarHBondContact O-CB 3.45Å; L220-V224 WeakPolarHBondContact O-CG2 3.34Å; L220-V224 PolarHBondContact O-N 3.01Å
221	D	86.6	Confident	84.5	Confident	19 Å²	19	46 Å²	46	10%	0.102	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-43	179.9	-69.3	-23.9	0	0	0	110.8	T105 K217 P218 T225 A398	T105-D221 WeakPolarHBondContact CA-OD1 3.39Å; T105-D221 VanDerWaalsContact CB-OD1 3.27Å; T105-D221 WeakPolarHBondContact CB-OD1 3.32Å; T105-D221 VanDerWaalsContact CG2-OD1 3.31Å; T105-D221 WeakPolarHBondContact CG2-OD1 3.3Å; T105-D221 PolarHBondContact OG1-OD1 3Å; K217-D221 VanDerWaalsContact O-CG 3.31Å; K217-D221 PolarHBondContact O-N 3.44Å; P218-D221 PolarHBondContact O-N 3.25Å; D221-T225 VanDerWaalsContact O-CB 3.29Å; D221-T225 WeakPolarHBondContact O-CB 3.26Å; D221-T225 WeakPolarHBondContact O-CG2 3.47Å; D221-T225 PolarHBondContact O-N 3.47Å; D221-T225 PolarHBondContact O-OG1 2.88Å; D221-A398 HydrophobicContact CB-CB 4.06Å
222	V	84.1	Confident	83.4	Confident	38 Å²	38	47 Å²	47	23%	0.23	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-45.5	174.9	172.3	0	0	0	0	112.2	P218 L220 V224 T225 S226 A398 I399 I402	P218-V222 WeakPolarHBondContact O-CB 3.45Å; P218-V222 VanDerWaalsContact O-CG2 3.23Å; P218-V222 WeakPolarHBondContact O-CG2 3.29Å; P218-V222 PolarHBondContact O-N 2.76Å; L220-V222 VanDerWaalsContact C-N 3.34Å; L220-V222 PolarHBondContact O-N 3.43Å; V222-V224 PolarHBondContact O-N 3.02Å; V222-T225 WeakPolarHBondContact CA-OG1 3.31Å; V222-T225 PolarHBondContact O-OG1 2.87Å; V222-T225 VanDerWaalsContact O-OG1 3.14Å; V222-S226 WeakPolarHBondContact O-CB 3.23Å; V222-S226 PolarHBondContact O-N 2.93Å; V222-A398 HydrophobicContact CG2-CB 3.8Å; V222-I399 HydrophobicContact CG1-CD1 4.25Å; V222-I399 HydrophobicContact CG2-CD1 3.78Å; V222-I399 HydrophobicContact CG2-CG1 3.52Å; V222-I402 HydrophobicContact CG2-CD1 4.3Å
223	A	86.3	Confident	82.3	Confident	59 Å²	59	45 Å²	45	49%	0.488	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-43.9	179.3	0	0	0	0	0	111.8	L219 L220 Y227	L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.4Å; L219-A223 PolarHBondContact O-N 2.8Å; L220-A223 PolarHBondContact O-N 3.01Å; A223-Y227 VanDerWaalsContact O-CB 3.31Å; A223-Y227 WeakPolarHBondContact O-CB 2.96Å; A223-Y227 PolarHBondContact O-N 3.14Å
224	V	85.8	Confident	81.3	Confident	28 Å²	28	53 Å²	53	17%	0.17	28%	0.28	C	S	.	.	H	α-helix	trans	-77.6	-37.2	-177.8	-177.7	0	0	0	0	112	T105 V109 L220 V222 T228	T105-V224 HydrophobicContact CG2-CB 3.9Å; T105-V224 HydrophobicContact CG2-CG1 4.37Å; T105-V224 HydrophobicContact CG2-CG2 3.81Å; V109-V224 HydrophobicContact CG2-CG1 3.88Å; L220-V224 WeakPolarHBondContact O-CB 3.45Å; L220-V224 WeakPolarHBondContact O-CG2 3.34Å; L220-V224 PolarHBondContact O-N 3.01Å; V222-V224 PolarHBondContact O-N 3.02Å; V224-T228 HydrophobicContact CG1-CG2 4.35Å; V224-T228 WeakPolarHBondContact O-CB 3.32Å; V224-T228 WeakPolarHBondContact O-CG2 3.44Å; V224-T228 PolarHBondContact O-N 2.86Å; V224-T228 PolarHBondContact O-OG1 2.75Å
225	T	79.7	Confident	80.3	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-45.7	172.2	49.7	0	0	0	0	111.1	D221 V222 T228 L229 L391 A395	D221-T225 VanDerWaalsContact O-CB 3.29Å; D221-T225 WeakPolarHBondContact O-CB 3.26Å; D221-T225 WeakPolarHBondContact O-CG2 3.47Å; D221-T225 PolarHBondContact O-N 3.47Å; D221-T225 PolarHBondContact O-OG1 2.88Å; V222-T225 WeakPolarHBondContact CA-OG1 3.31Å; V222-T225 PolarHBondContact O-OG1 2.87Å; V222-T225 VanDerWaalsContact O-OG1 3.14Å; T225-T228 PolarHBondContact O-N 3.28Å; T225-T228 PolarHBondContact O-OG1 3.46Å; T225-L229 WeakPolarHBondContact O-CB 3.5Å; T225-L229 VanDerWaalsContact O-CG 3.26Å; T225-L229 WeakPolarHBondContact O-CG 3.4Å; T225-L229 PolarHBondContact O-N 3.07Å; T225-L391 HydrophobicContact CG2-CB 4.39Å; T225-L391 HydrophobicContact CG2-CD2 4.06Å; T225-A395 HydrophobicContact CG2-CB 4.47Å
226	S	78.6	Confident	79.1	Confident	60 Å²	60	59.4 Å²	59.4	42%	0.42	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-49	175.8	-177.4	0	0	0	0	112	V222 T228 L229 L230	V222-S226 WeakPolarHBondContact O-CB 3.23Å; V222-S226 PolarHBondContact O-N 2.93Å; S226-T228 PolarHBondContact O-N 3.11Å; S226-L229 PolarHBondContact O-N 2.91Å; S226-L230 WeakPolarHBondContact O-CB 3.35Å; S226-L230 WeakPolarHBondContact O-CG 3.23Å; S226-L230 PolarHBondContact O-N 3.09Å
227	Y	83	Confident	77.6	Confident	143 Å²	143	59.9 Å²	59.9	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-59.3	-45.5	176.2	178	-92.4	0	0	0	112.6	A223 L230 Q231	A223-Y227 VanDerWaalsContact O-CB 3.31Å; A223-Y227 WeakPolarHBondContact O-CB 2.96Å; A223-Y227 PolarHBondContact O-N 3.14Å; Y227-L230 PolarHBondContact O-N 3.29Å; Y227-Q231 WeakPolarHBondContact O-CB 3.45Å; Y227-Q231 PolarHBondContact O-N 3.11Å
228	T	79.9	Confident	76.4	Confident	13 Å²	13	58.9 Å²	58.9	8%	0.08	32%	0.321	C	S	.	.	H	α-helix	trans	-71.8	-33.7	-178.1	50.8	0	0	0	0	113.1	V109 V224 T225 S226 A232	V109-T228 HydrophobicContact CG1-CG2 4.3Å; V224-T228 HydrophobicContact CG1-CG2 4.35Å; V224-T228 WeakPolarHBondContact O-CB 3.32Å; V224-T228 WeakPolarHBondContact O-CG2 3.44Å; V224-T228 PolarHBondContact O-N 2.86Å; V224-T228 PolarHBondContact O-OG1 2.75Å; T225-T228 PolarHBondContact O-N 3.28Å; T225-T228 PolarHBondContact O-OG1 3.46Å; S226-T228 PolarHBondContact O-N 3.11Å; T228-A232 WeakPolarHBondContact O-CB 3.47Å; T228-A232 PolarHBondContact O-N 2.79Å
229	L	74.2	Confident	75.2	Confident	40 Å²	40	61.8 Å²	61.8	21%	0.209	35%	0.352	C	S	.	.	H	α-helix	trans	-65.5	-45.5	170.5	-72.2	167	0	0	0	111.5	T225 S226 Q231 A232 A233 A388 L391 L392	T225-L229 WeakPolarHBondContact O-CB 3.5Å; T225-L229 VanDerWaalsContact O-CG 3.26Å; T225-L229 WeakPolarHBondContact O-CG 3.4Å; T225-L229 PolarHBondContact O-N 3.07Å; S226-L229 PolarHBondContact O-N 2.91Å; L229-Q231 PolarHBondContact O-N 3.44Å; L229-A232 PolarHBondContact O-N 3.37Å; L229-A233 WeakPolarHBondContact O-CB 3.48Å; L229-A233 PolarHBondContact O-N 3.5Å; L229-A388 HydrophobicContact CD2-CB 4.03Å; L229-L391 HydrophobicContact CD2-CB 4.28Å; L229-L391 HydrophobicContact CD2-CD1 4.2Å; L229-L391 HydrophobicContact CG-CB 4.42Å; L229-L391 HydrophobicContact CG-CD1 4.37Å; L229-L392 HydrophobicContact CD1-CD2 3.81Å; L229-L392 HydrophobicContact CD1-CG 4.01Å
230	L	73.1	Confident	74.1	Confident	69 Å²	69	59 Å²	59	36%	0.361	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-42.9	175.2	-78.5	167	0	0	0	112.2	S226 Y227 A233 R234 T240	S226-L230 WeakPolarHBondContact O-CB 3.35Å; S226-L230 WeakPolarHBondContact O-CG 3.23Å; S226-L230 PolarHBondContact O-N 3.09Å; Y227-L230 PolarHBondContact O-N 3.29Å; L230-A233 PolarHBondContact O-N 2.8Å; L230-R234 WeakPolarHBondContact O-CB 3.43Å; L230-R234 WeakPolarHBondContact O-CG 3.4Å; L230-R234 PolarHBondContact O-N 3.44Å; L230-T240 HydrophobicContact CD2-CG2 4.36Å
231	Q	75.1	Confident	73.1	Confident	98 Å²	98	60 Å²	60	46%	0.458	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-43.5	176.8	-167.2	177.2	24.8	0	0	111.5	Y227 L229 A233 R234 S235	Y227-Q231 WeakPolarHBondContact O-CB 3.45Å; Y227-Q231 PolarHBondContact O-N 3.11Å; L229-Q231 PolarHBondContact O-N 3.44Å; Q231-A233 VanDerWaalsContact C-N 3.31Å; Q231-A233 PolarHBondContact O-N 3.09Å; Q231-R234 PolarHBondContact O-N 3.46Å; Q231-S235 WeakPolarHBondContact O-CB 3.36Å; Q231-S235 PolarHBondContact O-N 2.63Å; Q231-S235 PolarHBondContact O-OG 2.91Å
232	A	68.3	Low	72.2	Confident	36 Å²	36	68 Å²	68	30%	0.298	38%	0.383	S	S	.	.	H	α-helix	trans	-70.1	-23.1	179.5	0	0	0	0	0	114.2	T228 L229 S235 R236	T228-A232 WeakPolarHBondContact O-CB 3.47Å; T228-A232 PolarHBondContact O-N 2.79Å; L229-A232 PolarHBondContact O-N 3.37Å; A232-S235 PolarHBondContact O-OG 3.03Å; A232-R236 PolarHBondContact O-NH1 2.93Å
233	A	66.8	Low	71.5	Confident	26 Å²	26	67.2 Å²	67.2	22%	0.215	38%	0.379	C	S	.	.	H	α-helix	trans	-79.2	-47.5	170.8	0	0	0	0	0	111.6	L229 L230 Q231 S235 R236 A238 T240	L229-A233 WeakPolarHBondContact O-CB 3.48Å; L229-A233 PolarHBondContact O-N 3.5Å; L230-A233 PolarHBondContact O-N 2.8Å; Q231-A233 VanDerWaalsContact C-N 3.31Å; Q231-A233 PolarHBondContact O-N 3.09Å; A233-S235 VanDerWaalsContact C-N 3.31Å; A233-S235 PolarHBondContact O-N 2.99Å; A233-R236 PolarHBondContact O-N 2.93Å; A233-R236 VanDerWaalsContact O-N 3.09Å; A233-A238 PolarHBondContact O-N 3.13Å; A233-T240 HydrophobicContact CB-CG2 3.98Å
234	R	67.9	Low	70.9	Confident	181 Å²	181	67.5 Å²	67.5	68%	0.683	38%	0.377	S	S	*	.	H	α-helix	trans	-58.9	-40.6	176.2	-75	179.2	178	176.6	-0.7	112.3	L230 Q231 R236 G237 T240	L230-R234 WeakPolarHBondContact O-CB 3.43Å; L230-R234 WeakPolarHBondContact O-CG 3.4Å; L230-R234 PolarHBondContact O-N 3.44Å; Q231-R234 PolarHBondContact O-N 3.46Å; R234-R236 PolarHBondContact O-N 2.77Å; R234-G237 PolarHBondContact O-N 3.22Å; R234-T240 HydrophobicContact CG-CG2 3.96Å
235	S	66.2	Low	70.5	Confident	88 Å²	88	69 Å²	69	62%	0.615	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	11.1	177.3	80.5	0	0	0	0	114.6	Q231 A232 A233	Q231-S235 WeakPolarHBondContact O-CB 3.36Å; Q231-S235 PolarHBondContact O-N 2.63Å; Q231-S235 PolarHBondContact O-OG 2.91Å; A232-S235 PolarHBondContact O-OG 3.03Å; A233-S235 VanDerWaalsContact C-N 3.31Å; A233-S235 PolarHBondContact O-N 2.99Å
236	R	63.8	Low	70.3	Confident	124 Å²	124	70.2 Å²	70.2	47%	0.468	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	13.4	178.4	-68.4	-177.4	171.4	80.2	1	112.8	A232 A233 R234 A238	A232-R236 PolarHBondContact O-NH1 2.93Å; A233-R236 PolarHBondContact O-N 2.93Å; A233-R236 VanDerWaalsContact O-N 3.09Å; R234-R236 PolarHBondContact O-N 2.77Å; R236-A238 PolarHBondContact O-N 2.87Å; R236-A238 VanDerWaalsContact O-N 3.14Å
237	G	57.7	Low	70	Confident	42 Å²	42	68.9 Å²	68.9	43%	0.433	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	4.1	179.4	0	0	0	0	0	115.5	R234	R234-G237 PolarHBondContact O-N 3.22Å
238	A	61.2	Low	69.7	Low	18 Å²	18	64.2 Å²	64.2	15%	0.149	39%	0.386	C	S	.	.			trans	-80.6	133.8	-173.4	0	0	0	0	0	112.7	A233 R236 T240 P350	A233-A238 PolarHBondContact O-N 3.13Å; R236-A238 PolarHBondContact O-N 2.87Å; R236-A238 VanDerWaalsContact O-N 3.14Å; A238-T240 PolarHBondContact O-N 3.09Å; A238-T240 VanDerWaalsContact O-N 3.09Å; A238-P350 HydrophobicContact CB-CB 4.14Å
239	G	64.1	Low	69.8	Low	62 Å²	62	68.5 Å²	68.5	64%	0.639	41%	0.408	S	S	*	.			trans	-63.1	106.8	178.9	0	0	0	0	0	113.1	A241	G239-A241 PolarHBondContact O-N 2.71Å; G239-A241 VanDerWaalsContact O-N 3.15Å
240	T	65.5	Low	70.2	Confident	41 Å²	41	67.8 Å²	67.8	25%	0.252	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.5	-172.3	54.1	0	0	0	0	115.4	L230 A233 R234 A238 S244	L230-T240 HydrophobicContact CD2-CG2 4.36Å; A233-T240 HydrophobicContact CB-CG2 3.98Å; R234-T240 HydrophobicContact CG-CG2 3.96Å; A238-T240 PolarHBondContact O-N 3.09Å; A238-T240 VanDerWaalsContact O-N 3.09Å; T240-S244 PolarHBondContact O-N 3.19Å; T240-S244 PolarHBondContact O-OG 2.88Å
241	A	68.3	Low	70.5	Confident	68 Å²	68	67.8 Å²	67.8	56%	0.562	41%	0.408	S	S	*	.	H	α-helix	trans	-64.2	-45.3	-176.9	0	0	0	0	0	112.9	G239 S244 A245	G239-A241 PolarHBondContact O-N 2.71Å; G239-A241 VanDerWaalsContact O-N 3.15Å; A241-S244 PolarHBondContact O-N 2.96Å; A241-S244 PolarHBondContact O-OG 3.25Å; A241-A245 WeakPolarHBondContact O-CB 3.38Å; A241-A245 PolarHBondContact O-N 2.7Å
242	W	67.5	Low	70.8	Confident	188 Å²	188	69.6 Å²	69.6	71%	0.712	41%	0.414	S	S	*	.	H	α-helix	trans	-66.5	-48.7	-176.2	-75.4	103.7	0	0	0	113.6	S244 A245 I246	W242-S244 VanDerWaalsContact C-N 3.31Å; W242-S244 PolarHBondContact O-N 3.23Å; W242-A245 PolarHBondContact O-N 2.71Å; W242-I246 WeakPolarHBondContact O-CG1 3.39Å; W242-I246 PolarHBondContact O-N 2.95Å
243	P	69.6	Low	71.6	Confident	22 Å²	22	72.4 Å²	72.4	14%	0.143	42%	0.424	C	S	.	.	H	α-helix	trans	-61	-37.2	176	-26	35.9	0	0	0	113.6	A247 M346 P350	P243-A247 WeakPolarHBondContact O-CB 3.27Å; P243-A247 PolarHBondContact O-N 2.94Å; P243-M346 HydrophobicContact CB-CB 4.33Å; P243-M346 HydrophobicContact CB-CE 4.41Å; P243-M346 HydrophobicContact CB-CG 4.39Å; P243-P350 HydrophobicContact CG-CG 3.7Å
244	S	72.4	Confident	72.5	Confident	65 Å²	65	71.6 Å²	71.6	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-71.9	-36.6	178.5	52.2	0	0	0	0	112.9	T240 A241 W242 A247 G248	T240-S244 PolarHBondContact O-N 3.19Å; T240-S244 PolarHBondContact O-OG 2.88Å; A241-S244 PolarHBondContact O-N 2.96Å; A241-S244 PolarHBondContact O-OG 3.25Å; W242-S244 VanDerWaalsContact C-N 3.31Å; W242-S244 PolarHBondContact O-N 3.23Å; S244-A247 PolarHBondContact O-N 2.92Å; S244-G248 PolarHBondContact O-N 2.7Å
245	A	77.1	Confident	73	Confident	58 Å²	58	65.2 Å²	65.2	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-64.7	-43.6	172.9	0	0	0	0	0	112.3	A241 W242 G248 L249	A241-A245 WeakPolarHBondContact O-CB 3.38Å; A241-A245 PolarHBondContact O-N 2.7Å; W242-A245 PolarHBondContact O-N 2.71Å; A245-G248 PolarHBondContact O-N 3.11Å; A245-L249 WeakPolarHBondContact O-CB 3.46Å; A245-L249 PolarHBondContact O-N 3.26Å
246	I	76.3	Confident	73.9	Confident	33 Å²	33	63.7 Å²	63.7	17%	0.169	39%	0.387	C	S	.	.	H	α-helix	trans	-60.6	-47.8	175.7	-67.6	164.8	0	0	0	110.4	W242 G248 L249 V250 L345 M346	W242-I246 WeakPolarHBondContact O-CG1 3.39Å; W242-I246 PolarHBondContact O-N 2.95Å; I246-G248 PolarHBondContact O-N 3.32Å; I246-L249 PolarHBondContact O-N 2.7Å; I246-V250 HydrophobicContact CG2-CG2 4.4Å; I246-V250 WeakPolarHBondContact O-CB 3.5Å; I246-V250 VanDerWaalsContact O-CG2 3.28Å; I246-V250 WeakPolarHBondContact O-CG2 3.43Å; I246-V250 PolarHBondContact O-N 3.27Å; I246-L345 HydrophobicContact CD1-CD2 4.24Å; I246-L345 HydrophobicContact CD1-CG 4.42Å; I246-M346 HydrophobicContact CB-CG 4.11Å; I246-M346 HydrophobicContact CG2-CG 3.79Å; I246-M346 HydrophobicContact CG2-SD 4.38Å
247	A	72.1	Confident	75	Confident	32 Å²	32	60.2 Å²	60.2	26%	0.264	38%	0.38	S	S	.	.	H	α-helix	trans	-58.1	-49.8	177.4	0	0	0	0	0	112.2	P243 S244 L249 V250 V251 M346	P243-A247 WeakPolarHBondContact O-CB 3.27Å; P243-A247 PolarHBondContact O-N 2.94Å; S244-A247 PolarHBondContact O-N 2.92Å; A247-L249 PolarHBondContact O-N 2.87Å; A247-V250 PolarHBondContact O-N 3.46Å; A247-V251 WeakPolarHBondContact O-CG2 3.35Å; A247-V251 PolarHBondContact O-N 3.28Å; A247-M346 HydrophobicContact CB-CE 3.86Å; A247-M346 HydrophobicContact CB-SD 3.92Å
248	G	76.2	Confident	76.2	Confident	44 Å²	44	58.4 Å²	58.4	45%	0.454	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-42.9	179.3	0	0	0	0	0	113.2	S244 A245 I246 F252	S244-G248 PolarHBondContact O-N 2.7Å; A245-G248 PolarHBondContact O-N 3.11Å; I246-G248 PolarHBondContact O-N 3.32Å; G248-F252 VanDerWaalsContact O-CB 3.31Å; G248-F252 WeakPolarHBondContact O-CB 3.36Å; G248-F252 PolarHBondContact O-N 2.89Å
249	L	82.5	Confident	77.1	Confident	104 Å²	104	66.7 Å²	66.7	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-44.9	177.3	179.8	61.5	0	0	0	112.1	A245 I246 A247 F252 L253	A245-L249 WeakPolarHBondContact O-CB 3.46Å; A245-L249 PolarHBondContact O-N 3.26Å; I246-L249 PolarHBondContact O-N 2.7Å; A247-L249 PolarHBondContact O-N 2.87Å; L249-F252 PolarHBondContact O-N 3.05Å; L249-L253 HydrophobicContact CD1-CD1 3.95Å; L249-L253 HydrophobicContact CD1-CG 4.2Å; L249-L253 HydrophobicContact CG-CD1 3.94Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 2.91Å
250	V	81.8	Confident	77.9	Confident	25 Å²	25	67.6 Å²	67.6	15%	0.152	39%	0.389	C	S	.	.	H	α-helix	trans	-67.5	-40.6	-179.5	171.1	0	0	0	0	111.4	I246 A247 T254 W339 S342	I246-V250 HydrophobicContact CG2-CG2 4.4Å; I246-V250 WeakPolarHBondContact O-CB 3.5Å; I246-V250 VanDerWaalsContact O-CG2 3.28Å; I246-V250 WeakPolarHBondContact O-CG2 3.43Å; I246-V250 PolarHBondContact O-N 3.27Å; A247-V250 PolarHBondContact O-N 3.46Å; V250-T254 VanDerWaalsContact O-CB 3.26Å; V250-T254 WeakPolarHBondContact O-CB 3.28Å; V250-T254 PolarHBondContact O-N 3.45Å; V250-T254 PolarHBondContact O-OG1 2.93Å; V250-W339 HydrophobicContact CG1-CG 4.43Å; V250-S342 WeakPolarHBondContact CG2-OG 3.38Å
251	V	79.4	Confident	78.8	Confident	69 Å²	69	72.2 Å²	72.2	42%	0.418	41%	0.406	S	S	.	.	H	α-helix	trans	-61.3	-48.1	172.9	175.3	0	0	0	0	110.5	A247 T254 A255 W339	A247-V251 WeakPolarHBondContact O-CG2 3.35Å; A247-V251 PolarHBondContact O-N 3.28Å; V251-T254 PolarHBondContact O-N 3Å; V251-A255 VanDerWaalsContact O-CB 3.29Å; V251-A255 WeakPolarHBondContact O-CB 3.48Å; V251-A255 PolarHBondContact O-N 3.5Å; V251-W339 HydrophobicContact CB-CH2 4.5Å; V251-W339 HydrophobicContact CB-CZ2 4.43Å; V251-W339 HydrophobicContact CG2-CH2 3.5Å; V251-W339 VanDerWaalsContact CG2-CH2 3.5Å; V251-W339 HydrophobicContact CG2-CZ2 3.82Å; V251-W339 HydrophobicContact CG2-CZ3 4.41Å
252	F	82.7	Confident	79.4	Confident	135 Å²	135	71 Å²	71	59%	0.592	39%	0.392	S	S	*	.	H	α-helix	trans	-62.7	-43.7	-179.4	179.6	-99.8	0	0	0	112.8	G248 L249 N256	G248-F252 VanDerWaalsContact O-CB 3.31Å; G248-F252 WeakPolarHBondContact O-CB 3.36Å; G248-F252 PolarHBondContact O-N 2.89Å; L249-F252 PolarHBondContact O-N 3.05Å; F252-N256 WeakPolarHBondContact CE1-ND2 3.37Å; F252-N256 VanDerWaalsContact CE2-ND2 3.34Å; F252-N256 WeakPolarHBondContact CE2-ND2 2.78Å; F252-N256 VanDerWaalsContact CZ-ND2 3.29Å; F252-N256 WeakPolarHBondContact CZ-ND2 3.33Å; F252-N256 WeakPolarHBondContact O-CB 3.28Å; F252-N256 PolarHBondContact O-N 3.43Å; F252-N256 VanDerWaalsContact O-N 3.12Å; F252-N256 PolarHBondContact O-ND2 3.39Å
253	L	84.9	Confident	79.9	Confident	96 Å²	96	63.2 Å²	63.2	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-48.6	175.5	-74	168.6	0	0	0	111.3	L249 A255 N256 V257	L249-L253 HydrophobicContact CD1-CD1 3.95Å; L249-L253 HydrophobicContact CD1-CG 4.2Å; L249-L253 HydrophobicContact CG-CD1 3.94Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 2.91Å; L253-A255 PolarHBondContact O-N 3.24Å; L253-N256 PolarHBondContact O-N 3.3Å; L253-V257 WeakPolarHBondContact O-CG2 3.22Å; L253-V257 PolarHBondContact O-N 3.18Å
254	T	84.8	Confident	80.5	Confident	8 Å²	8	68.6 Å²	68.6	5%	0.049	39%	0.388	C	S	.	.	H	α-helix	trans	-58	-47.7	179.3	-56.9	0	0	0	0	111.3	V250 V251 N256 V257 L258 L334 M335 W339	V250-T254 VanDerWaalsContact O-CB 3.26Å; V250-T254 WeakPolarHBondContact O-CB 3.28Å; V250-T254 PolarHBondContact O-N 3.45Å; V250-T254 PolarHBondContact O-OG1 2.93Å; V251-T254 PolarHBondContact O-N 3Å; T254-N256 PolarHBondContact O-N 3.42Å; T254-V257 PolarHBondContact O-N 3.08Å; T254-L258 HydrophobicContact CG2-CD1 3.92Å; T254-L258 HydrophobicContact CG2-CG 4.45Å; T254-L258 WeakPolarHBondContact O-CB 3.46Å; T254-L258 WeakPolarHBondContact O-CG 3.29Å; T254-L258 PolarHBondContact O-N 3.5Å; T254-L334 HydrophobicContact CG2-CB 4.19Å; T254-L334 HydrophobicContact CG2-CD1 4.28Å; T254-M335 HydrophobicContact CG2-CE 3.84Å; T254-W339 PolarHBondContact OG1-NE1 2.95Å
255	A	79.9	Confident	80.5	Confident	48 Å²	48	66.9 Å²	66.9	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-64.7	-39.7	-179.1	0	0	0	0	0	112.6	V251 L253 R259	V251-A255 VanDerWaalsContact O-CB 3.29Å; V251-A255 WeakPolarHBondContact O-CB 3.48Å; V251-A255 PolarHBondContact O-N 3.5Å; L253-A255 PolarHBondContact O-N 3.24Å; A255-R259 VanDerWaalsContact O-CB 3.23Å; A255-R259 WeakPolarHBondContact O-CB 3.19Å; A255-R259 PolarHBondContact O-N 3.01Å
256	N	84.2	Confident	80.1	Confident	55 Å²	55	64.6 Å²	64.6	29%	0.294	35%	0.354	S	S	.	.	H	α-helix	trans	-69	-41	176.8	-80	-64.2	0	0	0	112.4	F252 L253 T254 R259 A260	F252-N256 WeakPolarHBondContact CE1-ND2 3.37Å; F252-N256 VanDerWaalsContact CE2-ND2 3.34Å; F252-N256 WeakPolarHBondContact CE2-ND2 2.78Å; F252-N256 VanDerWaalsContact CZ-ND2 3.29Å; F252-N256 WeakPolarHBondContact CZ-ND2 3.33Å; F252-N256 WeakPolarHBondContact O-CB 3.28Å; F252-N256 PolarHBondContact O-N 3.43Å; F252-N256 VanDerWaalsContact O-N 3.12Å; F252-N256 PolarHBondContact O-ND2 3.39Å; L253-N256 PolarHBondContact O-N 3.3Å; T254-N256 PolarHBondContact O-N 3.42Å; N256-R259 PolarHBondContact OD1-NH2 3.46Å; N256-A260 WeakPolarHBondContact O-CB 3.47Å; N256-A260 PolarHBondContact O-N 3.15Å
257	V	87.4	Confident	80.1	Confident	52 Å²	52	67.3 Å²	67.3	32%	0.315	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-51.3	175.8	171.8	0	0	0	0	110.6	L253 T254 R259 A260 F261 L330 L334	L253-V257 WeakPolarHBondContact O-CG2 3.22Å; L253-V257 PolarHBondContact O-N 3.18Å; T254-V257 PolarHBondContact O-N 3.08Å; V257-R259 VanDerWaalsContact C-N 3.32Å; V257-R259 PolarHBondContact O-N 3.09Å; V257-A260 PolarHBondContact O-N 2.8Å; V257-A260 VanDerWaalsContact O-N 3.13Å; V257-F261 HydrophobicContact CG1-CD2 4.02Å; V257-F261 HydrophobicContact CG1-CE2 4.31Å; V257-F261 WeakPolarHBondContact O-CD2 3.28Å; V257-F261 PolarHBondContact O-N 2.91Å; V257-F261 VanDerWaalsContact O-N 3.12Å; V257-L330 HydrophobicContact CG1-CD1 4.4Å; V257-L330 HydrophobicContact CG1-CD2 4.28Å; V257-L334 HydrophobicContact CB-CD1 4.42Å; V257-L334 HydrophobicContact CG1-CD1 3.94Å
258	L	82.1	Confident	80.5	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.016	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-38.6	179.4	-71.1	177	0	0	0	112.4	T254 A260 F261 S262 Y327 L330 E331 L334 M335 M403	T254-L258 HydrophobicContact CG2-CD1 3.92Å; T254-L258 HydrophobicContact CG2-CG 4.45Å; T254-L258 WeakPolarHBondContact O-CB 3.46Å; T254-L258 WeakPolarHBondContact O-CG 3.29Å; T254-L258 PolarHBondContact O-N 3.5Å; L258-A260 PolarHBondContact O-N 3.3Å; L258-F261 PolarHBondContact O-N 2.97Å; L258-S262 WeakPolarHBondContact O-CB 3.41Å; L258-S262 PolarHBondContact O-N 2.71Å; L258-Y327 HydrophobicContact CD2-CE2 4.42Å; L258-L330 HydrophobicContact CD2-CD2 4.47Å; L258-L330 HydrophobicContact CD2-CG 4.29Å; L258-E331 HydrophobicContact CD2-CB 4.14Å; L258-L334 HydrophobicContact CD2-CD1 3.89Å; L258-L334 HydrophobicContact CG-CD1 3.94Å; L258-M335 HydrophobicContact CD1-CE 3.9Å; L258-M403 HydrophobicContact CD1-CE 4.05Å
259	R	80.3	Confident	80.3	Confident	193 Å²	193	67 Å²	67	73%	0.728	35%	0.351	S	S	*	.	H	α-helix	trans	-66.6	-34.3	175.1	-170.3	179.4	66.2	161.7	-1.9	112.9	A255 N256 V257	A255-R259 VanDerWaalsContact O-CB 3.23Å; A255-R259 WeakPolarHBondContact O-CB 3.19Å; A255-R259 PolarHBondContact O-N 3.01Å; N256-R259 PolarHBondContact OD1-NH2 3.46Å; V257-R259 VanDerWaalsContact C-N 3.32Å; V257-R259 PolarHBondContact O-N 3.09Å
260	A	81.8	Confident	79.8	Confident	80 Å²	80	64.6 Å²	64.6	66%	0.661	35%	0.346	S	S	*	.	H	α-helix	trans	-71.6	-30.9	178.4	0	0	0	0	0	113.1	N256 V257 L258	N256-A260 WeakPolarHBondContact O-CB 3.47Å; N256-A260 PolarHBondContact O-N 3.15Å; V257-A260 PolarHBondContact O-N 2.8Å; V257-A260 VanDerWaalsContact O-N 3.13Å; L258-A260 PolarHBondContact O-N 3.3Å
261	F	84.4	Confident	79.8	Confident	139 Å²	139	65.5 Å²	65.5	61%	0.61	35%	0.348	S	S	*	.	S	Bend	trans	-104.1	8.1	-180	-68.9	-74.3	0	0	0	114.3	V257 L258 P263 L330	V257-F261 HydrophobicContact CG1-CD2 4.02Å; V257-F261 HydrophobicContact CG1-CE2 4.31Å; V257-F261 WeakPolarHBondContact O-CD2 3.28Å; V257-F261 PolarHBondContact O-N 2.91Å; V257-F261 VanDerWaalsContact O-N 3.12Å; L258-F261 PolarHBondContact O-N 2.97Å; F261-P263 VanDerWaalsContact O-CD 3.27Å; F261-P263 WeakPolarHBondContact O-CD 3.39Å; F261-L330 HydrophobicContact CB-CD2 3.65Å; F261-L330 HydrophobicContact CD2-CD2 3.81Å; F261-L330 HydrophobicContact CG-CD2 3.87Å
262	S	79.8	Confident	80	Confident	41 Å²	41	64.8 Å²	64.8	29%	0.287	34%	0.341	S	S	.	.			trans	-76.2	115.3	179.1	-176.7	0	0	0	0	111.2	L258	L258-S262 WeakPolarHBondContact O-CB 3.41Å; L258-S262 PolarHBondContact O-N 2.71Å
263	P	79.2	Confident	79.7	Confident	25 Å²	25	60.2 Å²	60.2	16%	0.162	33%	0.328	C	S	.	.			trans	-72.7	167	172.7	33.5	-36.2	0	0	0	110.7	F261 F265	F261-P263 VanDerWaalsContact O-CD 3.27Å; F261-P263 WeakPolarHBondContact O-CD 3.39Å; P263-F265 HydrophobicContact CG-CD1 4.28Å; P263-F265 HydrophobicContact CG-CD2 4.06Å; P263-F265 HydrophobicContact CG-CE1 3.78Å; P263-F265 HydrophobicContact CG-CE2 3.55Å; P263-F265 HydrophobicContact CG-CG 4.41Å; P263-F265 HydrophobicContact CG-CZ 3.4Å; P263-F265 PolarHBondContact O-N 2.83Å
264	K	80.3	Confident	79.4	Confident	136 Å²	136	61.3 Å²	61.3	59%	0.591	33%	0.325	S	S	*	.			trans	-77.9	59.2	-176.4	-60.5	-164.2	-171.2	-178.7	0	113.7	G266 E267 L268	K264-G266 PolarHBondContact O-N 3.27Å; K264-E267 HydrophobicContact CB-CB 4.37Å; K264-E267 HydrophobicContact CD-CG 4.27Å; K264-E267 VanDerWaalsContact CD-OE1 3.31Å; K264-E267 WeakPolarHBondContact CD-OE1 3.46Å; K264-E267 WeakPolarHBondContact CD-OE2 3.35Å; K264-E267 WeakPolarHBondContact CE-OE2 3.48Å; K264-E267 IonicContact NZ-OE1 3Å; K264-E267 PolarHBondContact NZ-OE1 2.9Å; K264-E267 IonicContact NZ-OE2 3.31Å; K264-E267 PolarHBondContact NZ-OE2 3.44Å; K264-E267 PolarHBondContact O-N 3.32Å; K264-L268 PolarHBondContact O-N 3.08Å
265	F	72.9	Confident	79.5	Confident	28 Å²	28	63.5 Å²	63.5	12%	0.123	33%	0.332	C	S	.	.	H	α-helix	trans	-50	-35.9	-177.2	-69.3	-62.1	0	0	0	114.2	P263 L268 V269 R324 Y327	P263-F265 HydrophobicContact CG-CD1 4.28Å; P263-F265 HydrophobicContact CG-CD2 4.06Å; P263-F265 HydrophobicContact CG-CE1 3.78Å; P263-F265 HydrophobicContact CG-CE2 3.55Å; P263-F265 HydrophobicContact CG-CG 4.41Å; P263-F265 HydrophobicContact CG-CZ 3.4Å; P263-F265 PolarHBondContact O-N 2.83Å; F265-L268 PolarHBondContact O-N 3.04Å; F265-V269 WeakPolarHBondContact O-CB 3.3Å; F265-V269 VanDerWaalsContact O-CG2 3.31Å; F265-V269 WeakPolarHBondContact O-CG2 3.5Å; F265-V269 PolarHBondContact O-N 3.26Å; F265-R324 HydrophobicContact CE1-CB 4.18Å; F265-R324 HydrophobicContact CE1-CG 4.49Å; F265-Y327 AromaticContact CE2-CD1 3.83Å; F265-Y327 HydrophobicContact CE2-CD1 3.83Å; F265-Y327 HydrophobicContact CE2-CD2 4.37Å; F265-Y327 HydrophobicContact CE2-CE1 4.19Å; F265-Y327 AromaticContact CE2-CG 3.95Å; F265-Y327 HydrophobicContact CE2-CG 3.95Å; F265-Y327 AromaticContact CZ-CD1 3.95Å; F265-Y327 HydrophobicContact CZ-CD1 3.95Å; F265-Y327 AromaticContact CZ-CG 3.98Å; F265-Y327 HydrophobicContact CZ-CG 3.98Å
266	G	69.2	Low	79.8	Confident	11 Å²	11	65.8 Å²	65.8	11%	0.113	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-35.6	179.1	0	0	0	0	0	115.2	K264 A270	K264-G266 PolarHBondContact O-N 3.27Å; G266-A270 WeakPolarHBondContact O-CB 3.2Å; G266-A270 PolarHBondContact O-N 3.2Å
267	E	77.1	Confident	79.6	Confident	90 Å²	90	63.5 Å²	63.5	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-72.6	-41	174	-71	176.6	-158.7	0	0	110.3	K264 A270 E271	K264-E267 HydrophobicContact CB-CB 4.37Å; K264-E267 HydrophobicContact CD-CG 4.27Å; K264-E267 VanDerWaalsContact CD-OE1 3.31Å; K264-E267 WeakPolarHBondContact CD-OE1 3.46Å; K264-E267 WeakPolarHBondContact CD-OE2 3.35Å; K264-E267 WeakPolarHBondContact CE-OE2 3.48Å; K264-E267 IonicContact NZ-OE1 3Å; K264-E267 PolarHBondContact NZ-OE1 2.9Å; K264-E267 IonicContact NZ-OE2 3.31Å; K264-E267 PolarHBondContact NZ-OE2 3.44Å; K264-E267 PolarHBondContact O-N 3.32Å; E267-A270 PolarHBondContact O-N 3.06Å; E267-E271 PolarHBondContact O-N 3.49Å; E267-E271 VanDerWaalsContact O-N 3.15Å
268	L	80.4	Confident	79.5	Confident	34 Å²	34	64.4 Å²	64.4	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-43.2	-179.8	-61.5	179.9	0	0	0	113.4	K264 F265 E271 E272 Q316 L319 I320	K264-L268 PolarHBondContact O-N 3.08Å; F265-L268 PolarHBondContact O-N 3.04Å; L268-E271 PolarHBondContact O-N 3.5Å; L268-E272 PolarHBondContact O-N 2.92Å; L268-Q316 PolarHBondContact O-NE2 3.22Å; L268-L319 HydrophobicContact CD1-CD2 4.06Å; L268-L319 HydrophobicContact CD2-CD2 3.75Å; L268-I320 HydrophobicContact CB-CD1 4.18Å; L268-I320 HydrophobicContact CB-CG1 3.88Å; L268-I320 HydrophobicContact CD1-CG1 4.35Å
269	V	72.4	Confident	79.9	Confident	36 Å²	36	66 Å²	66	22%	0.218	33%	0.332	C	S	.	.	H	α-helix	trans	-72.8	-31.6	179.5	171.6	0	0	0	0	111.7	F265 E272 A273 E411	F265-V269 WeakPolarHBondContact O-CB 3.3Å; F265-V269 VanDerWaalsContact O-CG2 3.31Å; F265-V269 WeakPolarHBondContact O-CG2 3.5Å; F265-V269 PolarHBondContact O-N 3.26Å; V269-E272 PolarHBondContact O-N 2.94Å; V269-A273 WeakPolarHBondContact O-CB 3.21Å; V269-A273 PolarHBondContact O-N 2.73Å; V269-E411 HydrophobicContact CG1-CG 4.37Å
270	A	71.2	Confident	80.3	Confident	53 Å²	53	62 Å²	62	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-41.5	171.6	0	0	0	0	0	111.6	G266 E267 A273 R274	G266-A270 WeakPolarHBondContact O-CB 3.2Å; G266-A270 PolarHBondContact O-N 3.2Å; E267-A270 PolarHBondContact O-N 3.06Å; A270-A273 PolarHBondContact O-N 2.97Å; A270-R274 PolarHBondContact O-N 3.32Å
271	E	82	Confident	80.4	Confident	43 Å²	43	65 Å²	65	20%	0.201	31%	0.313	C	S	.	.	H	α-helix	trans	-69.5	-37.5	176.3	177.8	65.3	179.2	0	0	112.7	E267 L268 R274 R275 Q316	E267-E271 PolarHBondContact O-N 3.49Å; E267-E271 VanDerWaalsContact O-N 3.15Å; L268-E271 PolarHBondContact O-N 3.5Å; E271-R274 VanDerWaalsContact CD-NH2 3.27Å; E271-R274 PolarHBondContact O-N 2.69Å; E271-R274 IonicContact OE1-CZ 3.79Å; E271-R274 IonicContact OE1-NE 3.85Å; E271-R274 IonicContact OE1-NH2 3.71Å; E271-R274 PolarHBondContact OE1-NH2 3.28Å; E271-R274 IonicContact OE2-CZ 3.23Å; E271-R274 VanDerWaalsContact OE2-CZ 3.31Å; E271-R274 IonicContact OE2-NE 3.14Å; E271-R274 PolarHBondContact OE2-NE 2.95Å; E271-R274 IonicContact OE2-NH2 2.77Å; E271-R274 PolarHBondContact OE2-NH2 3.1Å; E271-R275 WeakPolarHBondContact O-CG 3.18Å; E271-R275 PolarHBondContact O-N 3Å; E271-R275 IonicContact OE1-CZ 2.79Å; E271-R275 VanDerWaalsContact OE1-CZ 3.23Å; E271-R275 IonicContact OE1-NE 2.76Å; E271-R275 PolarHBondContact OE1-NE 3.05Å; E271-R275 IonicContact OE1-NH2 3.73Å; E271-R275 PolarHBondContact OE1-NH2 3.41Å; E271-Q316 HydrophobicContact CG-CG 4.24Å
272	E	83.5	Confident	80.6	Confident	55 Å²	55	59.8 Å²	59.8	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-58.1	-48.5	170.3	-171.5	-161.9	143.9	0	0	111.1	L268 V269 R274 R275 K276 L313 Q316 I317 I320	L268-E272 PolarHBondContact O-N 2.92Å; V269-E272 PolarHBondContact O-N 2.94Å; E272-R274 VanDerWaalsContact C-N 3.32Å; E272-R274 PolarHBondContact O-N 2.63Å; E272-R275 PolarHBondContact O-N 3.18Å; E272-K276 VanDerWaalsContact O-CB 3.27Å; E272-K276 WeakPolarHBondContact O-CB 3.36Å; E272-K276 PolarHBondContact O-N 2.93Å; E272-L313 HydrophobicContact CG-CD1 4.28Å; E272-Q316 HydrophobicContact CB-CG 4.37Å; E272-I317 HydrophobicContact CG-CG1 4.09Å; E272-I320 HydrophobicContact CB-CD1 3.88Å; E272-I320 HydrophobicContact CG-CD1 4.29Å; E272-I320 WeakPolarHBondContact OE2-CD1 3.21Å
273	A	75.7	Confident	81.2	Confident	39 Å²	39	63.2 Å²	63.2	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-37.6	178.6	0	0	0	0	0	112.4	V269 A270 G277	V269-A273 WeakPolarHBondContact O-CB 3.21Å; V269-A273 PolarHBondContact O-N 2.73Å; A270-A273 PolarHBondContact O-N 2.97Å; A273-G277 PolarHBondContact O-N 2.95Å
274	R	79.2	Confident	81.7	Confident	119 Å²	119	65.6 Å²	65.6	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-55.6	175.3	-174.1	179.3	70.6	89	-4.9	111.5	A270 E271 E272 K276 G277 E278	A270-R274 PolarHBondContact O-N 3.32Å; E271-R274 VanDerWaalsContact CD-NH2 3.27Å; E271-R274 PolarHBondContact O-N 2.69Å; E271-R274 IonicContact OE1-CZ 3.79Å; E271-R274 IonicContact OE1-NE 3.85Å; E271-R274 IonicContact OE1-NH2 3.71Å; E271-R274 PolarHBondContact OE1-NH2 3.28Å; E271-R274 IonicContact OE2-CZ 3.23Å; E271-R274 VanDerWaalsContact OE2-CZ 3.31Å; E271-R274 IonicContact OE2-NE 3.14Å; E271-R274 PolarHBondContact OE2-NE 2.95Å; E271-R274 IonicContact OE2-NH2 2.77Å; E271-R274 PolarHBondContact OE2-NH2 3.1Å; E272-R274 VanDerWaalsContact C-N 3.32Å; E272-R274 PolarHBondContact O-N 2.63Å; R274-K276 VanDerWaalsContact C-N 3.27Å; R274-K276 PolarHBondContact O-N 2.98Å; R274-G277 WeakPolarHBondContact O-CA 3.38Å; R274-G277 PolarHBondContact O-N 3.1Å; R274-E278 WeakPolarHBondContact CG-OE1 3.27Å; R274-E278 IonicContact CZ-OE1 2.7Å; R274-E278 IonicContact CZ-OE2 3.72Å; R274-E278 VanDerWaalsContact NH1-CD 3.26Å; R274-E278 IonicContact NH1-OE1 3.29Å; R274-E278 PolarHBondContact NH1-OE1 2.96Å; R274-E278 IonicContact NH1-OE2 3.53Å; R274-E278 PolarHBondContact NH1-OE2 3.49Å; R274-E278 PolarHBondContact O-N 3.01Å
275	R	87.6	Confident	82.2	Confident	53 Å²	53	63 Å²	63	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-36.6	-179.9	-66.1	-179.1	-169.7	-150.1	-4.4	112.2	E271 E272 E278 L279 D312 L313	E271-R275 WeakPolarHBondContact O-CG 3.18Å; E271-R275 PolarHBondContact O-N 3Å; E271-R275 IonicContact OE1-CZ 2.79Å; E271-R275 VanDerWaalsContact OE1-CZ 3.23Å; E271-R275 IonicContact OE1-NE 2.76Å; E271-R275 PolarHBondContact OE1-NE 3.05Å; E271-R275 IonicContact OE1-NH2 3.73Å; E271-R275 PolarHBondContact OE1-NH2 3.41Å; E272-R275 PolarHBondContact O-N 3.18Å; R275-E278 PolarHBondContact O-N 2.81Å; R275-L279 WeakPolarHBondContact O-CB 3.39Å; R275-L279 PolarHBondContact O-N 3.14Å; R275-D312 VanDerWaalsContact CD-O 3.31Å; R275-D312 WeakPolarHBondContact CD-O 3.32Å; R275-D312 PolarHBondContact NH1-O 2.99Å; R275-L313 HydrophobicContact CB-CB 4.34Å; R275-L313 HydrophobicContact CB-CD1 4Å
276	K	84.6	Confident	83.2	Confident	96 Å²	96	63.3 Å²	63.3	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-36	174	-175.4	176	178.9	177.7	0	112.7	E272 R274 R280 L313	E272-K276 VanDerWaalsContact O-CB 3.27Å; E272-K276 WeakPolarHBondContact O-CB 3.36Å; E272-K276 PolarHBondContact O-N 2.93Å; R274-K276 VanDerWaalsContact C-N 3.27Å; R274-K276 PolarHBondContact O-N 2.98Å; K276-R280 WeakPolarHBondContact O-CD 3.42Å; K276-R280 WeakPolarHBondContact O-CG 3.29Å; K276-R280 PolarHBondContact O-N 3.24Å; K276-L313 HydrophobicContact CB-CD1 4.13Å; K276-L313 HydrophobicContact CB-CD2 4.31Å
277	G	81.4	Confident	84.2	Confident	8 Å²	8	67 Å²	67	8%	0.082	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-44.3	171.1	0	0	0	0	0	112.4	A273 R274 R280 Y281	A273-G277 PolarHBondContact O-N 2.95Å; R274-G277 WeakPolarHBondContact O-CA 3.38Å; R274-G277 PolarHBondContact O-N 3.1Å; G277-R280 PolarHBondContact O-N 3.38Å; G277-Y281 PolarHBondContact O-N 3.08Å
278	E	85.3	Confident	84.7	Confident	71 Å²	71	66.3 Å²	66.3	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-62.7	-44.9	178.9	-72.4	164.4	177.2	0	0	112	R274 R275 R280 Y281 M282	R274-E278 WeakPolarHBondContact CG-OE1 3.27Å; R274-E278 IonicContact CZ-OE1 2.7Å; R274-E278 IonicContact CZ-OE2 3.72Å; R274-E278 VanDerWaalsContact NH1-CD 3.26Å; R274-E278 IonicContact NH1-OE1 3.29Å; R274-E278 PolarHBondContact NH1-OE1 2.96Å; R274-E278 IonicContact NH1-OE2 3.53Å; R274-E278 PolarHBondContact NH1-OE2 3.49Å; R274-E278 PolarHBondContact O-N 3.01Å; R275-E278 PolarHBondContact O-N 2.81Å; E278-R280 VanDerWaalsContact C-N 3.33Å; E278-R280 PolarHBondContact O-N 3.14Å; E278-Y281 PolarHBondContact O-N 3.25Å; E278-M282 WeakPolarHBondContact O-CG 3.49Å; E278-M282 PolarHBondContact O-N 2.91Å
279	L	90	Very high	85.3	Confident	36 Å²	36	68 Å²	68	19%	0.188	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-40.9	174.1	178.3	63.8	0	0	0	112.7	R275 H283 L306 Y310 L313	R275-L279 WeakPolarHBondContact O-CB 3.39Å; R275-L279 PolarHBondContact O-N 3.14Å; L279-H283 PolarHBondContact O-N 2.82Å; L279-L306 HydrophobicContact CD1-CD2 4.3Å; L279-Y310 HydrophobicContact CD2-CD2 3.97Å; L279-L313 HydrophobicContact CD2-CD2 3.75Å
280	R	87.5	Confident	86.3	Confident	109 Å²	109	69.7 Å²	69.7	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-41.3	176.3	-77	165.7	158	-176.1	-15.9	112.4	E199 K276 G277 E278 H283 S284	E199-R280 IonicContact OE1-CZ 3.45Å; E199-R280 IonicContact OE1-NH1 3.34Å; E199-R280 PolarHBondContact OE1-NH1 3.21Å; E199-R280 IonicContact OE1-NH2 3.8Å; E199-R280 PolarHBondContact OE1-NH2 3.24Å; E199-R280 IonicContact OE2-CZ 2.72Å; E199-R280 IonicContact OE2-NH1 3.67Å; E199-R280 PolarHBondContact OE2-NH1 2.82Å; E199-R280 IonicContact OE2-NH2 2.8Å; K276-R280 WeakPolarHBondContact O-CD 3.42Å; K276-R280 WeakPolarHBondContact O-CG 3.29Å; K276-R280 PolarHBondContact O-N 3.24Å; G277-R280 PolarHBondContact O-N 3.38Å; E278-R280 VanDerWaalsContact C-N 3.33Å; E278-R280 PolarHBondContact O-N 3.14Å; R280-H283 PolarHBondContact O-N 3.48Å; R280-S284 WeakPolarHBondContact O-CB 3.48Å; R280-S284 PolarHBondContact O-N 2.86Å
281	Y	85.8	Confident	87.2	Confident	144 Å²	144	73.5 Å²	73.5	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-60.9	-45.6	175.2	171.1	-96.9	0	0	0	111.2	G277 E278 H283 S284 R285	G277-Y281 PolarHBondContact O-N 3.08Å; E278-Y281 PolarHBondContact O-N 3.25Å; Y281-H283 PolarHBondContact O-N 2.84Å; Y281-S284 PolarHBondContact O-N 3.31Å; Y281-R285 PolarHBondContact O-N 3.41Å
282	M	88.3	Confident	87.8	Confident	28 Å²	28	75.8 Å²	75.8	14%	0.138	38%	0.381	C	S	.	.	H	α-helix	trans	-59.3	-44.7	174.9	-69.7	-65.2	-70.1	0	0	111.9	E278 S284 R285 V286 L305 L306	E278-M282 WeakPolarHBondContact O-CG 3.49Å; E278-M282 PolarHBondContact O-N 2.91Å; M282-S284 VanDerWaalsContact C-N 3.35Å; M282-S284 PolarHBondContact O-N 3.21Å; M282-R285 WeakPolarHBondContact O-CB 3.26Å; M282-R285 PolarHBondContact O-N 3.48Å; M282-V286 PolarHBondContact O-N 3.19Å; M282-L305 HydrophobicContact CE-CB 3.84Å; M282-L305 HydrophobicContact CE-CD1 4.25Å; M282-L306 HydrophobicContact CB-CD2 3.8Å
283	H	92.3	Very high	88.4	Confident	113 Å²	113	74.6 Å²	74.6	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-35.5	176.3	-164.8	-46.1	0	0	0	112.5	L279 R280 Y281 V286 V287 L306	L279-H283 PolarHBondContact O-N 2.82Å; R280-H283 PolarHBondContact O-N 3.48Å; Y281-H283 PolarHBondContact O-N 2.84Å; H283-V286 PolarHBondContact O-N 2.87Å; H283-V287 WeakPolarHBondContact O-CG2 3.26Å; H283-V287 PolarHBondContact O-N 3.41Å; H283-L306 HydrophobicContact CB-CD2 4.24Å
284	S	88.9	Confident	89.3	Confident	76 Å²	76	76.3 Å²	76.3	53%	0.531	39%	0.391	S	S	.	.	H	α-helix	trans	-66.5	-38.3	175.1	-175.4	0	0	0	0	111.7	R280 Y281 M282 V286 V287 A288	R280-S284 WeakPolarHBondContact O-CB 3.48Å; R280-S284 PolarHBondContact O-N 2.86Å; Y281-S284 PolarHBondContact O-N 3.31Å; M282-S284 VanDerWaalsContact C-N 3.35Å; M282-S284 PolarHBondContact O-N 3.21Å; S284-V286 PolarHBondContact O-N 2.99Å; S284-V287 PolarHBondContact O-N 3.39Å; S284-A288 VanDerWaalsContact O-CB 3.31Å; S284-A288 WeakPolarHBondContact O-CB 3.48Å; S284-A288 PolarHBondContact O-N 3.16Å
285	R	90.7	Very high	90.1	Very high	82 Å²	82	78.5 Å²	78.5	31%	0.309	40%	0.404	S	S	.	.	H	α-helix	trans	-58.5	-45.3	172.8	-173.6	-173.1	75.2	175.4	6.5	111.9	Y281 M282 V287 A288 N289 E302	Y281-R285 PolarHBondContact O-N 3.41Å; M282-R285 WeakPolarHBondContact O-CB 3.26Å; M282-R285 PolarHBondContact O-N 3.48Å; R285-V287 PolarHBondContact O-N 3.19Å; R285-A288 PolarHBondContact O-N 2.87Å; R285-N289 PolarHBondContact O-N 3.03Å; R285-N289 VanDerWaalsContact O-N 3.13Å; R285-N289 PolarHBondContact O-ND2 3.42Å; R285-E302 IonicContact CZ-OE1 3.02Å; R285-E302 IonicContact CZ-OE2 3.63Å; R285-E302 IonicContact NE-OE2 3.76Å; R285-E302 IonicContact NH2-OE1 3.73Å; R285-E302 PolarHBondContact NH2-OE1 3.48Å; R285-E302 IonicContact NH2-OE2 2.75Å; R285-E302 PolarHBondContact NH2-OE2 2.9Å
286	V	93.9	Very high	90.5	Very high	33 Å²	33	85.6 Å²	85.6	20%	0.2	43%	0.432	C	S	.	.	H	α-helix	trans	-62.4	-41.9	178.3	173.7	0	0	0	0	111.5	M282 H283 S284 S290 I293 E302 L306	M282-V286 PolarHBondContact O-N 3.19Å; H283-V286 PolarHBondContact O-N 2.87Å; S284-V286 PolarHBondContact O-N 2.99Å; V286-S290 VanDerWaalsContact O-CA 3.3Å; V286-S290 WeakPolarHBondContact O-CA 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.41Å; V286-S290 PolarHBondContact O-N 3.45Å; V286-I293 HydrophobicContact CB-CD1 4.36Å; V286-I293 HydrophobicContact CG1-CD1 4.26Å; V286-I293 HydrophobicContact CG2-CD1 4.37Å; V286-E302 HydrophobicContact CG2-CB 4.06Å; V286-E302 HydrophobicContact CG2-CG 4.19Å; V286-E302 WeakPolarHBondContact CG2-OE2 3.36Å; V286-L306 HydrophobicContact CG2-CD1 4.23Å
287	V	90.9	Very high	91.1	Very high	90 Å²	90	83 Å²	83	55%	0.545	43%	0.433	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175.6	173.8	0	0	0	0	111.3	H283 S284 R285 N289 S290	H283-V287 WeakPolarHBondContact O-CG2 3.26Å; H283-V287 PolarHBondContact O-N 3.41Å; S284-V287 PolarHBondContact O-N 3.39Å; R285-V287 PolarHBondContact O-N 3.19Å; V287-N289 VanDerWaalsContact C-N 3.32Å; V287-N289 PolarHBondContact O-N 3.33Å; V287-S290 WeakPolarHBondContact O-CB 3.4Å; V287-S290 PolarHBondContact O-OG 2.85Å
288	A	87.7	Confident	91.8	Very high	74 Å²	74	83.8 Å²	83.8	61%	0.612	44%	0.44	S	S	*	.	H	α-helix	trans	-72	-18.7	-174.3	0	0	0	0	0	115.2	S284 R285	S284-A288 VanDerWaalsContact O-CB 3.31Å; S284-A288 WeakPolarHBondContact O-CB 3.48Å; S284-A288 PolarHBondContact O-N 3.16Å; R285-A288 PolarHBondContact O-N 2.87Å
289	N	92.8	Very high	92.3	Very high	70 Å²	70	86.5 Å²	86.5	37%	0.374	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	31.1	179.3	-49.3	-101.3	0	0	0	110.5	R285 V287 E291 E292 I293	R285-N289 PolarHBondContact O-N 3.03Å; R285-N289 VanDerWaalsContact O-N 3.13Å; R285-N289 PolarHBondContact O-ND2 3.42Å; V287-N289 VanDerWaalsContact C-N 3.32Å; V287-N289 PolarHBondContact O-N 3.33Å; N289-E291 VanDerWaalsContact C-N 3.32Å; N289-E291 PolarHBondContact O-N 3.31Å; N289-E292 WeakPolarHBondContact CA-OE2 3.43Å; N289-E292 PolarHBondContact O-N 3.16Å; N289-I293 HydrophobicContact CB-CD1 4.32Å; N289-I293 WeakPolarHBondContact O-CB 3.47Å; N289-I293 WeakPolarHBondContact O-CD1 3.28Å; N289-I293 WeakPolarHBondContact O-CG1 3.18Å; N289-I293 PolarHBondContact O-N 3.41Å
290	S	93.4	Very high	92.6	Very high	72 Å²	72	91.8 Å²	91.8	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-67.6	-31.4	-169.8	42.3	0	0	0	0	113.1	V286 V287 A294	V286-S290 VanDerWaalsContact O-CA 3.3Å; V286-S290 WeakPolarHBondContact O-CA 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.41Å; V286-S290 PolarHBondContact O-N 3.45Å; V287-S290 WeakPolarHBondContact O-CB 3.4Å; V287-S290 PolarHBondContact O-OG 2.85Å; S290-A294 WeakPolarHBondContact O-CB 3.42Å; S290-A294 PolarHBondContact O-N 3.02Å
291	E	90.2	Very high	93	Very high	133 Å²	133	91 Å²	91	62%	0.621	48%	0.484	S	S	*	.	H	α-helix	trans	-68.4	-47.4	174.9	-178.6	172	-171.4	0	0	111	N289 A294 F295	N289-E291 VanDerWaalsContact C-N 3.32Å; N289-E291 PolarHBondContact O-N 3.31Å; E291-A294 PolarHBondContact O-N 3.34Å; E291-F295 HydrophobicContact CG-CD2 3.79Å; E291-F295 HydrophobicContact CG-CE2 3.53Å; E291-F295 VanDerWaalsContact O-CD2 3.26Å; E291-F295 WeakPolarHBondContact O-CD2 3.26Å; E291-F295 PolarHBondContact O-N 2.84Å
292	E	94.5	Very high	93.5	Very high	91 Å²	91	85.6 Å²	85.6	43%	0.425	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-44	176.8	-60.6	91.8	154	0	0	111.8	N289 A294 F295 Y296	N289-E292 WeakPolarHBondContact CA-OE2 3.43Å; N289-E292 PolarHBondContact O-N 3.16Å; E292-A294 VanDerWaalsContact C-N 3.27Å; E292-A294 PolarHBondContact O-N 3.49Å; E292-F295 PolarHBondContact O-N 3.25Å; E292-Y296 HydrophobicContact CB-CD2 4.45Å; E292-Y296 HydrophobicContact CB-CE2 4.27Å; E292-Y296 WeakPolarHBondContact O-CD2 3.37Å; E292-Y296 PolarHBondContact O-N 2.9Å
293	I	95	Very high	93.9	Very high	30 Å²	30	88.8 Å²	88.8	15%	0.154	48%	0.481	C	S	.	.	H	α-helix	trans	-60.9	-37.9	176.4	-68.3	160.5	0	0	0	110.9	V286 N289 G297 G298 E302	V286-I293 HydrophobicContact CB-CD1 4.36Å; V286-I293 HydrophobicContact CG1-CD1 4.26Å; V286-I293 HydrophobicContact CG2-CD1 4.37Å; N289-I293 HydrophobicContact CB-CD1 4.32Å; N289-I293 WeakPolarHBondContact O-CB 3.47Å; N289-I293 WeakPolarHBondContact O-CD1 3.28Å; N289-I293 WeakPolarHBondContact O-CG1 3.18Å; N289-I293 PolarHBondContact O-N 3.41Å; I293-G297 CarbonylContact O-C 3.59Å; I293-G297 PolarHBondContact O-N 3.47Å; I293-G297 VanDerWaalsContact O-N 3.14Å; I293-G298 PolarHBondContact O-N 3.37Å; I293-E302 HydrophobicContact CD1-CG 4.06Å; I293-E302 HydrophobicContact CG1-CG 4.31Å; I293-E302 HydrophobicContact CG2-CG 4.14Å
294	A	95.4	Very high	94.1	Very high	75 Å²	75	86.1 Å²	86.1	62%	0.62	48%	0.478	S	S	*	.	H	α-helix	trans	-68.6	-45.2	175.4	0	0	0	0	0	112.2	S290 E291 E292 Y296 G297	S290-A294 WeakPolarHBondContact O-CB 3.42Å; S290-A294 PolarHBondContact O-N 3.02Å; E291-A294 PolarHBondContact O-N 3.34Å; E292-A294 VanDerWaalsContact C-N 3.27Å; E292-A294 PolarHBondContact O-N 3.49Å; A294-Y296 VanDerWaalsContact C-N 3.33Å; A294-Y296 PolarHBondContact O-N 3.37Å; A294-G297 PolarHBondContact O-N 3Å
295	F	96.1	Very high	94.5	Very high	165 Å²	165	85.9 Å²	85.9	72%	0.724	47%	0.47	S	S	*	.	H	α-helix	trans	-60.7	-38.5	176.9	-84.3	-59	0	0	0	113.2	E291 E292 G297	E291-F295 HydrophobicContact CG-CD2 3.79Å; E291-F295 HydrophobicContact CG-CE2 3.53Å; E291-F295 VanDerWaalsContact O-CD2 3.26Å; E291-F295 WeakPolarHBondContact O-CD2 3.26Å; E291-F295 PolarHBondContact O-N 2.84Å; E292-F295 PolarHBondContact O-N 3.25Å; F295-G297 VanDerWaalsContact C-N 3.31Å
296	Y	96.6	Very high	94.7	Very high	202 Å²	202	83.6 Å²	83.6	79%	0.792	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-3.9	175.4	-62.6	-55	0	0	0	113.9	E292 A294 G298	E292-Y296 HydrophobicContact CB-CD2 4.45Å; E292-Y296 HydrophobicContact CB-CE2 4.27Å; E292-Y296 WeakPolarHBondContact O-CD2 3.37Å; E292-Y296 PolarHBondContact O-N 2.9Å; A294-Y296 VanDerWaalsContact C-N 3.33Å; A294-Y296 PolarHBondContact O-N 3.37Å; Y296-G298 PolarHBondContact O-N 2.96Å
297	G	95.9	Very high	94.9	Very high	42 Å²	42	86.7 Å²	86.7	43%	0.433	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	17.1	-174.1	0	0	0	0	0	114.3	I293 A294 F295 H299	I293-G297 CarbonylContact O-C 3.59Å; I293-G297 PolarHBondContact O-N 3.47Å; I293-G297 VanDerWaalsContact O-N 3.14Å; A294-G297 PolarHBondContact O-N 3Å; F295-G297 VanDerWaalsContact C-N 3.31Å; G297-H299 PolarHBondContact O-N 3.04Å; G297-H299 PolarHBondContact O-ND1 3.37Å
298	G	96.4	Very high	95.1	Very high	24 Å²	24	88.1 Å²	88.1	25%	0.247	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	7.3	-168	0	0	0	0	0	116.5	I293 Y296 E300 V301 E302	I293-G298 PolarHBondContact O-N 3.37Å; Y296-G298 PolarHBondContact O-N 2.96Å; G298-E300 PolarHBondContact O-N 3.22Å; G298-V301 PolarHBondContact O-N 3.3Å; G298-V301 VanDerWaalsContact O-N 3.08Å; G298-E302 PolarHBondContact O-N 2.83Å; G298-E302 VanDerWaalsContact O-N 3.13Å
299	H	95.6	Very high	95.4	Very high	128 Å²	128	85.9 Å²	85.9	59%	0.593	46%	0.457	S	S	*	.	H	α-helix	trans	-55.2	-39.1	-172.6	69.3	-54.8	0	0	0	115	G297 L303	G297-H299 PolarHBondContact O-N 3.04Å; G297-H299 PolarHBondContact O-ND1 3.37Å; H299-L303 VanDerWaalsContact O-CB 3.25Å; H299-L303 WeakPolarHBondContact O-CB 3.37Å; H299-L303 PolarHBondContact O-N 3.13Å
300	E	96.9	Very high	95.6	Very high	146 Å²	146	89.5 Å²	89.5	68%	0.682	47%	0.466	S	S	*	.	H	α-helix	trans	-66.5	-37	177.1	-62.2	-167.5	150.6	0	0	112.6	G298 L303 A304	G298-E300 PolarHBondContact O-N 3.22Å; E300-L303 PolarHBondContact O-N 3.22Å; E300-A304 WeakPolarHBondContact O-CB 3.34Å; E300-A304 PolarHBondContact O-N 2.92Å
301	V	96.3	Very high	95.8	Very high	93 Å²	93	91.9 Å²	91.9	56%	0.564	47%	0.469	S	S	*	.	H	α-helix	trans	-70.8	-45.9	-179.9	-178.8	0	0	0	0	110.5	G298 L303 A304 L305	G298-V301 PolarHBondContact O-N 3.3Å; G298-V301 VanDerWaalsContact O-N 3.08Å; V301-L303 VanDerWaalsContact C-N 3.32Å; V301-L303 PolarHBondContact O-N 3.13Å; V301-A304 PolarHBondContact O-N 3.46Å; V301-L305 HydrophobicContact CG1-CD1 4.41Å; V301-L305 WeakPolarHBondContact O-CG 3.25Å; V301-L305 PolarHBondContact O-N 3.5Å
302	E	96.5	Very high	96.1	Very high	31 Å²	31	88.4 Å²	88.4	15%	0.145	46%	0.455	C	S	.	.	H	α-helix	trans	-64	-37.1	175.1	-69.5	-63.5	141.4	0	0	111.8	R285 V286 I293 G298 L305 L306	R285-E302 IonicContact CZ-OE1 3.02Å; R285-E302 IonicContact CZ-OE2 3.63Å; R285-E302 IonicContact NE-OE2 3.76Å; R285-E302 IonicContact NH2-OE1 3.73Å; R285-E302 PolarHBondContact NH2-OE1 3.48Å; R285-E302 IonicContact NH2-OE2 2.75Å; R285-E302 PolarHBondContact NH2-OE2 2.9Å; V286-E302 HydrophobicContact CG2-CB 4.06Å; V286-E302 HydrophobicContact CG2-CG 4.19Å; V286-E302 WeakPolarHBondContact CG2-OE2 3.36Å; I293-E302 HydrophobicContact CD1-CG 4.06Å; I293-E302 HydrophobicContact CG1-CG 4.31Å; I293-E302 HydrophobicContact CG2-CG 4.14Å; G298-E302 PolarHBondContact O-N 2.83Å; G298-E302 VanDerWaalsContact O-N 3.13Å; E302-L305 PolarHBondContact O-N 3.33Å; E302-L306 WeakPolarHBondContact O-CB 3.43Å; E302-L306 WeakPolarHBondContact O-CG 3.16Å; E302-L306 PolarHBondContact O-N 2.99Å
303	L	96.3	Very high	96.1	Very high	95 Å²	95	84.7 Å²	84.7	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-61.6	-45	172.5	178.8	61.2	0	0	0	111.8	H299 E300 V301 L306 Q307	H299-L303 VanDerWaalsContact O-CB 3.25Å; H299-L303 WeakPolarHBondContact O-CB 3.37Å; H299-L303 PolarHBondContact O-N 3.13Å; E300-L303 PolarHBondContact O-N 3.22Å; V301-L303 VanDerWaalsContact C-N 3.32Å; V301-L303 PolarHBondContact O-N 3.13Å; L303-L306 PolarHBondContact O-N 3.34Å; L303-Q307 HydrophobicContact CD1-CG 4.23Å; L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 VanDerWaalsContact O-CG 3.28Å; L303-Q307 WeakPolarHBondContact O-CG 3.3Å; L303-Q307 PolarHBondContact O-N 3.5Å
304	A	96.9	Very high	96.2	Very high	57 Å²	57	84.6 Å²	84.6	47%	0.471	44%	0.442	S	S	.	.	H	α-helix	trans	-62.6	-41.9	177.3	0	0	0	0	0	112.3	E300 V301 Q307 H308	E300-A304 WeakPolarHBondContact O-CB 3.34Å; E300-A304 PolarHBondContact O-N 2.92Å; V301-A304 PolarHBondContact O-N 3.46Å; A304-Q307 PolarHBondContact O-N 2.86Å; A304-H308 PolarHBondContact O-N 3.46Å
305	L	95.5	Very high	96.2	Very high	70 Å²	70	84 Å²	84	37%	0.366	43%	0.433	S	S	.	.	H	α-helix	trans	-64.7	-40.8	176.2	-69.3	174.3	0	0	0	112.5	M282 V301 E302 S309	M282-L305 HydrophobicContact CE-CB 3.84Å; M282-L305 HydrophobicContact CE-CD1 4.25Å; V301-L305 HydrophobicContact CG1-CD1 4.41Å; V301-L305 WeakPolarHBondContact O-CG 3.25Å; V301-L305 PolarHBondContact O-N 3.5Å; E302-L305 PolarHBondContact O-N 3.33Å; L305-S309 WeakPolarHBondContact O-CB 3.43Å; L305-S309 PolarHBondContact O-N 2.92Å; L305-S309 VanDerWaalsContact O-N 3.08Å; L305-S309 PolarHBondContact O-OG 2.94Å
306	L	96	Very high	96.1	Very high	35 Å²	35	76.9 Å²	76.9	18%	0.183	40%	0.402	C	S	.	.	H	α-helix	trans	-67	-40.2	174.4	-74.5	171.2	0	0	0	111.9	L279 M282 H283 V286 E302 L303 S309 Y310	L279-L306 HydrophobicContact CD1-CD2 4.3Å; M282-L306 HydrophobicContact CB-CD2 3.8Å; H283-L306 HydrophobicContact CB-CD2 4.24Å; V286-L306 HydrophobicContact CG2-CD1 4.23Å; E302-L306 WeakPolarHBondContact O-CB 3.43Å; E302-L306 WeakPolarHBondContact O-CG 3.16Å; E302-L306 PolarHBondContact O-N 2.99Å; L303-L306 PolarHBondContact O-N 3.34Å; L306-S309 PolarHBondContact O-N 3.4Å; L306-Y310 WeakPolarHBondContact O-CB 3.36Å; L306-Y310 PolarHBondContact O-N 2.97Å
307	Q	97.1	Very high	95.8	Very high	98 Å²	98	70.1 Å²	70.1	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-43.4	176	-76	-179.6	16	0	0	112	L303 A304 Y310 Q311	L303-Q307 HydrophobicContact CD1-CG 4.23Å; L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 VanDerWaalsContact O-CG 3.28Å; L303-Q307 WeakPolarHBondContact O-CG 3.3Å; L303-Q307 PolarHBondContact O-N 3.5Å; A304-Q307 PolarHBondContact O-N 2.86Å; Q307-Y310 PolarHBondContact O-N 3.44Å; Q307-Q311 VanDerWaalsContact O-CG 3.28Å; Q307-Q311 WeakPolarHBondContact O-CG 3.48Å; Q307-Q311 PolarHBondContact O-N 3.11Å
308	H	96.5	Very high	95.7	Very high	120 Å²	120	72.6 Å²	72.6	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-59.1	-52.2	174.2	-168.4	-55.2	0	0	0	110.8	A304 Y310 Q311 D312	A304-H308 PolarHBondContact O-N 3.46Å; H308-Y310 PolarHBondContact O-N 2.73Å; H308-Q311 PolarHBondContact O-N 3.37Å; H308-D312 IonicContact CE1-OD1 3.89Å; H308-D312 IonicContact CE1-OD2 3.18Å; H308-D312 PolarHBondContact CE1-OD2 3.46Å; H308-D312 IonicContact ND1-OD2 2.74Å; H308-D312 PolarHBondContact ND1-OD2 2.93Å; H308-D312 PolarHBondContact O-N 3.47Å
309	S	94.4	Very high	95.5	Very high	26 Å²	26	75.2 Å²	75.2	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-56.7	-35.5	178.6	-55.3	0	0	0	0	112.7	L305 L306 L313	L305-S309 WeakPolarHBondContact O-CB 3.43Å; L305-S309 PolarHBondContact O-N 2.92Å; L305-S309 VanDerWaalsContact O-N 3.08Å; L305-S309 PolarHBondContact O-OG 2.94Å; L306-S309 PolarHBondContact O-N 3.4Å; S309-L313 PolarHBondContact O-N 3.47Å
310	Y	97.1	Very high	95.1	Very high	146 Å²	146	70 Å²	70	57%	0.573	37%	0.366	S	S	*	.	H	α-helix	trans	-74.7	-37.3	175.2	-179.6	-101.5	0	0	0	113	L279 L306 Q307 H308 L313 A314	L279-Y310 HydrophobicContact CD2-CD2 3.97Å; L306-Y310 WeakPolarHBondContact O-CB 3.36Å; L306-Y310 PolarHBondContact O-N 2.97Å; Q307-Y310 PolarHBondContact O-N 3.44Å; H308-Y310 PolarHBondContact O-N 2.73Å; Y310-L313 PolarHBondContact O-N 3.42Å; Y310-A314 HydrophobicContact CE1-CB 4.5Å; Y310-A314 VanDerWaalsContact O-CB 3.32Å; Y310-A314 WeakPolarHBondContact O-CB 3.41Å; Y310-A314 PolarHBondContact O-N 2.97Å
311	Q	97.1	Very high	94.7	Very high	122 Å²	122	67.5 Å²	67.5	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-66.4	-36.2	175.1	-71.5	172.6	33.8	0	0	111.8	Q307 H308 A314 S315	Q307-Q311 VanDerWaalsContact O-CG 3.28Å; Q307-Q311 WeakPolarHBondContact O-CG 3.48Å; Q307-Q311 PolarHBondContact O-N 3.11Å; H308-Q311 PolarHBondContact O-N 3.37Å; Q311-A314 PolarHBondContact O-N 2.93Å; Q311-S315 WeakPolarHBondContact O-CB 3.45Å; Q311-S315 PolarHBondContact O-N 3.47Å; Q311-S315 PolarHBondContact O-OG 3.09Å
312	D	95.3	Very high	94.5	Very high	60 Å²	60	68.7 Å²	68.7	32%	0.321	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-39.7	171.7	-70.1	-46.4	0	0	0	112.3	R275 H308 S315 Q316	R275-D312 VanDerWaalsContact CD-O 3.31Å; R275-D312 WeakPolarHBondContact CD-O 3.32Å; R275-D312 PolarHBondContact NH1-O 2.99Å; H308-D312 IonicContact CE1-OD1 3.89Å; H308-D312 IonicContact CE1-OD2 3.18Å; H308-D312 PolarHBondContact CE1-OD2 3.46Å; H308-D312 IonicContact ND1-OD2 2.74Å; H308-D312 PolarHBondContact ND1-OD2 2.93Å; H308-D312 PolarHBondContact O-N 3.47Å; D312-S315 PolarHBondContact O-OG 2.91Å; D312-Q316 PolarHBondContact O-N 3.07Å
313	L	95.2	Very high	94.1	Very high	14 Å²	14	71.7 Å²	71.7	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-69.6	-45.3	174.6	179.3	59.6	0	0	0	111.6	E272 R275 K276 L279 S309 Y310 S315 Q316 I317	E272-L313 HydrophobicContact CG-CD1 4.28Å; R275-L313 HydrophobicContact CB-CB 4.34Å; R275-L313 HydrophobicContact CB-CD1 4Å; K276-L313 HydrophobicContact CB-CD1 4.13Å; K276-L313 HydrophobicContact CB-CD2 4.31Å; L279-L313 HydrophobicContact CD2-CD2 3.75Å; S309-L313 PolarHBondContact O-N 3.47Å; Y310-L313 PolarHBondContact O-N 3.42Å; L313-S315 PolarHBondContact O-N 3.02Å; L313-Q316 PolarHBondContact O-N 3.35Å; L313-I317 HydrophobicContact CD1-CD1 3.95Å; L313-I317 HydrophobicContact CD1-CG1 4.31Å; L313-I317 HydrophobicContact CG-CD1 3.88Å; L313-I317 WeakPolarHBondContact O-CG1 3.13Å; L313-I317 PolarHBondContact O-N 3.04Å
314	A	96.6	Very high	93.6	Very high	28 Å²	28	72.8 Å²	72.8	23%	0.231	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-38.2	-178.5	0	0	0	0	0	112.6	Y310 Q311 I317 N318	Y310-A314 HydrophobicContact CE1-CB 4.5Å; Y310-A314 VanDerWaalsContact O-CB 3.32Å; Y310-A314 WeakPolarHBondContact O-CB 3.41Å; Y310-A314 PolarHBondContact O-N 2.97Å; Q311-A314 PolarHBondContact O-N 2.93Å; A314-I317 PolarHBondContact O-N 3.25Å; A314-N318 WeakPolarHBondContact O-CB 3.04Å; A314-N318 VanDerWaalsContact O-CG 3.32Å; A314-N318 PolarHBondContact O-N 3.22Å; A314-N318 PolarHBondContact O-ND2 3.46Å
315	S	95.7	Very high	93.2	Very high	62 Å²	62	75.4 Å²	75.4	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-65.2	-41.9	174.4	54.9	0	0	0	0	112.1	Q311 D312 L313 N318 L319	Q311-S315 WeakPolarHBondContact O-CB 3.45Å; Q311-S315 PolarHBondContact O-N 3.47Å; Q311-S315 PolarHBondContact O-OG 3.09Å; D312-S315 PolarHBondContact O-OG 2.91Å; L313-S315 PolarHBondContact O-N 3.02Å; S315-N318 PolarHBondContact O-N 3.46Å; S315-L319 PolarHBondContact O-N 3.05Å
316	Q	93.3	Very high	92.8	Very high	15 Å²	15	80.9 Å²	80.9	7%	0.07	39%	0.393	C	S	.	.	H	α-helix	trans	-62.7	-44	174.1	-178.4	63.6	8.7	0	0	112.1	L268 E271 E272 D312 L313 L319 I320	L268-Q316 PolarHBondContact O-NE2 3.22Å; E271-Q316 HydrophobicContact CG-CG 4.24Å; E272-Q316 HydrophobicContact CB-CG 4.37Å; D312-Q316 PolarHBondContact O-N 3.07Å; L313-Q316 PolarHBondContact O-N 3.35Å; Q316-L319 PolarHBondContact O-N 2.97Å; Q316-I320 HydrophobicContact CG-CD1 4.2Å; Q316-I320 WeakPolarHBondContact O-CG1 3.49Å; Q316-I320 PolarHBondContact O-N 3.07Å
317	I	91	Very high	92.3	Very high	61 Å²	61	80.2 Å²	80.2	31%	0.313	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-43.4	176.1	-69.5	167.8	0	0	0	110.8	E272 L313 A314 L319 I320 L321	E272-I317 HydrophobicContact CG-CG1 4.09Å; L313-I317 HydrophobicContact CD1-CD1 3.95Å; L313-I317 HydrophobicContact CD1-CG1 4.31Å; L313-I317 HydrophobicContact CG-CD1 3.88Å; L313-I317 WeakPolarHBondContact O-CG1 3.13Å; L313-I317 PolarHBondContact O-N 3.04Å; A314-I317 PolarHBondContact O-N 3.25Å; I317-L319 PolarHBondContact O-N 3.01Å; I317-I320 PolarHBondContact O-N 3.37Å; I317-L321 HydrophobicContact CG2-CD1 4.03Å; I317-L321 HydrophobicContact CG2-CG 4.41Å; I317-L321 WeakPolarHBondContact O-CG 3.47Å; I317-L321 PolarHBondContact O-N 2.94Å
318	N	94.4	Very high	91.7	Very high	94 Å²	94	77.9 Å²	77.9	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-39	177.1	-78	-40	0	0	0	112.7	A314 S315 L321 L322	A314-N318 WeakPolarHBondContact O-CB 3.04Å; A314-N318 VanDerWaalsContact O-CG 3.32Å; A314-N318 PolarHBondContact O-N 3.22Å; A314-N318 PolarHBondContact O-ND2 3.46Å; S315-N318 PolarHBondContact O-N 3.46Å; N318-L321 PolarHBondContact O-N 3.44Å; N318-L322 WeakPolarHBondContact O-CG 2.97Å; N318-L322 PolarHBondContact O-N 2.94Å
319	L	92	Very high	91.4	Very high	78 Å²	78	77.4 Å²	77.4	41%	0.408	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-47.2	173	-175.1	157.8	0	0	0	111	L268 S315 Q316 I317 L321 L322 E323	L268-L319 HydrophobicContact CD1-CD2 4.06Å; L268-L319 HydrophobicContact CD2-CD2 3.75Å; S315-L319 PolarHBondContact O-N 3.05Å; Q316-L319 PolarHBondContact O-N 2.97Å; I317-L319 PolarHBondContact O-N 3.01Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.39Å; L319-L322 PolarHBondContact O-N 3.32Å; L319-E323 HydrophobicContact CD2-CG 4.14Å; L319-E323 PolarHBondContact O-N 3.02Å
320	I	87.6	Confident	91	Very high	18 Å²	18	78.1 Å²	78.1	9%	0.092	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-40.9	176.9	-69.7	166.1	0	0	0	111.5	L268 E272 Q316 I317 R324	L268-I320 HydrophobicContact CB-CD1 4.18Å; L268-I320 HydrophobicContact CB-CG1 3.88Å; L268-I320 HydrophobicContact CD1-CG1 4.35Å; E272-I320 HydrophobicContact CB-CD1 3.88Å; E272-I320 HydrophobicContact CG-CD1 4.29Å; E272-I320 WeakPolarHBondContact OE2-CD1 3.21Å; Q316-I320 HydrophobicContact CG-CD1 4.2Å; Q316-I320 WeakPolarHBondContact O-CG1 3.49Å; Q316-I320 PolarHBondContact O-N 3.07Å; I317-I320 PolarHBondContact O-N 3.37Å; I320-R324 WeakPolarHBondContact O-CB 3.4Å; I320-R324 PolarHBondContact O-N 3.04Å
321	L	88.3	Confident	90.4	Very high	95 Å²	95	71.9 Å²	71.9	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-40.4	177.7	-70.7	170.9	0	0	0	112.5	I317 N318 L319 L325	I317-L321 HydrophobicContact CG2-CD1 4.03Å; I317-L321 HydrophobicContact CG2-CG 4.41Å; I317-L321 WeakPolarHBondContact O-CG 3.47Å; I317-L321 PolarHBondContact O-N 2.94Å; N318-L321 PolarHBondContact O-N 3.44Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.39Å; L321-L325 PolarHBondContact O-N 3.44Å; L321-L325 VanDerWaalsContact O-N 3.1Å
322	L	91.3	Very high	89.8	Confident	118 Å²	118	68.9 Å²	68.9	62%	0.618	34%	0.343	S	S	*	.	H	α-helix	trans	-68.5	-46.3	178.9	-72.3	169.4	0	0	0	112.6	N318 L319 R324 L325	N318-L322 WeakPolarHBondContact O-CG 2.97Å; N318-L322 PolarHBondContact O-N 2.94Å; L319-L322 PolarHBondContact O-N 3.32Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-L325 PolarHBondContact O-N 3.47Å
323	E	88	Confident	89.4	Confident	94 Å²	94	71.4 Å²	71.4	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-43.7	174.6	-73.8	-64.3	138	0	0	111.5	L319 L325 Y327	L319-E323 HydrophobicContact CD2-CG 4.14Å; L319-E323 PolarHBondContact O-N 3.02Å; E323-L325 VanDerWaalsContact C-N 3.31Å; E323-L325 PolarHBondContact O-N 3.41Å; E323-Y327 PolarHBondContact O-N 2.93Å
324	R	86.1	Confident	88.8	Confident	117 Å²	117	71.6 Å²	71.6	44%	0.442	35%	0.353	S	S	.	.	H	α-helix	trans	-65	-32.6	-179.6	-172.7	175.1	-177.2	-163.3	-1.8	112.9	F265 I320 L322 V328	F265-R324 HydrophobicContact CE1-CB 4.18Å; F265-R324 HydrophobicContact CE1-CG 4.49Å; I320-R324 WeakPolarHBondContact O-CB 3.4Å; I320-R324 PolarHBondContact O-N 3.04Å; L322-R324 VanDerWaalsContact C-N 3.35Å; R324-V328 HydrophobicContact CG-CG2 3.73Å; R324-V328 WeakPolarHBondContact O-CB 3.45Å; R324-V328 VanDerWaalsContact O-CG2 3.29Å; R324-V328 WeakPolarHBondContact O-CG2 3.43Å; R324-V328 PolarHBondContact O-N 3.47Å
325	L	87.7	Confident	87.9	Confident	113 Å²	113	70.5 Å²	70.5	59%	0.592	34%	0.343	S	S	*	.	H	α-helix	trans	-58.4	-50.6	-178.7	179.4	62.7	0	0	0	112.1	L321 L322 E323 M329	L321-L325 PolarHBondContact O-N 3.44Å; L321-L325 VanDerWaalsContact O-N 3.1Å; L322-L325 PolarHBondContact O-N 3.47Å; E323-L325 VanDerWaalsContact C-N 3.31Å; E323-L325 PolarHBondContact O-N 3.41Å; L325-M329 WeakPolarHBondContact O-CB 3.48Å; L325-M329 PolarHBondContact O-N 2.7Å; L325-M329 VanDerWaalsContact O-N 3.08Å
326	W	87.4	Confident	87.1	Confident	184 Å²	184	71.9 Å²	71.9	70%	0.697	34%	0.341	S	S	*	.	H	α-helix	trans	-68.8	-43.4	-179.5	-80.1	107.2	0	0	0	112.6	M329 L330	W326-M329 HydrophobicContact CE3-CE 3.82Å; W326-M329 HydrophobicContact CZ3-CE 3.68Å; W326-M329 HydrophobicContact CZ3-SD 4.34Å; W326-M329 PolarHBondContact O-N 3.04Å; W326-L330 PolarHBondContact O-N 2.64Å; W326-L330 VanDerWaalsContact O-N 3.09Å
327	Y	86.4	Confident	86.6	Confident	21 Å²	21	78.9 Å²	78.9	8%	0.082	37%	0.368	C	S	.	.	H	α-helix	trans	-61.2	-49.3	178.5	179.4	-90	0	0	0	111.8	L258 F265 E323 M329 L330 E331	L258-Y327 HydrophobicContact CD2-CE2 4.42Å; F265-Y327 AromaticContact CE2-CD1 3.83Å; F265-Y327 HydrophobicContact CE2-CD1 3.83Å; F265-Y327 HydrophobicContact CE2-CD2 4.37Å; F265-Y327 HydrophobicContact CE2-CE1 4.19Å; F265-Y327 AromaticContact CE2-CG 3.95Å; F265-Y327 HydrophobicContact CE2-CG 3.95Å; F265-Y327 AromaticContact CZ-CD1 3.95Å; F265-Y327 HydrophobicContact CZ-CD1 3.95Å; F265-Y327 AromaticContact CZ-CG 3.98Å; F265-Y327 HydrophobicContact CZ-CG 3.98Å; E323-Y327 PolarHBondContact O-N 2.93Å; Y327-M329 VanDerWaalsContact C-N 3.32Å; Y327-M329 PolarHBondContact O-N 2.83Å; Y327-L330 PolarHBondContact O-N 3.26Å; Y327-E331 HydrophobicContact CE1-CB 4.39Å; Y327-E331 WeakPolarHBondContact O-CB 3.39Å; Y327-E331 PolarHBondContact O-N 3.33Å
328	V	85.1	Confident	86.2	Confident	50 Å²	50	78.3 Å²	78.3	30%	0.303	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-36.4	179.8	172.7	0	0	0	0	111.1	R324 L330 E331 Q332	R324-V328 HydrophobicContact CG-CG2 3.73Å; R324-V328 WeakPolarHBondContact O-CB 3.45Å; R324-V328 VanDerWaalsContact O-CG2 3.29Å; R324-V328 WeakPolarHBondContact O-CG2 3.43Å; R324-V328 PolarHBondContact O-N 3.47Å; V328-L330 PolarHBondContact O-N 3.08Å; V328-E331 PolarHBondContact O-N 3.19Å; V328-Q332 HydrophobicContact CG1-CG 3.94Å; V328-Q332 VanDerWaalsContact O-CB 3.29Å; V328-Q332 WeakPolarHBondContact O-CB 3.28Å; V328-Q332 WeakPolarHBondContact O-CG 3.3Å; V328-Q332 PolarHBondContact O-N 3.31Å
329	M	88.8	Confident	85.4	Confident	109 Å²	109	75.6 Å²	75.6	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-42.5	175	-167.8	-159.1	72.8	0	0	112	L325 W326 Y327 F333	L325-M329 WeakPolarHBondContact O-CB 3.48Å; L325-M329 PolarHBondContact O-N 2.7Å; L325-M329 VanDerWaalsContact O-N 3.08Å; W326-M329 HydrophobicContact CE3-CE 3.82Å; W326-M329 HydrophobicContact CZ3-CE 3.68Å; W326-M329 HydrophobicContact CZ3-SD 4.34Å; W326-M329 PolarHBondContact O-N 3.04Å; Y327-M329 VanDerWaalsContact C-N 3.32Å; Y327-M329 PolarHBondContact O-N 2.83Å; M329-F333 WeakPolarHBondContact O-CB 3.42Å; M329-F333 PolarHBondContact O-N 2.86Å
330	L	87.5	Confident	84.6	Confident	41 Å²	41	75.3 Å²	75.3	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-65.6	-46.1	176.3	177.7	62.8	0	0	0	111.9	V257 L258 F261 W326 Y327 V328 F333 L334	V257-L330 HydrophobicContact CG1-CD1 4.4Å; V257-L330 HydrophobicContact CG1-CD2 4.28Å; L258-L330 HydrophobicContact CD2-CD2 4.47Å; L258-L330 HydrophobicContact CD2-CG 4.29Å; F261-L330 HydrophobicContact CB-CD2 3.65Å; F261-L330 HydrophobicContact CD2-CD2 3.81Å; F261-L330 HydrophobicContact CG-CD2 3.87Å; W326-L330 PolarHBondContact O-N 2.64Å; W326-L330 VanDerWaalsContact O-N 3.09Å; Y327-L330 PolarHBondContact O-N 3.26Å; V328-L330 PolarHBondContact O-N 3.08Å; L330-F333 PolarHBondContact O-N 2.89Å; L330-L334 HydrophobicContact CD1-CD1 4.08Å; L330-L334 HydrophobicContact CD1-CG 4.34Å; L330-L334 HydrophobicContact CG-CD1 4.18Å; L330-L334 WeakPolarHBondContact O-CG 3.29Å; L330-L334 PolarHBondContact O-N 3.33Å
331	E	83.6	Confident	84.3	Confident	15 Å²	15	77.4 Å²	77.4	7%	0.07	38%	0.375	C	S	.	.	H	α-helix	trans	-57.4	-51	176.4	179.7	174.5	-140.3	0	0	111.8	L258 Y327 V328 F333 L334 M335	L258-E331 HydrophobicContact CD2-CB 4.14Å; Y327-E331 HydrophobicContact CE1-CB 4.39Å; Y327-E331 WeakPolarHBondContact O-CB 3.39Å; Y327-E331 PolarHBondContact O-N 3.33Å; V328-E331 PolarHBondContact O-N 3.19Å; E331-F333 PolarHBondContact O-N 3.36Å; E331-L334 PolarHBondContact O-N 3.38Å; E331-M335 WeakPolarHBondContact O-CB 3.5Å; E331-M335 WeakPolarHBondContact O-CG 3.38Å; E331-M335 PolarHBondContact O-N 2.84Å
332	Q	83.9	Confident	83.8	Confident	59 Å²	59	73.8 Å²	73.8	28%	0.276	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-37.9	178.7	-67.3	-71	-68.1	0	0	112.2	V328 K336 E400	V328-Q332 HydrophobicContact CG1-CG 3.94Å; V328-Q332 VanDerWaalsContact O-CB 3.29Å; V328-Q332 WeakPolarHBondContact O-CB 3.28Å; V328-Q332 WeakPolarHBondContact O-CG 3.3Å; V328-Q332 PolarHBondContact O-N 3.31Å; Q332-K336 WeakPolarHBondContact O-CB 3.45Å; Q332-K336 PolarHBondContact O-N 3.44Å; Q332-E400 PolarHBondContact NE2-OE1 3.44Å
333	F	86.8	Confident	83	Confident	114 Å²	114	68.5 Å²	68.5	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-48.6	175.8	173.7	-104.5	0	0	0	111.9	M329 L330 E331 Y337 V338	M329-F333 WeakPolarHBondContact O-CB 3.42Å; M329-F333 PolarHBondContact O-N 2.86Å; L330-F333 PolarHBondContact O-N 2.89Å; E331-F333 PolarHBondContact O-N 3.36Å; F333-Y337 HydrophobicContact CD2-CD2 4.17Å; F333-Y337 WeakPolarHBondContact O-CB 3.35Å; F333-Y337 PolarHBondContact O-N 3.26Å; F333-Y337 VanDerWaalsContact O-N 3.16Å; F333-V338 HydrophobicContact CD1-CG2 4.4Å; F333-V338 HydrophobicContact CE1-CG2 3.88Å; F333-V338 HydrophobicContact CZ-CG2 4.21Å; F333-V338 PolarHBondContact O-N 3.49Å
334	L	84.4	Confident	82.3	Confident	18 Å²	18	68.6 Å²	68.6	9%	0.094	33%	0.334	C	S	.	.	I	π-helix	trans	-64.8	-51.5	179.7	-65.8	171.2	0	0	0	111	T254 V257 L258 L330 E331 V338 W339	T254-L334 HydrophobicContact CG2-CB 4.19Å; T254-L334 HydrophobicContact CG2-CD1 4.28Å; V257-L334 HydrophobicContact CB-CD1 4.42Å; V257-L334 HydrophobicContact CG1-CD1 3.94Å; L258-L334 HydrophobicContact CD2-CD1 3.89Å; L258-L334 HydrophobicContact CG-CD1 3.94Å; L330-L334 HydrophobicContact CD1-CD1 4.08Å; L330-L334 HydrophobicContact CD1-CG 4.34Å; L330-L334 HydrophobicContact CG-CD1 4.18Å; L330-L334 WeakPolarHBondContact O-CG 3.29Å; L330-L334 PolarHBondContact O-N 3.33Å; E331-L334 PolarHBondContact O-N 3.38Å; L334-V338 HydrophobicContact CD2-CG2 4.05Å; L334-V338 WeakPolarHBondContact O-CB 3.14Å; L334-V338 PolarHBondContact O-N 2.92Å; L334-W339 VanDerWaalsContact O-CD1 3.22Å; L334-W339 PolarHBondContact O-N 3.38Å; L334-W339 VanDerWaalsContact O-N 3.11Å
335	M	77.4	Confident	81.8	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.025	34%	0.336	C	S	.	.	I	π-helix	trans	-69.5	-34.2	-174.3	-65.7	-59.5	174.6	0	0	114.1	T254 L258 E331 W339 I399 E400 M403	T254-M335 HydrophobicContact CG2-CE 3.84Å; L258-M335 HydrophobicContact CD1-CE 3.9Å; E331-M335 WeakPolarHBondContact O-CB 3.5Å; E331-M335 WeakPolarHBondContact O-CG 3.38Å; E331-M335 PolarHBondContact O-N 2.84Å; M335-W339 WeakPolarHBondContact O-CB 3.17Å; M335-W339 HydrophobicContact SD-CD2 4.35Å; M335-W339 HydrophobicContact SD-CZ2 4.49Å; M335-I399 HydrophobicContact CE-CG2 4.48Å; M335-I399 HydrophobicContact SD-CG2 4.47Å; M335-E400 HydrophobicContact CB-CB 4.4Å; M335-E400 HydrophobicContact CB-CG 4.48Å; M335-E400 HydrophobicContact CG-CB 4.42Å; M335-M403 HydrophobicContact CE-CB 4.17Å; M335-M403 HydrophobicContact CE-CG 3.56Å
336	K	77.3	Confident	81.1	Confident	91 Å²	91	63.8 Å²	63.8	40%	0.396	32%	0.317	S	S	.	.	I	π-helix	trans	-94.6	-30.7	-175.5	-68.8	-178.3	168.1	140.7	0	114.3	Q332 S340 E400	Q332-K336 WeakPolarHBondContact O-CB 3.45Å; Q332-K336 PolarHBondContact O-N 3.44Å; K336-S340 WeakPolarHBondContact O-CB 3.44Å; K336-E400 WeakPolarHBondContact CE-OE2 3.44Å; K336-E400 IonicContact NZ-OE1 2.75Å; K336-E400 PolarHBondContact NZ-OE1 3.45Å; K336-E400 IonicContact NZ-OE2 3.25Å; K336-E400 PolarHBondContact NZ-OE2 3.01Å
337	Y	83	Confident	80.2	Confident	162 Å²	162	55.8 Å²	55.8	64%	0.635	29%	0.288	S	S	*	.	I	π-helix	trans	-107.7	-52.3	-176	-58.9	-85.1	0	0	0	112.7	F333 S340 A341	F333-Y337 HydrophobicContact CD2-CD2 4.17Å; F333-Y337 WeakPolarHBondContact O-CB 3.35Å; F333-Y337 PolarHBondContact O-N 3.26Å; F333-Y337 VanDerWaalsContact O-N 3.16Å; Y337-S340 PolarHBondContact O-N 3.27Å; Y337-A341 WeakPolarHBondContact O-CB 3.45Å; Y337-A341 PolarHBondContact O-N 2.87Å
338	V	83.3	Confident	79.5	Confident	48 Å²	48	56.1 Å²	56.1	29%	0.291	30%	0.295	S	S	.	.	I	π-helix	trans	-67	-42.7	-177.1	-178	0	0	0	0	111.2	F333 L334 S342	F333-V338 HydrophobicContact CD1-CG2 4.4Å; F333-V338 HydrophobicContact CE1-CG2 3.88Å; F333-V338 HydrophobicContact CZ-CG2 4.21Å; F333-V338 PolarHBondContact O-N 3.49Å; L334-V338 HydrophobicContact CD2-CG2 4.05Å; L334-V338 WeakPolarHBondContact O-CB 3.14Å; L334-V338 PolarHBondContact O-N 2.92Å; V338-S342 WeakPolarHBondContact O-CB 3.28Å; V338-S342 PolarHBondContact O-N 3.44Å; V338-S342 PolarHBondContact O-OG 3.26Å
339	W	77.3	Confident	78.7	Confident	37 Å²	37	55.9 Å²	55.9	14%	0.14	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-39.5	176.5	-80.7	56.1	0	0	0	113	V250 V251 T254 L334 M335 S342 G343 I399	V250-W339 HydrophobicContact CG1-CG 4.43Å; V251-W339 HydrophobicContact CB-CH2 4.5Å; V251-W339 HydrophobicContact CB-CZ2 4.43Å; V251-W339 HydrophobicContact CG2-CH2 3.5Å; V251-W339 VanDerWaalsContact CG2-CH2 3.5Å; V251-W339 HydrophobicContact CG2-CZ2 3.82Å; V251-W339 HydrophobicContact CG2-CZ3 4.41Å; T254-W339 PolarHBondContact OG1-NE1 2.95Å; L334-W339 VanDerWaalsContact O-CD1 3.22Å; L334-W339 PolarHBondContact O-N 3.38Å; L334-W339 VanDerWaalsContact O-N 3.11Å; M335-W339 WeakPolarHBondContact O-CB 3.17Å; M335-W339 HydrophobicContact SD-CD2 4.35Å; M335-W339 HydrophobicContact SD-CZ2 4.49Å; W339-S342 PolarHBondContact O-N 3.21Å; W339-G343 PolarHBondContact O-N 3.45Å; W339-I399 HydrophobicContact CH2-CB 4.26Å; W339-I399 HydrophobicContact CH2-CD1 3.77Å; W339-I399 HydrophobicContact CH2-CG2 3.63Å; W339-I399 HydrophobicContact CZ2-CG2 4.18Å; W339-I399 HydrophobicContact CZ3-CB 4.17Å; W339-I399 HydrophobicContact CZ3-CD1 3.51Å; W339-I399 HydrophobicContact CZ3-CG1 4.41Å; W339-I399 HydrophobicContact CZ3-CG2 4.04Å
340	S	76.6	Confident	77.5	Confident	73 Å²	73	51.8 Å²	51.8	51%	0.51	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-44.4	175.9	-175.8	0	0	0	0	111.9	K336 Y337 S342 G343 L344	K336-S340 WeakPolarHBondContact O-CB 3.44Å; Y337-S340 PolarHBondContact O-N 3.27Å; S340-S342 PolarHBondContact O-N 3.23Å; S340-G343 PolarHBondContact O-N 2.95Å; S340-L344 WeakPolarHBondContact O-CB 3.39Å; S340-L344 PolarHBondContact O-N 2.81Å
341	A	80.5	Confident	76.4	Confident	62 Å²	62	53.1 Å²	53.1	51%	0.512	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-40.6	173.6	0	0	0	0	0	112.3	Y337 L344 L345	Y337-A341 WeakPolarHBondContact O-CB 3.45Å; Y337-A341 PolarHBondContact O-N 2.87Å; A341-L344 PolarHBondContact O-N 3.39Å; A341-L345 PolarHBondContact O-N 3.17Å
342	S	77.9	Confident	75.6	Confident	19 Å²	19	59.1 Å²	59.1	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-41.9	177	-58.5	0	0	0	0	112.1	V250 V338 W339 S340 L345 M346	V250-S342 WeakPolarHBondContact CG2-OG 3.38Å; V338-S342 WeakPolarHBondContact O-CB 3.28Å; V338-S342 PolarHBondContact O-N 3.44Å; V338-S342 PolarHBondContact O-OG 3.26Å; W339-S342 PolarHBondContact O-N 3.21Å; S340-S342 PolarHBondContact O-N 3.23Å; S342-L345 WeakPolarHBondContact O-CB 3.24Å; S342-L345 PolarHBondContact O-N 2.95Å; S342-M346 VanDerWaalsContact O-CG 3.32Å; S342-M346 WeakPolarHBondContact O-CG 3.03Å; S342-M346 PolarHBondContact O-N 3.31Å
343	G	74	Confident	74.5	Confident	7 Å²	7	60.8 Å²	60.8	7%	0.072	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-41.7	173.8	0	0	0	0	0	112.3	W339 S340 L345 M346 V347 L392	W339-G343 PolarHBondContact O-N 3.45Å; S340-G343 PolarHBondContact O-N 2.95Å; G343-L345 VanDerWaalsContact C-N 3.31Å; G343-L345 PolarHBondContact O-N 3.43Å; G343-M346 WeakPolarHBondContact O-CB 3.46Å; G343-M346 PolarHBondContact O-N 3.02Å; G343-V347 WeakPolarHBondContact O-CG2 3.26Å; G343-V347 PolarHBondContact O-N 3.44Å; G343-V347 VanDerWaalsContact O-N 3.1Å; G343-L392 WeakPolarHBondContact O-CD1 3.11Å
344	L	74.3	Confident	73	Confident	95 Å²	95	57.3 Å²	57.3	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-41.7	173.5	-173.6	65.3	0	0	0	111.3	S340 A341 V347 A348 F385	S340-L344 WeakPolarHBondContact O-CB 3.39Å; S340-L344 PolarHBondContact O-N 2.81Å; A341-L344 PolarHBondContact O-N 3.39Å; L344-V347 PolarHBondContact O-N 3.37Å; L344-A348 WeakPolarHBondContact O-CB 3.48Å; L344-A348 PolarHBondContact O-N 3.1Å; L344-F385 HydrophobicContact CD1-CE2 3.77Å; L344-F385 HydrophobicContact CD1-CZ 3.84Å
345	L	74.9	Confident	71.5	Confident	90 Å²	90	62.3 Å²	62.3	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-42.7	174.4	-172.7	68.2	0	0	0	112.2	I246 A341 S342 G343 V347 A348 V349	I246-L345 HydrophobicContact CD1-CD2 4.24Å; I246-L345 HydrophobicContact CD1-CG 4.42Å; A341-L345 PolarHBondContact O-N 3.17Å; S342-L345 WeakPolarHBondContact O-CB 3.24Å; S342-L345 PolarHBondContact O-N 2.95Å; G343-L345 VanDerWaalsContact C-N 3.31Å; G343-L345 PolarHBondContact O-N 3.43Å; L345-V347 PolarHBondContact O-N 3.22Å; L345-A348 PolarHBondContact O-N 3.4Å; L345-V349 HydrophobicContact CD1-CG2 3.89Å; L345-V349 HydrophobicContact CG-CG2 4.2Å; L345-V349 WeakPolarHBondContact O-CB 3.35Å; L345-V349 WeakPolarHBondContact O-CG2 3.41Å; L345-V349 PolarHBondContact O-N 3.08Å
346	M	72.2	Confident	70.2	Confident	40 Å²	40	64.7 Å²	64.7	20%	0.197	38%	0.378	C	S	.	.	H	α-helix	trans	-61.5	-26.2	176.3	-73.3	169.5	59.2	0	0	113.8	P243 I246 A247 S342 G343 P350 L392	P243-M346 HydrophobicContact CB-CB 4.33Å; P243-M346 HydrophobicContact CB-CE 4.41Å; P243-M346 HydrophobicContact CB-CG 4.39Å; I246-M346 HydrophobicContact CB-CG 4.11Å; I246-M346 HydrophobicContact CG2-CG 3.79Å; I246-M346 HydrophobicContact CG2-SD 4.38Å; A247-M346 HydrophobicContact CB-CE 3.86Å; A247-M346 HydrophobicContact CB-SD 3.92Å; S342-M346 VanDerWaalsContact O-CG 3.32Å; S342-M346 WeakPolarHBondContact O-CG 3.03Å; S342-M346 PolarHBondContact O-N 3.31Å; G343-M346 WeakPolarHBondContact O-CB 3.46Å; G343-M346 PolarHBondContact O-N 3.02Å; M346-P350 WeakPolarHBondContact O-CD 3.29Å; M346-P350 WeakPolarHBondContact O-CG 3.46Å; M346-L392 HydrophobicContact CE-CD2 4.29Å
347	V	70	Confident	68.9	Low	15 Å²	15	64.6 Å²	64.6	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-91.7	-40.9	175.3	178.3	0	0	0	0	111.5	G343 L344 L345 I351 F385 A388 L392	G343-V347 WeakPolarHBondContact O-CG2 3.26Å; G343-V347 PolarHBondContact O-N 3.44Å; G343-V347 VanDerWaalsContact O-N 3.1Å; L344-V347 PolarHBondContact O-N 3.37Å; L345-V347 PolarHBondContact O-N 3.22Å; V347-I351 HydrophobicContact CG1-CD1 3.72Å; V347-I351 WeakPolarHBondContact O-CG1 3.41Å; V347-I351 PolarHBondContact O-N 3.13Å; V347-F385 HydrophobicContact CG1-CD2 3.75Å; V347-F385 HydrophobicContact CG1-CE2 4.31Å; V347-A388 HydrophobicContact CG1-CB 4.05Å; V347-A388 HydrophobicContact CG2-CB 3.61Å; V347-L392 HydrophobicContact CG2-CD1 3.4Å; V347-L392 VanDerWaalsContact CG2-CD1 3.4Å
348	A	70.8	Confident	67.1	Low	29 Å²	29	58.8 Å²	58.8	24%	0.24	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-44.5	-179.2	0	0	0	0	0	112	L344 L345 I351 I352	L344-A348 WeakPolarHBondContact O-CB 3.48Å; L344-A348 PolarHBondContact O-N 3.1Å; L345-A348 PolarHBondContact O-N 3.4Å; A348-I351 PolarHBondContact O-N 3.38Å; A348-I351 VanDerWaalsContact O-N 3.16Å; A348-I352 HydrophobicContact CB-CD1 4.2Å; A348-I352 WeakPolarHBondContact O-CB 3.47Å; A348-I352 WeakPolarHBondContact O-CD1 3.13Å; A348-I352 VanDerWaalsContact O-CG1 3.23Å; A348-I352 WeakPolarHBondContact O-CG1 3.42Å; A348-I352 PolarHBondContact O-N 2.85Å
349	V	68.1	Low	65.2	Low	44 Å²	44	66.1 Å²	66.1	27%	0.267	39%	0.389	S	S	.	.	H	α-helix	trans	-57.4	-55.3	-178.1	168	0	0	0	0	111.4	L345 I351 I352 T353	L345-V349 HydrophobicContact CD1-CG2 3.89Å; L345-V349 HydrophobicContact CG-CG2 4.2Å; L345-V349 WeakPolarHBondContact O-CB 3.35Å; L345-V349 WeakPolarHBondContact O-CG2 3.41Å; L345-V349 PolarHBondContact O-N 3.08Å; V349-I351 VanDerWaalsContact C-N 3.32Å; V349-I351 PolarHBondContact O-N 2.95Å; V349-I352 PolarHBondContact O-N 2.69Å; V349-T353 HydrophobicContact CG1-CG2 4.35Å; V349-T353 WeakPolarHBondContact O-CG2 3.46Å; V349-T353 PolarHBondContact O-N 2.84Å; V349-T353 PolarHBondContact O-OG1 3.08Å
350	P	64.3	Low	63.8	Low	24 Å²	24	69 Å²	69	16%	0.156	42%	0.415	C	S	.	.	H	α-helix	trans	-58.5	-34.8	174.7	-27.5	36.8	0	0	0	115.1	A238 P243 M346 I352 A354	A238-P350 HydrophobicContact CB-CB 4.14Å; P243-P350 HydrophobicContact CG-CG 3.7Å; M346-P350 WeakPolarHBondContact O-CD 3.29Å; M346-P350 WeakPolarHBondContact O-CG 3.46Å; P350-I352 VanDerWaalsContact C-N 3.35Å; P350-A354 WeakPolarHBondContact O-CB 3.36Å; P350-A354 PolarHBondContact O-N 3.07Å
351	I	64.4	Low	62.4	Low	69 Å²	69	68.2 Å²	68.2	35%	0.354	41%	0.405	S	S	.	.	H	α-helix	trans	-72.8	-30.5	178.9	-68	176	0	0	0	111.6	V347 A348 V349 F385	V347-I351 HydrophobicContact CG1-CD1 3.72Å; V347-I351 WeakPolarHBondContact O-CG1 3.41Å; V347-I351 PolarHBondContact O-N 3.13Å; A348-I351 PolarHBondContact O-N 3.38Å; A348-I351 VanDerWaalsContact O-N 3.16Å; V349-I351 VanDerWaalsContact C-N 3.32Å; V349-I351 PolarHBondContact O-N 2.95Å; I351-F385 HydrophobicContact CD1-CB 4.24Å; I351-F385 HydrophobicContact CD1-CD2 4.25Å
352	I	65.9	Low	61.1	Low	140 Å²	140	68.4 Å²	68.4	72%	0.718	41%	0.407	S	S	*	.	H	α-helix	trans	-82.8	-33.1	178.1	-66.7	165.3	0	0	0	111.5	A348 V349 P350	A348-I352 HydrophobicContact CB-CD1 4.2Å; A348-I352 WeakPolarHBondContact O-CB 3.47Å; A348-I352 WeakPolarHBondContact O-CD1 3.13Å; A348-I352 VanDerWaalsContact O-CG1 3.23Å; A348-I352 WeakPolarHBondContact O-CG1 3.42Å; A348-I352 PolarHBondContact O-N 2.85Å; V349-I352 PolarHBondContact O-N 2.69Å; P350-I352 VanDerWaalsContact C-N 3.35Å
353	T	61.1	Low	59.9	Low	94 Å²	94	75.1 Å²	75.1	58%	0.577	44%	0.436	S	S	*	.	H	α-helix	trans	-97.5	-12.9	-177.6	64	0	0	0	0	114.9	V349 T355	V349-T353 HydrophobicContact CG1-CG2 4.35Å; V349-T353 WeakPolarHBondContact O-CG2 3.46Å; V349-T353 PolarHBondContact O-N 2.84Å; V349-T353 PolarHBondContact O-OG1 3.08Å; T353-T355 PolarHBondContact O-N 2.91Å
354	A	56.4	Low	58.9	Low	41 Å²	41	78.5 Å²	78.5	34%	0.339	46%	0.463	S	S	.	.			trans	-71.3	110.2	176.1	0	0	0	0	0	111.5	P350 G356	P350-A354 WeakPolarHBondContact O-CB 3.36Å; P350-A354 PolarHBondContact O-N 3.07Å; A354-G356 PolarHBondContact O-N 2.94Å; A354-G356 VanDerWaalsContact O-N 3.14Å
355	T	51.4	Low	57.9	Low	123 Å²	123	78 Å²	78	76%	0.755	46%	0.464	S	S	*	.			trans	-69.9	0.3	174.4	49.3	0	0	0	0	114.3	T353 Y357	T353-T355 PolarHBondContact O-N 2.91Å; T355-Y357 WeakPolarHBondContact O-CD2 3.35Å; T355-Y357 WeakPolarHBondContact O-CE2 3.37Å
356	G	49.7	Very low	56.8	Low	56 Å²	56	77 Å²	77	58%	0.577	46%	0.456	S	S	*	.	S	Bend	trans	95.2	-2.1	170.4	0	0	0	0	0	116.3	A354	A354-G356 PolarHBondContact O-N 2.94Å; A354-G356 VanDerWaalsContact O-N 3.14Å
357	Y	51.6	Low	55.7	Low	89 Å²	89	82.3 Å²	82.3	35%	0.349	48%	0.478	S	S	.	.			trans	-137.6	152.3	-175.2	-50.6	-75.9	0	0	0	111.4	T355 K366 A369	T355-Y357 WeakPolarHBondContact O-CD2 3.35Å; T355-Y357 WeakPolarHBondContact O-CE2 3.37Å; Y357-K366 HydrophobicContact CD1-CB 4.49Å; Y357-K366 HydrophobicContact CD1-CG 3.82Å; Y357-K366 HydrophobicContact CE1-CB 4.2Å; Y357-K366 HydrophobicContact CE1-CG 4.03Å; Y357-A369 HydrophobicContact CE1-CB 4.05Å
358	S	45.2	Very low	54.9	Low	40 Å²	40	84.4 Å²	84.4	28%	0.28	50%	0.497	S	S	.	.			trans	-85.8	148.9	157.8	-174.2	0	0	0	0	109.6	S360 D361	S358-S360 VanDerWaalsContact CB-OG 3.3Å; S358-S360 WeakPolarHBondContact CB-OG 3.3Å; S358-S360 PolarHBondContact O-N 3.44Å; S358-S360 VanDerWaalsContact O-N 3.14Å; S358-S360 PolarHBondContact OG-OG 2.92Å; S358-D361 VanDerWaalsContact CB-OD2 3.29Å; S358-D361 WeakPolarHBondContact CB-OD2 3.31Å; S358-D361 PolarHBondContact N-OD2 3.35Å; S358-D361 PolarHBondContact O-N 2.9Å
359	E	43.3	Very low	54	Low	202 Å²	202	84.7 Å²	84.7	94%	0.944	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.3	174.4	-64.7	-175.6	137.8	0	0	112.1
360	S	46.3	Very low	53.1	Low	97 Å²	97	88.9 Å²	88.9	68%	0.678	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.1	176.9	56.4	0	0	0	0	116	S358	S358-S360 VanDerWaalsContact CB-OG 3.3Å; S358-S360 WeakPolarHBondContact CB-OG 3.3Å; S358-S360 PolarHBondContact O-N 3.44Å; S358-S360 VanDerWaalsContact O-N 3.14Å; S358-S360 PolarHBondContact OG-OG 2.92Å
361	D	48.6	Very low	52.5	Low	56 Å²	56	95.8 Å²	95.8	30%	0.299	55%	0.55	S	S	.	.			trans	-85.7	129.6	-161.9	-60.7	-21.6	0	0	0	113.3	S358 K366	S358-D361 VanDerWaalsContact CB-OD2 3.29Å; S358-D361 WeakPolarHBondContact CB-OD2 3.31Å; S358-D361 PolarHBondContact N-OD2 3.35Å; S358-D361 PolarHBondContact O-N 2.9Å; D361-K366 WeakPolarHBondContact O-CE 3.37Å; D361-K366 PolarHBondContact O-NZ 3.48Å
362	A	53.5	Low	52.1	Low	66 Å²	66	95.8 Å²	95.8	55%	0.545	55%	0.547	S	S	.	.			trans	-65	149	-179.6	0	0	0	0	0	112.9	A364 V365 K366	A362-A364 PolarHBondContact O-N 2.94Å; A362-A364 VanDerWaalsContact O-N 3.11Å; A362-V365 WeakPolarHBondContact O-CB 3.49Å; A362-V365 PolarHBondContact O-N 2.85Å; A362-K366 PolarHBondContact O-N 3.3Å
363	E	52.3	Low	51.7	Low	161 Å²	161	96.3 Å²	96.3	75%	0.752	54%	0.544	S	S	*	.	H	α-helix	trans	-58.3	-30.5	-172.1	-61	-166.2	131.1	0	0	114.7	V365 K366 K367	E363-V365 VanDerWaalsContact C-N 3.29Å; E363-V365 PolarHBondContact O-N 3.39Å; E363-K366 PolarHBondContact O-N 2.96Å; E363-K367 PolarHBondContact O-N 3.42Å
364	A	51.6	Low	51.8	Low	78 Å²	78	99.4 Å²	99.4	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-60.8	-37.6	174.8	0	0	0	0	0	112.4	A362 K367 A368	A362-A364 PolarHBondContact O-N 2.94Å; A362-A364 VanDerWaalsContact O-N 3.11Å; A364-K367 PolarHBondContact O-N 2.99Å; A364-A368 PolarHBondContact O-N 3.31Å
365	V	53.6	Low	52	Low	84 Å²	84	104 Å²	104	51%	0.509	57%	0.567	S	S	.	*	H	α-helix	trans	-69.8	-38.1	176.2	-174.8	0	0	0	0	110.3	A362 E363 A368 A369	A362-V365 WeakPolarHBondContact O-CB 3.49Å; A362-V365 PolarHBondContact O-N 2.85Å; E363-V365 VanDerWaalsContact C-N 3.29Å; E363-V365 PolarHBondContact O-N 3.39Å; V365-A368 PolarHBondContact O-N 2.88Å; V365-A369 WeakPolarHBondContact O-CB 3.41Å; V365-A369 PolarHBondContact O-N 2.87Å
366	K	52	Low	52.5	Low	70 Å²	70	101.1 Å²	101.1	30%	0.304	54%	0.544	S	S	.	.	H	α-helix	trans	-64.2	-39.2	176.9	-65.1	174.5	173.1	151.8	0	111.8	Y357 D361 A362 E363 L370	Y357-K366 HydrophobicContact CD1-CB 4.49Å; Y357-K366 HydrophobicContact CD1-CG 3.82Å; Y357-K366 HydrophobicContact CE1-CB 4.2Å; Y357-K366 HydrophobicContact CE1-CG 4.03Å; D361-K366 WeakPolarHBondContact O-CE 3.37Å; D361-K366 PolarHBondContact O-NZ 3.48Å; A362-K366 PolarHBondContact O-N 3.3Å; E363-K366 PolarHBondContact O-N 2.96Å; K366-L370 PolarHBondContact O-N 3.22Å
367	K	50.4	Low	53.3	Low	150 Å²	150	101.2 Å²	101.2	65%	0.652	53%	0.532	S	S	*	.	H	α-helix	trans	-66.8	-48.1	172.2	-76.7	-176.5	174.6	177.1	0	112.7	E363 A364 A369 L370 E371	E363-K367 PolarHBondContact O-N 3.42Å; A364-K367 PolarHBondContact O-N 2.99Å; K367-A369 PolarHBondContact O-N 2.89Å; K367-L370 WeakPolarHBondContact O-CB 3.45Å; K367-L370 PolarHBondContact O-N 2.98Å; K367-E371 PolarHBondContact O-N 3.13Å
368	A	52.7	Low	54.3	Low	59 Å²	59	100.1 Å²	100.1	49%	0.488	53%	0.534	S	S	.	.	H	α-helix	trans	-62.1	-27.6	178.2	0	0	0	0	0	113.4	A364 V365	A364-A368 PolarHBondContact O-N 3.31Å; V365-A368 PolarHBondContact O-N 2.88Å
369	A	50.7	Low	55.6	Low	36 Å²	36	98.2 Å²	98.2	30%	0.298	52%	0.521	S	S	.	.	H	α-helix	trans	-74.3	-30.9	173.6	0	0	0	0	0	113.5	Y357 V365 K367 E371 K372	Y357-A369 HydrophobicContact CE1-CB 4.05Å; V365-A369 WeakPolarHBondContact O-CB 3.41Å; V365-A369 PolarHBondContact O-N 2.87Å; K367-A369 PolarHBondContact O-N 2.89Å; A369-E371 VanDerWaalsContact C-N 3.32Å; A369-K372 PolarHBondContact O-N 2.94Å
370	L	51.1	Low	56.9	Low	132 Å²	132	91.2 Å²	91.2	69%	0.691	49%	0.488	S	S	*	.	H	α-helix	trans	-71.8	-24.6	174.9	-84.4	159.7	0	0	0	113.1	K366 K367	K366-L370 PolarHBondContact O-N 3.22Å; K367-L370 WeakPolarHBondContact O-CB 3.45Å; K367-L370 PolarHBondContact O-N 2.98Å
371	E	50.9	Low	58.1	Low	169 Å²	169	93.6 Å²	93.6	79%	0.79	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.4	177.3	-66.8	179.8	164.2	0	0	113.6	K367 A369 K373	K367-E371 PolarHBondContact O-N 3.13Å; A369-E371 VanDerWaalsContact C-N 3.32Å; E371-K373 PolarHBondContact O-N 3.17Å
372	K	56	Low	59.5	Low	69 Å²	69	92.9 Å²	92.9	30%	0.3	48%	0.48	S	S	.	.	S	Bend	trans	-67.3	122	173.9	-92.8	-171.7	160.4	-178.2	0	111	A369 E376 L377 E380	A369-K372 PolarHBondContact O-N 2.94Å; K372-E376 HydrophobicContact CD-CG 4.17Å; K372-E376 WeakPolarHBondContact CE-OE2 3.38Å; K372-E376 HydrophobicContact CG-CG 4.5Å; K372-L377 HydrophobicContact CB-CD2 4.06Å; K372-L377 HydrophobicContact CB-CG 4.14Å; K372-L377 HydrophobicContact CD-CD2 3.97Å; K372-E380 IonicContact NZ-OE1 2.95Å; K372-E380 PolarHBondContact NZ-OE1 2.89Å; K372-E380 IonicContact NZ-OE2 2.68Å; K372-E380 PolarHBondContact NZ-OE2 3.49Å
373	K	58.4	Low	60.6	Low	151 Å²	151	91.1 Å²	91.1	66%	0.657	46%	0.46	S	S	*	.			trans	-52.4	142.4	170.7	-76.3	-172.8	172.3	-172.1	0	111.4	E371 E375 E376 L377	E371-K373 PolarHBondContact O-N 3.17Å; K373-E375 PolarHBondContact O-N 2.75Å; K373-E376 WeakPolarHBondContact O-CB 3.35Å; K373-E376 PolarHBondContact O-N 2.99Å; K373-L377 PolarHBondContact O-N 3.49Å
374	E	61.4	Low	61.4	Low	159 Å²	159	84.2 Å²	84.2	74%	0.743	43%	0.431	S	S	*	.	H	α-helix	trans	-53.7	-38.6	177.8	-169.9	173.1	-167	0	0	112.6	E376 L377 V378	E374-E376 VanDerWaalsContact C-N 3.26Å; E374-E376 PolarHBondContact O-N 3.29Å; E374-L377 PolarHBondContact O-N 3Å; E374-V378 HydrophobicContact CG-CG2 4.49Å; E374-V378 WeakPolarHBondContact O-CG2 3.3Å; E374-V378 PolarHBondContact O-N 3.02Å
375	E	60.4	Low	62.6	Low	138 Å²	138	84 Å²	84	65%	0.645	42%	0.415	S	S	*	.	H	α-helix	trans	-55.5	-37.1	173.8	-58.9	-179.6	118.6	0	0	113.3	K373 S379	K373-E375 PolarHBondContact O-N 2.75Å; E375-S379 WeakPolarHBondContact O-CB 3.37Å; E375-S379 PolarHBondContact O-N 2.81Å
376	E	63.5	Low	63.8	Low	61 Å²	61	80.7 Å²	80.7	29%	0.285	40%	0.395	S	S	.	.	H	α-helix	trans	-76.3	-39.2	179.4	177.5	147	-104.9	0	0	111.7	R124 K372 K373 E374 S379 E380	R124-E376 IonicContact CZ-OE1 3.34Å; R124-E376 IonicContact NH1-OE1 3.16Å; R124-E376 PolarHBondContact NH1-OE1 2.77Å; R124-E376 VanDerWaalsContact NH1-OE1 3.16Å; R124-E376 IonicContact NH2-OE1 2.66Å; R124-E376 PolarHBondContact NH2-OE1 3.41Å; K372-E376 HydrophobicContact CD-CG 4.17Å; K372-E376 WeakPolarHBondContact CE-OE2 3.38Å; K372-E376 HydrophobicContact CG-CG 4.5Å; K373-E376 WeakPolarHBondContact O-CB 3.35Å; K373-E376 PolarHBondContact O-N 2.99Å; E374-E376 VanDerWaalsContact C-N 3.26Å; E374-E376 PolarHBondContact O-N 3.29Å; E376-S379 WeakPolarHBondContact O-CB 3.46Å; E376-S379 PolarHBondContact O-N 3.25Å; E376-E380 WeakPolarHBondContact O-CG 3.23Å; E376-E380 PolarHBondContact O-N 2.9Å
377	L	66.9	Low	65.1	Low	59 Å²	59	78.9 Å²	78.9	31%	0.309	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-41.2	174.6	-63.3	174.2	0	0	0	111.7	K372 K373 E374 R381	K372-L377 HydrophobicContact CB-CD2 4.06Å; K372-L377 HydrophobicContact CB-CG 4.14Å; K372-L377 HydrophobicContact CD-CD2 3.97Å; K373-L377 PolarHBondContact O-N 3.49Å; E374-L377 PolarHBondContact O-N 3Å; L377-R381 WeakPolarHBondContact O-CB 3.45Å; L377-R381 WeakPolarHBondContact O-CD 3.26Å; L377-R381 VanDerWaalsContact O-CG 3.22Å; L377-R381 WeakPolarHBondContact O-CG 3.4Å; L377-R381 PolarHBondContact O-N 3.4Å
378	V	70.7	Confident	66.2	Low	66 Å²	66	72.5 Å²	72.5	40%	0.4	36%	0.364	S	S	.	.	H	α-helix	trans	-61.7	-48.1	172.2	171.3	0	0	0	0	110.2	V123 E374 E380 R381 T382	V123-V378 HydrophobicContact CG1-CG1 4.42Å; E374-V378 HydrophobicContact CG-CG2 4.49Å; E374-V378 WeakPolarHBondContact O-CG2 3.3Å; E374-V378 PolarHBondContact O-N 3.02Å; V378-E380 VanDerWaalsContact C-N 3.34Å; V378-E380 PolarHBondContact O-N 3.3Å; V378-R381 PolarHBondContact O-N 2.88Å; V378-T382 PolarHBondContact O-N 3.23Å; V378-T382 PolarHBondContact O-OG1 3.04Å
379	S	72.7	Confident	67.4	Low	0 Å²	0	75.6 Å²	75.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-55.9	-43.5	178	-179.5	0	0	0	0	113.1	R120 R124 E375 E376 T382 E383	R120-S379 WeakPolarHBondContact CG-OG 3.43Å; R124-S379 WeakPolarHBondContact CG-OG 3.33Å; R124-S379 PolarHBondContact NE-OG 3.04Å; E375-S379 WeakPolarHBondContact O-CB 3.37Å; E375-S379 PolarHBondContact O-N 2.81Å; E376-S379 WeakPolarHBondContact O-CB 3.46Å; E376-S379 PolarHBondContact O-N 3.25Å; S379-T382 PolarHBondContact O-N 2.71Å; S379-E383 PolarHBondContact O-N 2.67Å; S379-E383 VanDerWaalsContact O-N 3.08Å
380	E	70.6	Confident	68.9	Low	55 Å²	55	75.6 Å²	75.6	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-73.7	-33.3	178.7	-73.6	178.9	164.5	0	0	113.3	R120 K372 E376 V378 A384	R120-E380 IonicContact CZ-OE1 3.71Å; R120-E380 IonicContact NH1-OE1 3.79Å; R120-E380 VanDerWaalsContact NH2-CG 3.33Å; R120-E380 IonicContact NH2-OE1 2.8Å; R120-E380 PolarHBondContact NH2-OE1 3.08Å; K372-E380 IonicContact NZ-OE1 2.95Å; K372-E380 PolarHBondContact NZ-OE1 2.89Å; K372-E380 IonicContact NZ-OE2 2.68Å; K372-E380 PolarHBondContact NZ-OE2 3.49Å; E376-E380 WeakPolarHBondContact O-CG 3.23Å; E376-E380 PolarHBondContact O-N 2.9Å; V378-E380 VanDerWaalsContact C-N 3.34Å; V378-E380 PolarHBondContact O-N 3.3Å; E380-A384 WeakPolarHBondContact O-CB 3.12Å; E380-A384 PolarHBondContact O-N 3.39Å
381	R	72.8	Confident	70.3	Confident	147 Å²	147	69.8 Å²	69.8	56%	0.555	33%	0.327	S	S	*	.	H	α-helix	trans	-66.1	-41.4	171.3	-73	168.6	178.9	178.2	-0.7	111.4	L377 V378 A384 F385	L377-R381 WeakPolarHBondContact O-CB 3.45Å; L377-R381 WeakPolarHBondContact O-CD 3.26Å; L377-R381 VanDerWaalsContact O-CG 3.22Å; L377-R381 WeakPolarHBondContact O-CG 3.4Å; L377-R381 PolarHBondContact O-N 3.4Å; V378-R381 PolarHBondContact O-N 2.88Å; R381-A384 PolarHBondContact O-N 2.92Å; R381-F385 VanDerWaalsContact O-CB 3.3Å; R381-F385 WeakPolarHBondContact O-CB 3.32Å; R381-F385 PolarHBondContact O-N 2.89Å
382	T	76.6	Confident	71.5	Confident	41 Å²	41	63.2 Å²	63.2	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-39.9	176.4	-50.3	0	0	0	0	112.5	V123 V378 S379 T386	V123-T382 HydrophobicContact CG2-CG2 3.9Å; V378-T382 PolarHBondContact O-N 3.23Å; V378-T382 PolarHBondContact O-OG1 3.04Å; S379-T382 PolarHBondContact O-N 2.71Å; T382-T386 WeakPolarHBondContact O-CB 3.19Å; T382-T386 PolarHBondContact O-N 2.64Å; T382-T386 PolarHBondContact O-OG1 3.13Å
383	E	76.5	Confident	72.6	Confident	29 Å²	29	63.3 Å²	63.3	14%	0.136	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-50.3	173.1	178.1	174.2	-155.8	0	0	110.8	R120 S379 F385 T386 I387	R120-E383 HydrophobicContact CB-CB 4.25Å; R120-E383 WeakPolarHBondContact CD-OE2 3.41Å; R120-E383 HydrophobicContact CG-CB 4.47Å; R120-E383 IonicContact CZ-OE2 3.63Å; R120-E383 IonicContact NE-OE2 3.86Å; R120-E383 IonicContact NH1-OE2 2.69Å; R120-E383 PolarHBondContact NH1-OE2 3.25Å; S379-E383 PolarHBondContact O-N 2.67Å; S379-E383 VanDerWaalsContact O-N 3.08Å; E383-F385 PolarHBondContact O-N 3.18Å; E383-T386 PolarHBondContact O-N 3.33Å; E383-I387 HydrophobicContact CG-CD1 3.72Å; E383-I387 HydrophobicContact CG-CG1 4.47Å; E383-I387 VanDerWaalsContact O-CG1 3.3Å; E383-I387 WeakPolarHBondContact O-CG1 3.29Å; E383-I387 PolarHBondContact O-N 2.82Å
384	A	70.9	Confident	73.6	Confident	16 Å²	16	58.1 Å²	58.1	13%	0.132	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-45.5	179.4	0	0	0	0	0	112.4	E380 R381 A388	E380-A384 WeakPolarHBondContact O-CB 3.12Å; E380-A384 PolarHBondContact O-N 3.39Å; R381-A384 PolarHBondContact O-N 2.92Å; A384-A388 VanDerWaalsContact O-CB 3.31Å; A384-A388 WeakPolarHBondContact O-CB 3.38Å; A384-A388 PolarHBondContact O-N 3.45Å
385	F	76.3	Confident	74.4	Confident	73 Å²	73	51.2 Å²	51.2	32%	0.32	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-46.8	177.4	178	-96.6	0	0	0	112.2	L344 V347 I351 R381 E383 A388 R389	L344-F385 HydrophobicContact CD1-CE2 3.77Å; L344-F385 HydrophobicContact CD1-CZ 3.84Å; V347-F385 HydrophobicContact CG1-CD2 3.75Å; V347-F385 HydrophobicContact CG1-CE2 4.31Å; I351-F385 HydrophobicContact CD1-CB 4.24Å; I351-F385 HydrophobicContact CD1-CD2 4.25Å; R381-F385 VanDerWaalsContact O-CB 3.3Å; R381-F385 WeakPolarHBondContact O-CB 3.32Å; R381-F385 PolarHBondContact O-N 2.89Å; E383-F385 PolarHBondContact O-N 3.18Å; F385-A388 PolarHBondContact O-N 2.7Å; F385-R389 VanDerWaalsContact O-CB 3.24Å; F385-R389 WeakPolarHBondContact O-CB 3.32Å; F385-R389 PolarHBondContact O-N 2.68Å
386	T	79	Confident	75.2	Confident	15 Å²	15	45.3 Å²	45.3	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-45.5	179.5	-59.7	0	0	0	0	111.4	A119 T382 E383 N390	A119-T386 HydrophobicContact CB-CG2 4.12Å; T382-T386 WeakPolarHBondContact O-CB 3.19Å; T382-T386 PolarHBondContact O-N 2.64Å; T382-T386 PolarHBondContact O-OG1 3.13Å; E383-T386 PolarHBondContact O-N 3.33Å; T386-N390 WeakPolarHBondContact O-CB 3.49Å; T386-N390 VanDerWaalsContact O-CG 3.3Å; T386-N390 PolarHBondContact O-N 3.12Å; T386-N390 PolarHBondContact O-OD1 3.21Å
387	I	77.7	Confident	76	Confident	32 Å²	32	45.6 Å²	45.6	16%	0.164	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-50.7	176.8	-67.5	170.6	0	0	0	110.3	E383 R389 N390 L391	E383-I387 HydrophobicContact CG-CD1 3.72Å; E383-I387 HydrophobicContact CG-CG1 4.47Å; E383-I387 VanDerWaalsContact O-CG1 3.3Å; E383-I387 WeakPolarHBondContact O-CG1 3.29Å; E383-I387 PolarHBondContact O-N 2.82Å; I387-R389 PolarHBondContact O-N 2.81Å; I387-N390 PolarHBondContact O-N 2.89Å; I387-L391 HydrophobicContact CG2-CD1 3.7Å; I387-L391 HydrophobicContact CG2-CG 4.28Å; I387-L391 WeakPolarHBondContact O-CB 3.47Å; I387-L391 VanDerWaalsContact O-CG 3.27Å; I387-L391 WeakPolarHBondContact O-CG 3.35Å; I387-L391 PolarHBondContact O-N 2.82Å
388	A	75.5	Confident	76.8	Confident	16 Å²	16	42.8 Å²	42.8	13%	0.132	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-42	-177.2	0	0	0	0	0	112.1	L229 V347 A384 F385 L391 L392	L229-A388 HydrophobicContact CD2-CB 4.03Å; V347-A388 HydrophobicContact CG1-CB 4.05Å; V347-A388 HydrophobicContact CG2-CB 3.61Å; A384-A388 VanDerWaalsContact O-CB 3.31Å; A384-A388 WeakPolarHBondContact O-CB 3.38Å; A384-A388 PolarHBondContact O-N 3.45Å; F385-A388 PolarHBondContact O-N 2.7Å; A388-L391 PolarHBondContact O-N 2.92Å; A388-L392 WeakPolarHBondContact O-CB 3.47Å; A388-L392 WeakPolarHBondContact O-CD1 3.47Å; A388-L392 VanDerWaalsContact O-CG 3.28Å; A388-L392 WeakPolarHBondContact O-CG 3.31Å; A388-L392 PolarHBondContact O-N 3.19Å
389	R	77.2	Confident	77.2	Confident	123 Å²	123	41.4 Å²	41.4	46%	0.464	21%	0.213	S	C	.	.	H	α-helix	trans	-59.6	-52	174	-174.8	-162.5	68.3	-179.6	-1.6	111.5	F385 I387 L391 L392 T393	F385-R389 VanDerWaalsContact O-CB 3.24Å; F385-R389 WeakPolarHBondContact O-CB 3.32Å; F385-R389 PolarHBondContact O-N 2.68Å; I387-R389 PolarHBondContact O-N 2.81Å; R389-L391 VanDerWaalsContact C-N 3.33Å; R389-L391 PolarHBondContact O-N 3.31Å; R389-L392 PolarHBondContact O-N 3.4Å; R389-T393 PolarHBondContact O-N 2.88Å; R389-T393 PolarHBondContact O-OG1 3.33Å
390	N	81.3	Confident	77.4	Confident	36 Å²	36	43 Å²	43	19%	0.193	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-37.8	-177.8	-71.5	20.1	0	0	0	111.6	D115 T386 I387 A394	D115-N390 PolarHBondContact OD2-ND2 3.3Å; T386-N390 WeakPolarHBondContact O-CB 3.49Å; T386-N390 VanDerWaalsContact O-CG 3.3Å; T386-N390 PolarHBondContact O-N 3.12Å; T386-N390 PolarHBondContact O-OD1 3.21Å; I387-N390 PolarHBondContact O-N 2.89Å; N390-A394 PolarHBondContact O-N 2.86Å
391	L	80.3	Confident	78	Confident	10 Å²	10	44.9 Å²	44.9	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-38.2	173.7	-69.5	172.4	0	0	0	112.6	V109 A112 T225 L229 I387 A388 R389 A394 A395	V109-L391 HydrophobicContact CG2-CD2 4.4Å; A112-L391 HydrophobicContact CB-CD2 4.06Å; A112-L391 HydrophobicContact CB-CG 4.46Å; T225-L391 HydrophobicContact CG2-CB 4.39Å; T225-L391 HydrophobicContact CG2-CD2 4.06Å; L229-L391 HydrophobicContact CD2-CB 4.28Å; L229-L391 HydrophobicContact CD2-CD1 4.2Å; L229-L391 HydrophobicContact CG-CB 4.42Å; L229-L391 HydrophobicContact CG-CD1 4.37Å; I387-L391 HydrophobicContact CG2-CD1 3.7Å; I387-L391 HydrophobicContact CG2-CG 4.28Å; I387-L391 WeakPolarHBondContact O-CB 3.47Å; I387-L391 VanDerWaalsContact O-CG 3.27Å; I387-L391 WeakPolarHBondContact O-CG 3.35Å; I387-L391 PolarHBondContact O-N 2.82Å; A388-L391 PolarHBondContact O-N 2.92Å; R389-L391 VanDerWaalsContact C-N 3.33Å; R389-L391 PolarHBondContact O-N 3.31Å; L391-A394 PolarHBondContact O-N 3.48Å; L391-A395 WeakPolarHBondContact O-CB 3.48Å; L391-A395 PolarHBondContact O-N 3.47Å
392	L	77.1	Confident	78.4	Confident	31 Å²	31	40 Å²	40	16%	0.162	21%	0.21	C	C	.	.	H	α-helix	trans	-70.4	-37.3	177	-76.3	163.9	0	0	0	112.5	L229 G343 M346 V347 A388 R389 A395 A396	L229-L392 HydrophobicContact CD1-CD2 3.81Å; L229-L392 HydrophobicContact CD1-CG 4.01Å; G343-L392 WeakPolarHBondContact O-CD1 3.11Å; M346-L392 HydrophobicContact CE-CD2 4.29Å; V347-L392 HydrophobicContact CG2-CD1 3.4Å; V347-L392 VanDerWaalsContact CG2-CD1 3.4Å; A388-L392 WeakPolarHBondContact O-CB 3.47Å; A388-L392 WeakPolarHBondContact O-CD1 3.47Å; A388-L392 VanDerWaalsContact O-CG 3.28Å; A388-L392 WeakPolarHBondContact O-CG 3.31Å; A388-L392 PolarHBondContact O-N 3.19Å; R389-L392 PolarHBondContact O-N 3.4Å; L392-A395 PolarHBondContact O-N 3.49Å; L392-A396 WeakPolarHBondContact O-CB 3.48Å; L392-A396 PolarHBondContact O-N 2.98Å
393	T	77.9	Confident	78.3	Confident	71 Å²	71	40.7 Å²	40.7	44%	0.436	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-45.4	170.1	-55.3	0	0	0	0	110.9	R389 A395 A396 D397	R389-T393 PolarHBondContact O-N 2.88Å; R389-T393 PolarHBondContact O-OG1 3.33Å; T393-A395 VanDerWaalsContact C-N 3.32Å; T393-A395 PolarHBondContact O-N 2.97Å; T393-A396 PolarHBondContact O-N 3.27Å; T393-D397 PolarHBondContact O-N 3.18Å
394	A	79.5	Confident	78.1	Confident	42 Å²	42	41.8 Å²	41.8	35%	0.347	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-35.1	176.3	0	0	0	0	0	113.2	N390 L391 A398	N390-A394 PolarHBondContact O-N 2.86Å; L391-A394 PolarHBondContact O-N 3.48Å; A394-A398 WeakPolarHBondContact O-CB 3.31Å; A394-A398 PolarHBondContact O-N 3.3Å
395	A	78.3	Confident	78.5	Confident	14 Å²	14	41.2 Å²	41.2	12%	0.116	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-37.9	174.4	0	0	0	0	0	112.6	T225 L391 L392 T393 A398 I399	T225-A395 HydrophobicContact CG2-CB 4.47Å; L391-A395 WeakPolarHBondContact O-CB 3.48Å; L391-A395 PolarHBondContact O-N 3.47Å; L392-A395 PolarHBondContact O-N 3.49Å; T393-A395 VanDerWaalsContact C-N 3.32Å; T393-A395 PolarHBondContact O-N 2.97Å; A395-A398 PolarHBondContact O-N 3.43Å; A395-I399 WeakPolarHBondContact O-CG1 3.48Å; A395-I399 PolarHBondContact O-N 3.39Å
396	A	77.6	Confident	78.4	Confident	14 Å²	14	42.7 Å²	42.7	12%	0.116	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-47.8	173.5	0	0	0	0	0	111.4	L392 T393 A398 I399 E400	L392-A396 WeakPolarHBondContact O-CB 3.48Å; L392-A396 PolarHBondContact O-N 2.98Å; T393-A396 PolarHBondContact O-N 3.27Å; A396-A398 PolarHBondContact O-N 3.37Å; A396-I399 PolarHBondContact O-N 3.4Å; A396-I399 VanDerWaalsContact O-N 3.1Å; A396-E400 WeakPolarHBondContact O-CB 3.38Å; A396-E400 PolarHBondContact O-N 2.99Å
397	D	80.3	Confident	78	Confident	68 Å²	68	45.8 Å²	45.8	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-55.9	-38	173.5	-80	0.9	0	0	0	112.3	T393 R401	T393-D397 PolarHBondContact O-N 3.18Å; D397-R401 WeakPolarHBondContact O-CG 3.26Å; D397-R401 PolarHBondContact O-N 3.44Å
398	A	83.9	Confident	78.2	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-44.5	176	0	0	0	0	0	111.5	P218 D221 V222 A394 A395 A396 R401 I402	P218-A398 HydrophobicContact CB-CB 4Å; P218-A398 WeakPolarHBondContact CB-O 3.17Å; D221-A398 HydrophobicContact CB-CB 4.06Å; V222-A398 HydrophobicContact CG2-CB 3.8Å; A394-A398 WeakPolarHBondContact O-CB 3.31Å; A394-A398 PolarHBondContact O-N 3.3Å; A395-A398 PolarHBondContact O-N 3.43Å; A396-A398 PolarHBondContact O-N 3.37Å; A398-R401 WeakPolarHBondContact O-CB 3.26Å; A398-R401 PolarHBondContact O-N 3.12Å; A398-I402 WeakPolarHBondContact O-CG1 3.31Å; A398-I402 PolarHBondContact O-N 3.26Å
399	I	78.4	Confident	78.5	Confident	36 Å²	36	46.3 Å²	46.3	19%	0.185	23%	0.233	C	C	.	.	H	α-helix	trans	-75.2	-30.3	-177.9	-68.5	163.5	0	0	0	112.1	V222 M335 W339 A395 A396 R401 I402 M403	V222-I399 HydrophobicContact CG1-CD1 4.25Å; V222-I399 HydrophobicContact CG2-CD1 3.78Å; V222-I399 HydrophobicContact CG2-CG1 3.52Å; M335-I399 HydrophobicContact CE-CG2 4.48Å; M335-I399 HydrophobicContact SD-CG2 4.47Å; W339-I399 HydrophobicContact CH2-CB 4.26Å; W339-I399 HydrophobicContact CH2-CD1 3.77Å; W339-I399 HydrophobicContact CH2-CG2 3.63Å; W339-I399 HydrophobicContact CZ2-CG2 4.18Å; W339-I399 HydrophobicContact CZ3-CB 4.17Å; W339-I399 HydrophobicContact CZ3-CD1 3.51Å; W339-I399 HydrophobicContact CZ3-CG1 4.41Å; W339-I399 HydrophobicContact CZ3-CG2 4.04Å; A395-I399 WeakPolarHBondContact O-CG1 3.48Å; A395-I399 PolarHBondContact O-N 3.39Å; A396-I399 PolarHBondContact O-N 3.4Å; A396-I399 VanDerWaalsContact O-N 3.1Å; I399-R401 VanDerWaalsContact C-N 3.31Å; I399-R401 PolarHBondContact O-N 3.11Å; I399-I402 HydrophobicContact CG1-CD1 4.31Å; I399-I402 PolarHBondContact O-N 2.83Å; I399-M403 PolarHBondContact O-N 2.91Å
400	E	77.6	Confident	78.4	Confident	33 Å²	33	41.3 Å²	41.3	15%	0.154	22%	0.216	C	C	.	.	H	α-helix	trans	-57.3	-44.1	165.9	-176.2	175	155.9	0	0	110.9	Q332 M335 K336 A396 M403 S404	Q332-E400 PolarHBondContact NE2-OE1 3.44Å; M335-E400 HydrophobicContact CB-CB 4.4Å; M335-E400 HydrophobicContact CB-CG 4.48Å; M335-E400 HydrophobicContact CG-CB 4.42Å; K336-E400 WeakPolarHBondContact CE-OE2 3.44Å; K336-E400 IonicContact NZ-OE1 2.75Å; K336-E400 PolarHBondContact NZ-OE1 3.45Å; K336-E400 IonicContact NZ-OE2 3.25Å; K336-E400 PolarHBondContact NZ-OE2 3.01Å; A396-E400 WeakPolarHBondContact O-CB 3.38Å; A396-E400 PolarHBondContact O-N 2.99Å; E400-M403 PolarHBondContact O-N 3.25Å; E400-S404 PolarHBondContact O-N 3.34Å; E400-S404 PolarHBondContact O-OG 2.83Å
401	R	83.1	Confident	78.3	Confident	96 Å²	96	41.9 Å²	41.9	36%	0.362	22%	0.218	S	C	.	.	H	α-helix	trans	-64.9	-41.7	174.1	-71.1	-178.9	-164.4	120.7	15.7	113.1	P218 D397 A398 I399 M403 S404 S405	P218-R401 HydrophobicContact CG-CB 3.87Å; D397-R401 WeakPolarHBondContact O-CG 3.26Å; D397-R401 PolarHBondContact O-N 3.44Å; A398-R401 WeakPolarHBondContact O-CB 3.26Å; A398-R401 PolarHBondContact O-N 3.12Å; I399-R401 VanDerWaalsContact C-N 3.31Å; I399-R401 PolarHBondContact O-N 3.11Å; R401-M403 VanDerWaalsContact C-N 3.31Å; R401-M403 PolarHBondContact O-N 2.94Å; R401-S404 WeakPolarHBondContact CA-OG 3.47Å; R401-S404 PolarHBondContact O-N 3.46Å; R401-S404 PolarHBondContact O-OG 3.5Å; R401-S405 WeakPolarHBondContact O-CB 3.19Å; R401-S405 PolarHBondContact O-N 3.31Å
402	I	82.3	Confident	78.6	Confident	44 Å²	44	41.6 Å²	41.6	23%	0.226	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-44.5	176.4	-66.9	168.4	0	0	0	110	P218 L219 V222 A398 I399 S405	P218-I402 HydrophobicContact CB-CD1 3.83Å; P218-I402 HydrophobicContact CB-CG1 3.52Å; P218-I402 HydrophobicContact CG-CG1 4.5Å; L219-I402 HydrophobicContact CD2-CD1 4Å; L219-I402 HydrophobicContact CG-CD1 4.35Å; V222-I402 HydrophobicContact CG2-CD1 4.3Å; A398-I402 WeakPolarHBondContact O-CG1 3.31Å; A398-I402 PolarHBondContact O-N 3.26Å; I399-I402 HydrophobicContact CG1-CD1 4.31Å; I399-I402 PolarHBondContact O-N 2.83Å; I402-S405 PolarHBondContact O-N 3.21Å; I402-S405 PolarHBondContact O-OG 3.07Å
403	M	73.1	Confident	78.9	Confident	56 Å²	56	40.7 Å²	40.7	28%	0.276	21%	0.214	S	C	.	.	H	α-helix	trans	-67.8	-43.2	177.2	-72.4	-56.4	-56	0	0	112.5	L258 M335 I399 E400 R401 S405 Y406	L258-M403 HydrophobicContact CD1-CE 4.05Å; M335-M403 HydrophobicContact CE-CB 4.17Å; M335-M403 HydrophobicContact CE-CG 3.56Å; I399-M403 PolarHBondContact O-N 2.91Å; E400-M403 PolarHBondContact O-N 3.25Å; R401-M403 VanDerWaalsContact C-N 3.31Å; R401-M403 PolarHBondContact O-N 2.94Å; M403-S405 PolarHBondContact O-N 3.47Å; M403-Y406 VanDerWaalsContact O-CB 3.26Å; M403-Y406 WeakPolarHBondContact O-CB 3.42Å; M403-Y406 PolarHBondContact O-N 3.48Å; M403-Y406 VanDerWaalsContact O-N 3.1Å
404	S	71.9	Confident	79.1	Confident	51 Å²	51	38.6 Å²	38.6	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-32.2	176.5	70.5	0	0	0	0	112.7	E400 R401 Y406 K407	E400-S404 PolarHBondContact O-N 3.34Å; E400-S404 PolarHBondContact O-OG 2.83Å; R401-S404 WeakPolarHBondContact CA-OG 3.47Å; R401-S404 PolarHBondContact O-N 3.46Å; R401-S404 PolarHBondContact O-OG 3.5Å; S404-Y406 PolarHBondContact O-N 3.29Å; S404-Y406 VanDerWaalsContact O-N 3.13Å; S404-K407 WeakPolarHBondContact O-CB 3.5Å; S404-K407 PolarHBondContact O-N 2.9Å; S404-K407 VanDerWaalsContact O-N 3.11Å
405	S	80.5	Confident	79.4	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-16.9	177.5	81.8	0	0	0	0	113.6	L215 R401 I402 M403 K407 E408 V409	L215-S405 WeakPolarHBondContact CD2-OG 3.5Å; R401-S405 WeakPolarHBondContact O-CB 3.19Å; R401-S405 PolarHBondContact O-N 3.31Å; I402-S405 PolarHBondContact O-N 3.21Å; I402-S405 PolarHBondContact O-OG 3.07Å; M403-S405 PolarHBondContact O-N 3.47Å; S405-K407 PolarHBondContact O-N 3.34Å; S405-E408 CarbonylContact O-C 3.58Å; S405-E408 WeakPolarHBondContact O-CA 3.39Å; S405-E408 WeakPolarHBondContact O-CB 3.41Å; S405-E408 PolarHBondContact O-N 2.97Å; S405-V409 WeakPolarHBondContact O-CG2 3.47Å; S405-V409 PolarHBondContact O-N 3.27Å
406	Y	73.5	Confident	80	Confident	105 Å²	105	38.8 Å²	38.8	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-56.7	-33.2	172.1	177.8	-104.6	0	0	0	112.2	M403 S404 T410	M403-Y406 VanDerWaalsContact O-CB 3.26Å; M403-Y406 WeakPolarHBondContact O-CB 3.42Å; M403-Y406 PolarHBondContact O-N 3.48Å; M403-Y406 VanDerWaalsContact O-N 3.1Å; S404-Y406 PolarHBondContact O-N 3.29Å; S404-Y406 VanDerWaalsContact O-N 3.13Å; Y406-T410 WeakPolarHBondContact O-CB 3.41Å; Y406-T410 PolarHBondContact O-N 2.74Å; Y406-T410 PolarHBondContact O-OG1 3.48Å
407	K	70.9	Confident	80.3	Confident	79 Å²	79	39.4 Å²	39.4	34%	0.343	20%	0.2	S	C	.	.	H	α-helix	trans	-65	-45.5	173	-174.9	174.5	179.7	-70	0	111.4	S404 S405 T410 E411	S404-K407 WeakPolarHBondContact O-CB 3.5Å; S404-K407 PolarHBondContact O-N 2.9Å; S404-K407 VanDerWaalsContact O-N 3.11Å; S405-K407 PolarHBondContact O-N 3.34Å; K407-T410 WeakPolarHBondContact O-CB 3.18Å; K407-T410 PolarHBondContact O-N 2.82Å; K407-T410 VanDerWaalsContact O-N 3.13Å; K407-E411 IonicContact NZ-OE1 2.57Å; K407-E411 PolarHBondContact NZ-OE1 2.86Å; K407-E411 IonicContact NZ-OE2 2.78Å; K407-E411 WeakPolarHBondContact O-CG 3.45Å; K407-E411 PolarHBondContact O-N 2.77Å
408	E	81.1	Confident	80.6	Confident	38 Å²	38	39.9 Å²	39.9	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-38.9	177.7	-63.3	168.6	-148.5	0	0	111.9	H210 L211 N214 S405 T410 L412	H210-E408 IonicContact CE1-OE1 3.93Å; H210-E408 PolarHBondContact CE1-OE1 3.04Å; H210-E408 IonicContact CE1-OE2 3.99Å; H210-E408 PolarHBondContact CE1-OE2 3.16Å; H210-E408 VanDerWaalsContact CE1-OE2 3.25Å; H210-E408 IonicContact ND1-OE1 2.8Å; H210-E408 IonicContact ND1-OE2 2.67Å; H210-E408 PolarHBondContact ND1-OE2 3.17Å; L211-E408 HydrophobicContact CD1-CB 3.99Å; N214-E408 VanDerWaalsContact ND2-CD 3.33Å; N214-E408 PolarHBondContact ND2-OE1 3.35Å; N214-E408 PolarHBondContact ND2-OE2 2.8Å; N214-E408 VanDerWaalsContact ND2-OE2 3.08Å; S405-E408 CarbonylContact O-C 3.58Å; S405-E408 WeakPolarHBondContact O-CA 3.39Å; S405-E408 WeakPolarHBondContact O-CB 3.41Å; S405-E408 PolarHBondContact O-N 2.97Å; E408-T410 VanDerWaalsContact C-N 3.33Å; E408-L412 WeakPolarHBondContact O-CB 3.39Å; E408-L412 PolarHBondContact O-N 3.21Å
409	V	82.9	Confident	81	Confident	21 Å²	21	39.9 Å²	39.9	13%	0.127	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-39.9	171	175.4	0	0	0	0	111.3	M67 F71 L211 S405 A413	M67-V409 HydrophobicContact SD-CG1 4.31Å; F71-V409 HydrophobicContact CE1-CG1 4.48Å; L211-V409 HydrophobicContact CD1-CG2 3.76Å; L211-V409 HydrophobicContact CD2-CG2 3.91Å; L211-V409 HydrophobicContact CG-CG2 4.48Å; S405-V409 WeakPolarHBondContact O-CG2 3.47Å; S405-V409 PolarHBondContact O-N 3.27Å; V409-A413 WeakPolarHBondContact O-CB 3.1Å; V409-A413 PolarHBondContact O-N 3.13Å
410	T	75.8	Confident	81.7	Confident	18 Å²	18	39.6 Å²	39.6	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-69.4	-42.6	179.9	-56.1	0	0	0	0	111.6	Y406 K407 E408 A413 G414	Y406-T410 WeakPolarHBondContact O-CB 3.41Å; Y406-T410 PolarHBondContact O-N 2.74Å; Y406-T410 PolarHBondContact O-OG1 3.48Å; K407-T410 WeakPolarHBondContact O-CB 3.18Å; K407-T410 PolarHBondContact O-N 2.82Å; K407-T410 VanDerWaalsContact O-N 3.13Å; E408-T410 VanDerWaalsContact C-N 3.33Å; T410-A413 WeakPolarHBondContact O-CB 3.47Å; T410-A413 PolarHBondContact O-N 2.99Å; T410-G414 PolarHBondContact O-N 3.04Å
411	E	79.3	Confident	82.3	Confident	48 Å²	48	41.7 Å²	41.7	22%	0.224	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-46.1	172.9	-73.6	168.9	172.5	0	0	111.5	V269 K407 A413 G414 Y415	V269-E411 HydrophobicContact CG1-CG 4.37Å; K407-E411 IonicContact NZ-OE1 2.57Å; K407-E411 PolarHBondContact NZ-OE1 2.86Å; K407-E411 IonicContact NZ-OE2 2.78Å; K407-E411 WeakPolarHBondContact O-CG 3.45Å; K407-E411 PolarHBondContact O-N 2.77Å; E411-A413 PolarHBondContact O-N 3.41Å; E411-G414 WeakPolarHBondContact O-CA 3.12Å; E411-G414 PolarHBondContact O-N 3.02Å; E411-Y415 HydrophobicContact CB-CE2 4.1Å; E411-Y415 WeakPolarHBondContact O-CD2 3.44Å; E411-Y415 PolarHBondContact O-N 2.71Å
412	L	86.4	Confident	82.7	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-36.6	173.5	178.3	61	0	0	0	111.8	L75 F204 V208 L211 E408 G414 Y415 T416	L75-L412 HydrophobicContact CD1-CD2 4.42Å; F204-L412 HydrophobicContact CD2-CD1 3.6Å; F204-L412 HydrophobicContact CE2-CD1 3.71Å; V208-L412 HydrophobicContact CG2-CD1 3.55Å; V208-L412 HydrophobicContact CG2-CD2 4.23Å; L211-L412 HydrophobicContact CD2-CD2 3.45Å; L211-L412 VanDerWaalsContact CD2-CD2 3.45Å; E408-L412 WeakPolarHBondContact O-CB 3.39Å; E408-L412 PolarHBondContact O-N 3.21Å; L412-G414 VanDerWaalsContact C-N 3.33Å; L412-G414 PolarHBondContact O-N 3Å; L412-Y415 PolarHBondContact O-N 2.85Å; L412-T416 WeakPolarHBondContact O-CB 3.28Å; L412-T416 PolarHBondContact O-N 2.9Å; L412-T416 PolarHBondContact O-OG1 3.44Å
413	A	82.5	Confident	83.2	Confident	13 Å²	13	35 Å²	35	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-38	174.9	0	0	0	0	0	112.4	F71 V409 T410 E411 A417	F71-A413 HydrophobicContact CD2-CB 3.61Å; F71-A413 VanDerWaalsContact CE2-CA 3.49Å; F71-A413 HydrophobicContact CE2-CB 3.76Å; F71-A413 HydrophobicContact CG-CB 4.1Å; F71-A413 HydrophobicContact CZ-CB 4.35Å; V409-A413 WeakPolarHBondContact O-CB 3.1Å; V409-A413 PolarHBondContact O-N 3.13Å; T410-A413 WeakPolarHBondContact O-CB 3.47Å; T410-A413 PolarHBondContact O-N 2.99Å; E411-A413 PolarHBondContact O-N 3.41Å; A413-A417 WeakPolarHBondContact O-CB 3.35Å; A413-A417 PolarHBondContact O-N 3Å
414	G	81.7	Confident	84.1	Confident	27 Å²	27	36 Å²	36	28%	0.278	18%	0.181	S	C	.	.	H	α-helix	trans	-62.5	-50.7	171.8	0	0	0	0	0	112.9	T410 E411 L412 A417 R418	T410-G414 PolarHBondContact O-N 3.04Å; E411-G414 WeakPolarHBondContact O-CA 3.12Å; E411-G414 PolarHBondContact O-N 3.02Å; L412-G414 VanDerWaalsContact C-N 3.33Å; L412-G414 PolarHBondContact O-N 3Å; G414-A417 PolarHBondContact O-N 3.01Å; G414-R418 PolarHBondContact O-N 3.33Å
415	Y	86.1	Confident	85	Confident	59 Å²	59	33.6 Å²	33.6	23%	0.231	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-42.1	176.8	-59.8	-58.8	0	0	0	112.1	A203 E411 L412 A417 R418 V419	A203-Y415 HydrophobicContact CB-CD1 3.66Å; A203-Y415 HydrophobicContact CB-CD2 4.25Å; A203-Y415 HydrophobicContact CB-CE1 3.35Å; A203-Y415 HydrophobicContact CB-CE2 3.99Å; A203-Y415 HydrophobicContact CB-CG 4.12Å; E411-Y415 HydrophobicContact CB-CE2 4.1Å; E411-Y415 WeakPolarHBondContact O-CD2 3.44Å; E411-Y415 PolarHBondContact O-N 2.71Å; L412-Y415 PolarHBondContact O-N 2.85Å; Y415-A417 VanDerWaalsContact C-N 3.29Å; Y415-A417 PolarHBondContact O-N 3.3Å; Y415-R418 VanDerWaalsContact CE1-NH2 3.31Å; Y415-R418 PolarHBondContact O-N 3.41Å; Y415-V419 WeakPolarHBondContact O-CB 3.42Å; Y415-V419 WeakPolarHBondContact O-CG2 3.43Å; Y415-V419 PolarHBondContact O-N 3.27Å
416	T	90.3	Very high	85.5	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-41.9	175.5	-63.1	0	0	0	0	111.4	F71 R74 L75 L78 F204 L412 H420	F71-T416 HydrophobicContact CD2-CG2 3.88Å; F71-T416 HydrophobicContact CE2-CG2 4.07Å; R74-T416 HydrophobicContact CB-CG2 3.73Å; L75-T416 HydrophobicContact CB-CG2 4.05Å; L78-T416 HydrophobicContact CD1-CG2 4.16Å; F204-T416 WeakPolarHBondContact CE2-OG1 3.06Å; L412-T416 WeakPolarHBondContact O-CB 3.28Å; L412-T416 PolarHBondContact O-N 2.9Å; L412-T416 PolarHBondContact O-OG1 3.44Å; T416-H420 WeakPolarHBondContact O-CB 3.39Å; T416-H420 PolarHBondContact O-N 3.14Å; T416-H420 VanDerWaalsContact O-N 3.08Å
417	A	85.8	Confident	86.4	Confident	26 Å²	26	30.6 Å²	30.6	22%	0.215	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-53.9	177.8	0	0	0	0	0	111.3	A413 G414 Y415 H420 E421	A413-A417 WeakPolarHBondContact O-CB 3.35Å; A413-A417 PolarHBondContact O-N 3Å; G414-A417 PolarHBondContact O-N 3.01Å; Y415-A417 VanDerWaalsContact C-N 3.29Å; Y415-A417 PolarHBondContact O-N 3.3Å; A417-H420 PolarHBondContact O-N 2.92Å; A417-E421 VanDerWaalsContact O-CB 3.23Å; A417-E421 WeakPolarHBondContact O-CB 3.37Å; A417-E421 PolarHBondContact O-N 3.08Å
418	R	86.3	Confident	87.2	Confident	79 Å²	79	27.7 Å²	27.7	30%	0.298	14%	0.141	S	C	.	.	H	α-helix	trans	-66	-43.2	-177	-64.8	-167.2	-61	-84.6	3.4	113	D200 G414 Y415 E421 M422	D200-R418 IonicContact OD1-CZ 3.74Å; D200-R418 VanDerWaalsContact OD1-CZ 3.27Å; D200-R418 IonicContact OD1-NE 3.36Å; D200-R418 PolarHBondContact OD1-NE 2.92Å; D200-R418 IonicContact OD1-NH2 2.71Å; D200-R418 PolarHBondContact OD1-NH2 2.99Å; D200-R418 WeakPolarHBondContact OD2-CD 3.41Å; D200-R418 IonicContact OD2-CZ 3.89Å; D200-R418 IonicContact OD2-NE 3.21Å; D200-R418 PolarHBondContact OD2-NE 3.47Å; D200-R418 IonicContact OD2-NH2 3.67Å; G414-R418 PolarHBondContact O-N 3.33Å; Y415-R418 VanDerWaalsContact CE1-NH2 3.31Å; Y415-R418 PolarHBondContact O-N 3.41Å; R418-E421 PolarHBondContact O-N 3.32Å; R418-M422 WeakPolarHBondContact O-CB 3.26Å; R418-M422 PolarHBondContact O-N 3.34Å
419	V	91.7	Very high	87.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-41.5	178.3	175.6	0	0	0	0	111.5	L78 D200 V201 F204 Y415 M422 F423	L78-V419 HydrophobicContact CD1-CB 4.3Å; L78-V419 HydrophobicContact CD1-CG1 4.15Å; L78-V419 HydrophobicContact CD2-CG1 3.93Å; D200-V419 HydrophobicContact CB-CG2 3.85Å; V201-V419 HydrophobicContact CG2-CG1 4.14Å; V201-V419 HydrophobicContact CG2-CG2 4.14Å; F204-V419 HydrophobicContact CB-CG2 4.04Å; F204-V419 HydrophobicContact CG-CG2 4.47Å; Y415-V419 WeakPolarHBondContact O-CB 3.42Å; Y415-V419 WeakPolarHBondContact O-CG2 3.43Å; Y415-V419 PolarHBondContact O-N 3.27Å; V419-M422 PolarHBondContact O-N 3Å; V419-F423 HydrophobicContact CG1-CD2 3.88Å; V419-F423 HydrophobicContact CG1-CE2 3.63Å; V419-F423 WeakPolarHBondContact O-CD2 3.45Å; V419-F423 PolarHBondContact O-N 3.41Å; V419-F423 VanDerWaalsContact O-N 3.13Å
420	H	92.6	Very high	87.6	Confident	30 Å²	30	27.2 Å²	27.2	14%	0.139	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-41	175.3	176.3	78.4	0	0	0	112.3	R74 W77 L78 T416 A417 F423 Q424	R74-H420 HydrophobicContact CB-CB 4.15Å; R74-H420 HydrophobicContact CG-CB 4.25Å; R74-H420 VanDerWaalsContact CG-CD2 3.45Å; R74-H420 WeakPolarHBondContact CG-CD2 3.08Å; R74-H420 PolarHBondContact NE-CD2 2.96Å; W77-H420 AromaticContact CD2-ND1 3.85Å; W77-H420 AromaticContact CE3-ND1 3.38Å; W77-H420 AromaticContact CZ3-ND1 3.87Å; L78-H420 HydrophobicContact CD1-CB 4.37Å; T416-H420 WeakPolarHBondContact O-CB 3.39Å; T416-H420 PolarHBondContact O-N 3.14Å; T416-H420 VanDerWaalsContact O-N 3.08Å; A417-H420 PolarHBondContact O-N 2.92Å; H420-F423 PolarHBondContact O-N 3.04Å; H420-Q424 WeakPolarHBondContact O-CB 3.48Å; H420-Q424 PolarHBondContact O-N 2.81Å
421	E	89.8	Confident	88	Confident	76 Å²	76	33.1 Å²	33.1	36%	0.355	16%	0.158	S	C	.	.	H	α-helix	trans	-62.5	-42.2	175.7	-179.5	160.5	-152.6	0	0	111.7	L190 A417 R418 F423 Q424 V425	L190-E421 HydrophobicContact CD2-CG 4.39Å; A417-E421 VanDerWaalsContact O-CB 3.23Å; A417-E421 WeakPolarHBondContact O-CB 3.37Å; A417-E421 PolarHBondContact O-N 3.08Å; R418-E421 PolarHBondContact O-N 3.32Å; E421-F423 PolarHBondContact O-N 2.98Å; E421-Q424 PolarHBondContact O-N 3.08Å; E421-V425 HydrophobicContact CG-CG2 4.33Å; E421-V425 WeakPolarHBondContact O-CB 3.34Å; E421-V425 WeakPolarHBondContact O-CG2 3.22Å; E421-V425 PolarHBondContact O-N 3.33Å
422	M	92.3	Very high	88	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-54.6	-52.6	172.3	-178.2	-162.5	72.5	0	0	111.6	A170 L190 L197 V201 R418 V419 Q424 V425 F426	A170-M422 HydrophobicContact CB-CE 4.04Å; L190-M422 HydrophobicContact CD1-CB 4.4Å; L190-M422 HydrophobicContact CD1-CG 4.21Å; L197-M422 HydrophobicContact CD2-CE 4.32Å; L197-M422 HydrophobicContact CD2-SD 3.9Å; L197-M422 HydrophobicContact CG-SD 3.95Å; V201-M422 HydrophobicContact CG2-CE 3.89Å; V201-M422 HydrophobicContact CG2-SD 4.5Å; R418-M422 WeakPolarHBondContact O-CB 3.26Å; R418-M422 PolarHBondContact O-N 3.34Å; V419-M422 PolarHBondContact O-N 3Å; M422-Q424 PolarHBondContact O-N 3.02Å; M422-V425 PolarHBondContact O-N 2.98Å; M422-F426 HydrophobicContact CE-CE2 4.22Å; M422-F426 HydrophobicContact CG-CD1 4.42Å; M422-F426 HydrophobicContact CG-CE1 3.72Å; M422-F426 HydrophobicContact CG-CE2 3.84Å; M422-F426 HydrophobicContact CG-CZ 3.39Å; M422-F426 WeakPolarHBondContact O-CD1 3.05Å; M422-F426 VanDerWaalsContact O-CG 3.28Å; M422-F426 WeakPolarHBondContact O-CG 3.47Å; M422-F426 PolarHBondContact O-N 2.95Å; M422-F426 HydrophobicContact SD-CE2 4.1Å; M422-F426 HydrophobicContact SD-CZ 3.9Å
423	F	93.5	Very high	87.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-40.7	177.4	-77.4	-64.3	0	0	0	112.9	W77 L78 L166 H169 A170 L173 V419 H420 E421 V425 F426 E427	W77-F423 HydrophobicContact CH2-CB 3.65Å; W77-F423 HydrophobicContact CH2-CD2 4.46Å; W77-F423 HydrophobicContact CH2-CG 4.08Å; W77-F423 HydrophobicContact CZ3-CB 3.8Å; W77-F423 HydrophobicContact CZ3-CD2 4.01Å; W77-F423 HydrophobicContact CZ3-CG 4.07Å; L78-F423 HydrophobicContact CD2-CD2 3.85Å; L78-F423 HydrophobicContact CD2-CE2 4.03Å; L166-F423 HydrophobicContact CD2-CE2 4.26Å; L166-F423 HydrophobicContact CD2-CZ 4.38Å; H169-F423 AromaticContact CD2-CE1 3.43Å; H169-F423 VanDerWaalsContact CD2-CE1 3.43Å; H169-F423 WeakPolarHBondContact CD2-CE1 3.4Å; H169-F423 AromaticContact CD2-CZ 3.95Å; A170-F423 HydrophobicContact CB-CE1 3.74Å; A170-F423 HydrophobicContact CB-CZ 3.93Å; L173-F423 HydrophobicContact CD1-CD1 3.73Å; L173-F423 HydrophobicContact CD1-CE1 4.14Å; V419-F423 HydrophobicContact CG1-CD2 3.88Å; V419-F423 HydrophobicContact CG1-CE2 3.63Å; V419-F423 WeakPolarHBondContact O-CD2 3.45Å; V419-F423 PolarHBondContact O-N 3.41Å; V419-F423 VanDerWaalsContact O-N 3.13Å; H420-F423 PolarHBondContact O-N 3.04Å; E421-F423 PolarHBondContact O-N 2.98Å; F423-V425 PolarHBondContact O-N 3.25Å; F423-F426 PolarHBondContact O-N 3.39Å; F423-E427 PolarHBondContact O-N 3.35Å
424	Q	91.8	Very high	87.7	Confident	77 Å²	77	39 Å²	39	36%	0.36	19%	0.186	S	C	.	.	H	α-helix	trans	-63.4	-41.2	177.5	-176	179.5	5	0	0	111.7	H420 E421 M422 E427 D428	H420-Q424 WeakPolarHBondContact O-CB 3.48Å; H420-Q424 PolarHBondContact O-N 2.81Å; E421-Q424 PolarHBondContact O-N 3.08Å; M422-Q424 PolarHBondContact O-N 3.02Å; Q424-E427 PolarHBondContact O-N 3.26Å; Q424-D428 VanDerWaalsContact O-CB 3.29Å; Q424-D428 WeakPolarHBondContact O-CB 3.29Å; Q424-D428 PolarHBondContact O-N 2.72Å
425	V	90.1	Very high	87.2	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-41.5	175.9	173.2	0	0	0	0	110.3	V183 D187 R189 L190 E421 M422 F423 D428 V429	V183-V425 HydrophobicContact CG1-CG1 4.37Å; V183-V425 HydrophobicContact CG2-CG1 4.32Å; D187-V425 HydrophobicContact CB-CG1 4.49Å; R189-V425 HydrophobicContact CB-CG2 3.98Å; L190-V425 HydrophobicContact CD1-CB 3.87Å; L190-V425 HydrophobicContact CD1-CG1 3.78Å; L190-V425 HydrophobicContact CD1-CG2 4.31Å; L190-V425 HydrophobicContact CD2-CG2 4.33Å; L190-V425 HydrophobicContact CG-CB 4.09Å; L190-V425 HydrophobicContact CG-CG1 3.98Å; L190-V425 HydrophobicContact CG-CG2 4Å; E421-V425 HydrophobicContact CG-CG2 4.33Å; E421-V425 WeakPolarHBondContact O-CB 3.34Å; E421-V425 WeakPolarHBondContact O-CG2 3.22Å; E421-V425 PolarHBondContact O-N 3.33Å; M422-V425 PolarHBondContact O-N 2.98Å; F423-V425 PolarHBondContact O-N 3.25Å; V425-D428 PolarHBondContact O-N 2.8Å; V425-V429 HydrophobicContact CG1-CG2 4.26Å; V425-V429 VanDerWaalsContact O-CB 3.26Å; V425-V429 WeakPolarHBondContact O-CB 3.46Å; V425-V429 VanDerWaalsContact O-CG2 3.26Å; V425-V429 WeakPolarHBondContact O-CG2 3.45Å; V425-V429 PolarHBondContact O-N 3.36Å
426	F	91.8	Very high	86.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-44.1	176.2	-64.7	1.2	0	0	0	111.8	L173 Y174 T179 V183 L190 L197 M422 F423 Q430	L173-F426 HydrophobicContact CB-CB 4.23Å; L173-F426 HydrophobicContact CB-CD2 4.09Å; Y174-F426 HydrophobicContact CD2-CD1 4.43Å; Y174-F426 AromaticContact CD2-CE1 3.78Å; Y174-F426 HydrophobicContact CD2-CE1 3.78Å; Y174-F426 AromaticContact CD2-CE2 3.89Å; Y174-F426 HydrophobicContact CD2-CE2 3.89Å; Y174-F426 AromaticContact CD2-CZ 3.47Å; Y174-F426 HydrophobicContact CD2-CZ 3.47Å; Y174-F426 VanDerWaalsContact CD2-CZ 3.47Å; Y174-F426 HydrophobicContact CE2-CE1 4.21Å; Y174-F426 HydrophobicContact CE2-CZ 4.09Å; Y174-F426 HydrophobicContact CG-CE2 4.31Å; Y174-F426 HydrophobicContact CG-CZ 4.27Å; T179-F426 HydrophobicContact CG2-CB 4.26Å; T179-F426 HydrophobicContact CG2-CG 4.43Å; V183-F426 HydrophobicContact CG1-CD1 4.43Å; V183-F426 HydrophobicContact CG1-CE1 4.12Å; V183-F426 HydrophobicContact CG2-CD1 3.8Å; V183-F426 HydrophobicContact CG2-CE1 4.2Å; L190-F426 HydrophobicContact CD1-CD1 4.27Å; L190-F426 HydrophobicContact CD1-CE1 3.8Å; L197-F426 HydrophobicContact CD1-CZ 4.36Å; L197-F426 HydrophobicContact CD2-CE2 4.07Å; L197-F426 HydrophobicContact CD2-CZ 4.23Å; L197-F426 HydrophobicContact CG-CZ 4.28Å; M422-F426 HydrophobicContact CE-CE2 4.22Å; M422-F426 HydrophobicContact CG-CD1 4.42Å; M422-F426 HydrophobicContact CG-CE1 3.72Å; M422-F426 HydrophobicContact CG-CE2 3.84Å; M422-F426 HydrophobicContact CG-CZ 3.39Å; M422-F426 WeakPolarHBondContact O-CD1 3.05Å; M422-F426 VanDerWaalsContact O-CG 3.28Å; M422-F426 WeakPolarHBondContact O-CG 3.47Å; M422-F426 PolarHBondContact O-N 2.95Å; M422-F426 HydrophobicContact SD-CE2 4.1Å; M422-F426 HydrophobicContact SD-CZ 3.9Å; F423-F426 PolarHBondContact O-N 3.39Å; F426-Q430 VanDerWaalsContact O-CB 3.28Å; F426-Q430 WeakPolarHBondContact O-CB 3.33Å; F426-Q430 PolarHBondContact O-N 2.95Å
427	E	91.1	Very high	84.5	Confident	45 Å²	45	44.9 Å²	44.9	21%	0.21	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-42.8	175.6	-79.8	-166.5	-145.6	0	0	113.1	F423 Q424 R431	F423-E427 PolarHBondContact O-N 3.35Å; Q424-E427 PolarHBondContact O-N 3.26Å; E427-R431 WeakPolarHBondContact O-CG 3.35Å; E427-R431 PolarHBondContact O-N 3.34Å; E427-R431 VanDerWaalsContact O-N 3.09Å; E427-R431 IonicContact OE2-CZ 2.69Å; E427-R431 IonicContact OE2-NH1 3.58Å; E427-R431 PolarHBondContact OE2-NH1 3.21Å; E427-R431 IonicContact OE2-NH2 3.93Å; E427-R431 PolarHBondContact OE2-NH2 2.92Å
428	D	88.4	Confident	82.8	Confident	18 Å²	18	51.7 Å²	51.7	10%	0.096	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-49.4	175.3	-84.2	-18	0	0	0	110.1	R189 Q424 V425 R431 C432 H433 K435	R189-D428 IonicContact CZ-OD2 2.88Å; R189-D428 IonicContact NH1-OD2 2.68Å; R189-D428 PolarHBondContact NH1-OD2 2.82Å; R189-D428 IonicContact NH2-OD2 2.77Å; R189-D428 PolarHBondContact NH2-OD2 3.45Å; Q424-D428 VanDerWaalsContact O-CB 3.29Å; Q424-D428 WeakPolarHBondContact O-CB 3.29Å; Q424-D428 PolarHBondContact O-N 2.72Å; V425-D428 PolarHBondContact O-N 2.8Å; D428-R431 CarbonylContact O-C 3.6Å; D428-R431 WeakPolarHBondContact O-CA 3.25Å; D428-R431 PolarHBondContact O-N 2.63Å; D428-R431 VanDerWaalsContact O-N 3.15Å; D428-C432 PolarHBondContact O-N 3.32Å; D428-H433 HydrophobicContact CB-CB 4.33Å; D428-H433 WeakPolarHBondContact O-CB 3.33Å; D428-H433 PolarHBondContact O-N 2.95Å; D428-K435 IonicContact OD1-NZ 3.33Å; D428-K435 IonicContact OD2-NZ 3.7Å; D428-K435 PolarHBondContact OD2-NZ 2.76Å
429	V	87.4	Confident	81	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.8	-35.5	-178.9	167	0	0	0	0	112.7	T179 R182 V183 D187 V425 R431 C432 F434	T179-V429 HydrophobicContact CG2-CB 4.49Å; T179-V429 HydrophobicContact CG2-CG1 4.09Å; R182-V429 HydrophobicContact CB-CG1 3.36Å; R182-V429 HydrophobicContact CG-CG1 4.41Å; V183-V429 HydrophobicContact CG2-CB 4.12Å; V183-V429 HydrophobicContact CG2-CG1 4Å; V183-V429 HydrophobicContact CG2-CG2 4.1Å; D187-V429 HydrophobicContact CB-CG2 3.78Å; V425-V429 HydrophobicContact CG1-CG2 4.26Å; V425-V429 VanDerWaalsContact O-CB 3.26Å; V425-V429 WeakPolarHBondContact O-CB 3.46Å; V425-V429 VanDerWaalsContact O-CG2 3.26Å; V425-V429 WeakPolarHBondContact O-CG2 3.45Å; V425-V429 PolarHBondContact O-N 3.36Å; V429-R431 VanDerWaalsContact C-N 3.28Å; V429-R431 PolarHBondContact O-N 3.06Å; V429-C432 WeakPolarHBondContact O-CA 3.48Å; V429-C432 PolarHBondContact O-N 2.98Å; V429-F434 HydrophobicContact CG1-CE1 4.02Å; V429-F434 HydrophobicContact CG2-CD1 4.22Å; V429-F434 HydrophobicContact CG2-CE1 4.27Å
430	Q	86	Confident	78.7	Confident	49 Å²	49	55.4 Å²	55.4	23%	0.229	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-33.5	172.4	-168.7	-173.8	39.5	0	0	111.5	S176 Q177 F426 C432	S176-Q430 PolarHBondContact OG-NE2 3.45Å; Q177-Q430 PolarHBondContact OE1-O 2.82Å; F426-Q430 VanDerWaalsContact O-CB 3.28Å; F426-Q430 WeakPolarHBondContact O-CB 3.33Å; F426-Q430 PolarHBondContact O-N 2.95Å; Q430-C432 PolarHBondContact O-N 3.5Å
431	R	84.3	Confident	76.3	Confident	143 Å²	143	58.8 Å²	58.8	54%	0.54	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	9.4	170.2	-63.8	175	-169.7	132.5	14.3	113.1	E427 D428 V429 H433	E427-R431 WeakPolarHBondContact O-CG 3.35Å; E427-R431 PolarHBondContact O-N 3.34Å; E427-R431 VanDerWaalsContact O-N 3.09Å; E427-R431 IonicContact OE2-CZ 2.69Å; E427-R431 IonicContact OE2-NH1 3.58Å; E427-R431 PolarHBondContact OE2-NH1 3.21Å; E427-R431 IonicContact OE2-NH2 3.93Å; E427-R431 PolarHBondContact OE2-NH2 2.92Å; D428-R431 CarbonylContact O-C 3.6Å; D428-R431 WeakPolarHBondContact O-CA 3.25Å; D428-R431 PolarHBondContact O-N 2.63Å; D428-R431 VanDerWaalsContact O-N 3.15Å; V429-R431 VanDerWaalsContact C-N 3.28Å; V429-R431 PolarHBondContact O-N 3.06Å; R431-H433 PolarHBondContact O-CD2 3.13Å; R431-H433 PolarHBondContact O-N 3.43Å
432	C	78.6	Confident	73.8	Confident	37 Å²	37	60.8 Å²	60.8	25%	0.25	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	27.9	-177.1	-54.7	0	0	0	0	114.4	R182 D428 V429 Q430 F434 I463	R182-C432 PolarHBondContact NH1-SG 3.33Å; D428-C432 PolarHBondContact O-N 3.32Å; V429-C432 WeakPolarHBondContact O-CA 3.48Å; V429-C432 PolarHBondContact O-N 2.98Å; Q430-C432 PolarHBondContact O-N 3.5Å; C432-F434 HydrophobicContact CB-CE2 4.09Å; C432-F434 HydrophobicContact CB-CZ 4.42Å; C432-F434 WeakPolarHBondContact O-CD2 3.33Å; C432-F434 WeakPolarHBondContact O-CE2 3.3Å; C432-I463 HydrophobicContact CB-CD1 3.44Å; C432-I463 VanDerWaalsContact CB-CD1 3.44Å
433	H	80.8	Confident	71.2	Confident	115 Å²	115	64.8 Å²	64.8	53%	0.532	32%	0.318	S	S	.	.			trans	-94.6	88.1	174.1	-68.3	175.8	0	0	0	110.7	D428 R431	D428-H433 HydrophobicContact CB-CB 4.33Å; D428-H433 WeakPolarHBondContact O-CB 3.33Å; D428-H433 PolarHBondContact O-N 2.95Å; R431-H433 PolarHBondContact O-CD2 3.13Å; R431-H433 PolarHBondContact O-N 3.43Å
434	F	80.9	Confident	68.4	Low	35 Å²	35	74.3 Å²	74.3	15%	0.154	36%	0.363	C	S	.	.			trans	-80.6	145.4	177.3	-53.2	-73.7	0	0	0	111.8	R182 M186 V429 C432 I463 P525	R182-F434 HydrophobicContact CB-CE1 4.12Å; M186-F434 HydrophobicContact CB-CD1 3.62Å; M186-F434 HydrophobicContact CB-CE1 3.7Å; M186-F434 HydrophobicContact CB-CG 4.36Å; M186-F434 HydrophobicContact CB-CZ 4.49Å; M186-F434 HydrophobicContact CE-CD1 4.12Å; M186-F434 HydrophobicContact CE-CD2 3.81Å; M186-F434 HydrophobicContact CE-CE1 3.8Å; M186-F434 HydrophobicContact CE-CE2 3.46Å; M186-F434 VanDerWaalsContact CE-CE2 3.46Å; M186-F434 HydrophobicContact CE-CG 4.13Å; M186-F434 HydrophobicContact CE-CZ 3.46Å; M186-F434 VanDerWaalsContact CE-CZ 3.46Å; M186-F434 HydrophobicContact CG-CE1 4.44Å; M186-F434 HydrophobicContact SD-CE1 3.92Å; M186-F434 HydrophobicContact SD-CE2 4.43Å; M186-F434 HydrophobicContact SD-CZ 3.83Å; V429-F434 HydrophobicContact CG1-CE1 4.02Å; V429-F434 HydrophobicContact CG2-CD1 4.22Å; V429-F434 HydrophobicContact CG2-CE1 4.27Å; C432-F434 HydrophobicContact CB-CE2 4.09Å; C432-F434 HydrophobicContact CB-CZ 4.42Å; C432-F434 WeakPolarHBondContact O-CD2 3.33Å; C432-F434 WeakPolarHBondContact O-CE2 3.3Å; F434-I463 HydrophobicContact CE2-CD1 4.19Å; F434-P525 HydrophobicContact CE2-CG 4.23Å
435	K	71.8	Confident	65.6	Low	82 Å²	82	73.7 Å²	73.7	36%	0.357	37%	0.371	S	S	.	.			trans	-129.2	131.2	170.9	-61.1	176.3	-174.3	139.7	0	109.9	D187 G188 D428	D187-K435 PolarHBondContact OD2-N 3.22Å; G188-K435 PolarHBondContact N-O 3.48Å; D428-K435 IonicContact OD1-NZ 3.33Å; D428-K435 IonicContact OD2-NZ 3.7Å; D428-K435 PolarHBondContact OD2-NZ 2.76Å
436	R	67.3	Low	63	Low	44 Å²	44	76.1 Å²	76.1	17%	0.166	40%	0.396	C	S	.	.			trans	-88.3	149.9	-176.1	-55.3	179.3	-178.8	126.5	-27.8	111.5	R438 E439 V457 G459 G486	R436-R438 VanDerWaalsContact C-N 3.27Å; R436-R438 PolarHBondContact O-N 3.06Å; R436-E439 HydrophobicContact CB-CB 4.45Å; R436-E439 HydrophobicContact CB-CG 3.91Å; R436-E439 WeakPolarHBondContact CD-OE1 3.31Å; R436-E439 HydrophobicContact CG-CG 4.31Å; R436-E439 WeakPolarHBondContact CG-OE1 3.26Å; R436-E439 IonicContact CZ-OE1 3.15Å; R436-E439 PolarHBondContact N-OE2 3.41Å; R436-E439 IonicContact NE-OE1 2.67Å; R436-E439 IonicContact NH1-OE1 3.33Å; R436-E439 PolarHBondContact NH1-OE1 3.01Å; R436-E439 PolarHBondContact O-N 3.14Å; R436-V457 PolarHBondContact NH2-O 3.06Å; R436-V457 VanDerWaalsContact NH2-O 3.13Å; R436-G459 PolarHBondContact NH1-O 2.89Å; R436-G486 VanDerWaalsContact NH2-CA 3.3Å
437	P	52.7	Low	60.5	Low	85 Å²	85	82 Å²	82	55%	0.552	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-55.2	-34.7	174.1	-29.1	36.6	0	0	0	115.4
438	R	49.5	Very low	58	Low	169 Å²	169	81.5 Å²	81.5	64%	0.638	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-89.3	-7.3	-178	-73.3	-172.6	171.2	155.8	-1	115.3	R436 L440 E441 D442	R436-R438 VanDerWaalsContact C-N 3.27Å; R436-R438 PolarHBondContact O-N 3.06Å; R438-L440 PolarHBondContact O-N 2.85Å; R438-E441 PolarHBondContact O-N 3.23Å; R438-D442 PolarHBondContact O-N 2.98Å
439	E	48.6	Very low	55.8	Low	56 Å²	56	86.9 Å²	86.9	26%	0.262	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-68.9	-2.1	172.3	-75.9	165.8	171.8	0	0	112.8	R436	R436-E439 HydrophobicContact CB-CB 4.45Å; R436-E439 HydrophobicContact CB-CG 3.91Å; R436-E439 WeakPolarHBondContact CD-OE1 3.31Å; R436-E439 HydrophobicContact CG-CG 4.31Å; R436-E439 WeakPolarHBondContact CG-OE1 3.26Å; R436-E439 IonicContact CZ-OE1 3.15Å; R436-E439 PolarHBondContact N-OE2 3.41Å; R436-E439 IonicContact NE-OE1 2.67Å; R436-E439 IonicContact NH1-OE1 3.33Å; R436-E439 PolarHBondContact NH1-OE1 3.01Å; R436-E439 PolarHBondContact O-N 3.14Å
440	L	44.8	Very low	53.9	Low	102 Å²	102	90.9 Å²	90.9	53%	0.534	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-82.9	-11.3	168.3	-73.7	166.3	0	0	0	114	A60 R438	A60-L440 HydrophobicContact CB-CD1 4.06Å; A60-L440 HydrophobicContact CB-CD2 3.97Å; R438-L440 PolarHBondContact O-N 2.85Å
441	E	41.6	Very low	52	Low	100 Å²	100	89.9 Å²	89.9	47%	0.467	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-51.4	-179.5	-61.9	174.3	128	0	0	110.2	A57 R438 A443	A57-E441 WeakPolarHBondContact CB-OE1 3.46Å; R438-E441 PolarHBondContact O-N 3.23Å; E441-A443 VanDerWaalsContact C-N 3.29Å; E441-A443 PolarHBondContact O-N 3.19Å
442	D	36.3	Very low	50.4	Low	119 Å²	119	93.4 Å²	93.4	64%	0.636	51%	0.514	S	S	*	.			trans	-85.1	31	-169.8	-60.5	-43.1	0	0	0	115.3	R438 Q444	R438-D442 PolarHBondContact O-N 2.98Å; D442-Q444 PolarHBondContact O-N 3.25Å
443	A	37.7	Very low	48.7	Very low	84 Å²	84	93.5 Å²	93.5	69%	0.694	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	14.5	-171.4	0	0	0	0	0	115.9	E441	E441-A443 VanDerWaalsContact C-N 3.29Å; E441-A443 PolarHBondContact O-N 3.19Å
444	Q	34.7	Very low	47.5	Very low	200 Å²	200	90.7 Å²	90.7	94%	0.935	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	35.4	-176.5	-66.8	-169.3	-20.5	0	0	113.9	D442	D442-Q444 PolarHBondContact O-N 3.25Å
445	A	32.9	Very low	46.4	Very low	64 Å²	64	92.4 Å²	92.4	53%	0.529	53%	0.531	S	S	.	.			trans	-112.7	162.3	167.8	0	0	0	0	0	112.3
446	G	35.8	Very low	45.8	Very low	52 Å²	52	95.8 Å²	95.8	54%	0.536	54%	0.542	S	S	.	.			trans	-79.2	-179.7	-166.8	0	0	0	0	0	116.2	G448	G446-G448 PolarHBondContact O-N 3.34Å
447	S	39.3	Very low	45.5	Very low	122 Å²	122	94.7 Å²	94.7	85%	0.853	54%	0.54	S	S	*	.			trans	-74.8	84.9	175	173	0	0	0	0	111.4
448	G	39.6	Very low	45.5	Very low	36 Å²	36	96.5 Å²	96.5	37%	0.371	54%	0.541	S	S	.	.			trans	-61.6	133.8	-178.9	0	0	0	0	0	115.1	G446	G446-G448 PolarHBondContact O-N 3.34Å
449	T	41.1	Very low	45.8	Very low	131 Å²	131	90 Å²	90	80%	0.804	53%	0.526	S	S	*	.			trans	-75.5	152.3	165.1	-51.9	0	0	0	0	109.7	G451	T449-G451 PolarHBondContact O-N 3.41Å; T449-G451 VanDerWaalsContact O-N 3.07Å
450	I	47.2	Very low	46.3	Very low	84 Å²	84	91.3 Å²	91.3	43%	0.431	54%	0.54	S	S	.	.			trans	-62.5	114.4	173.6	-59.7	174.8	0	0	0	108.7	V488	I450-V488 HydrophobicContact CG2-CG2 4.44Å
451	G	45.9	Very low	47.4	Very low	28 Å²	28	88 Å²	88	29%	0.289	52%	0.522	S	S	.	.			trans	-82.2	-175.1	-176.8	0	0	0	0	0	114.2	T449	T449-G451 PolarHBondContact O-N 3.41Å; T449-G451 VanDerWaalsContact O-N 3.07Å
452	R	52.3	Low	48.9	Very low	216 Å²	216	90 Å²	90	82%	0.815	53%	0.53	S	S	*	.	S	Bend	trans	-63.1	165.3	169.9	-72.2	179.7	172.1	173.5	-3.9	111	V455	R452-V455 HydrophobicContact CB-CG2 4.3Å; R452-V455 VanDerWaalsContact O-CB 3.23Å; R452-V455 WeakPolarHBondContact O-CB 3.4Å; R452-V455 VanDerWaalsContact O-CG2 3.31Å; R452-V455 WeakPolarHBondContact O-CG2 3.34Å; R452-V455 PolarHBondContact O-N 3.21Å
453	S	42.5	Very low	51	Low	40 Å²	40	87.3 Å²	87.3	28%	0.28	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	147.1	169.6	-176.7	0	0	0	0	112.1	V455 V488 V489 E676 G677	S453-V455 PolarHBondContact O-N 2.91Å; S453-V488 CarbonylContact C-O 3.6Å; S453-V488 WeakPolarHBondContact CA-O 3.41Å; S453-V489 PolarHBondContact OG-O 3.06Å; S453-E676 WeakPolarHBondContact CB-O 3.42Å; S453-E676 PolarHBondContact OG-O 3Å; S453-G677 WeakPolarHBondContact OG-CA 3.44Å
454	G	54.7	Low	53.1	Low	56 Å²	56	92.3 Å²	92.3	58%	0.577	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-14.1	-174.4	0	0	0	0	0	114.8	V488	G454-V488 PolarHBondContact N-O 3.4Å
455	V	59.5	Low	55.3	Low	71 Å²	71	83.4 Å²	83.4	43%	0.43	48%	0.477	S	S	.	.			trans	-78.7	139.4	174.4	-174.1	0	0	0	0	109.7	R452 S453 V488	R452-V455 HydrophobicContact CB-CG2 4.3Å; R452-V455 VanDerWaalsContact O-CB 3.23Å; R452-V455 WeakPolarHBondContact O-CB 3.4Å; R452-V455 VanDerWaalsContact O-CG2 3.31Å; R452-V455 WeakPolarHBondContact O-CG2 3.34Å; R452-V455 PolarHBondContact O-N 3.21Å; S453-V455 PolarHBondContact O-N 2.91Å; V455-V488 WeakPolarHBondContact O-CG2 3.49Å; V455-V488 PolarHBondContact O-N 3.32Å; V455-V488 VanDerWaalsContact O-N 3.09Å
456	R	58.8	Low	57.9	Low	152 Å²	152	86.5 Å²	86.5	57%	0.574	48%	0.481	S	S	*	.	B	Isolated β-bridge	trans	-87.7	140.4	172.3	-69.1	-176.3	179.3	143	7	110.9	E458 G486 E487	R456-E458 PolarHBondContact O-N 3.02Å; R456-G486 CarbonylContact C-O 3.6Å; R456-G486 VanDerWaalsContact CA-O 3.32Å; R456-G486 WeakPolarHBondContact CA-O 3.48Å; R456-E487 HydrophobicContact CG-CB 4.42Å; R456-E487 HydrophobicContact CG-CG 4.3Å; R456-E487 IonicContact CZ-OE2 2.76Å; R456-E487 IonicContact NE-OE2 3.71Å; R456-E487 PolarHBondContact NE-OE2 3.43Å; R456-E487 VanDerWaalsContact NE-OE2 3.14Å; R456-E487 IonicContact NH2-OE2 3.25Å; R456-E487 PolarHBondContact NH2-OE2 3.39Å
457	V	60.9	Low	60.5	Low	21 Å²	21	87.6 Å²	87.6	13%	0.127	48%	0.477	C	S	.	.			trans	-76.8	106.2	175.7	-175.1	0	0	0	0	109.6	R436 L461 I482 G486 V488	R436-V457 PolarHBondContact NH2-O 3.06Å; R436-V457 VanDerWaalsContact NH2-O 3.13Å; V457-L461 HydrophobicContact CB-CD2 3.94Å; V457-L461 HydrophobicContact CG1-CD2 4Å; V457-L461 HydrophobicContact CG2-CD2 4.11Å; V457-I482 HydrophobicContact CG2-CD1 4.23Å; V457-I482 HydrophobicContact CG2-CG2 4.42Å; V457-G486 PolarHBondContact N-O 3.46Å; V457-V488 HydrophobicContact CG2-CG2 3.71Å
458	E	51.8	Low	63	Low	123 Å²	123	84.4 Å²	84.4	58%	0.575	45%	0.452	S	S	*	.			trans	-63.3	136.2	170.5	-66.1	-178.2	179	0	0	111.2	R456	R456-E458 PolarHBondContact O-N 3.02Å
459	G	56.4	Low	65.5	Low	32 Å²	32	87.5 Å²	87.5	33%	0.33	46%	0.46	S	S	.	.	S	Bend	trans	77.3	179.6	-175.5	0	0	0	0	0	114.6	R436	R436-G459 PolarHBondContact NH1-O 2.89Å
460	P	59.2	Low	67.8	Low	84 Å²	84	83.1 Å²	83.1	55%	0.545	43%	0.433	S	S	.	.			trans	-73.8	131.9	-169.9	28.3	-35.1	0	0	0	112.5	K462	P460-K462 PolarHBondContact O-N 3.29Å
461	L	67.3	Low	69.6	Low	33 Å²	33	85.1 Å²	85.1	17%	0.173	44%	0.44	C	S	.	.			trans	-66.4	94.7	177.2	-75.4	170.6	0	0	0	111.8	V457 I482 Y527	V457-L461 HydrophobicContact CB-CD2 3.94Å; V457-L461 HydrophobicContact CG1-CD2 4Å; V457-L461 HydrophobicContact CG2-CD2 4.11Å; L461-I482 HydrophobicContact CD1-CG2 4.5Å; L461-I482 HydrophobicContact CD2-CD1 4.26Å; L461-I482 HydrophobicContact CD2-CG2 4.22Å; L461-Y527 HydrophobicContact CB-CD1 4Å; L461-Y527 HydrophobicContact CB-CE1 3.66Å; L461-Y527 HydrophobicContact CD1-CE1 4.05Å; L461-Y527 HydrophobicContact CD1-CE2 4.43Å; L461-Y527 HydrophobicContact CD2-CD1 4.31Å; L461-Y527 HydrophobicContact CD2-CE1 4.46Å; L461-Y527 HydrophobicContact CG-CE1 4.28Å
462	K	72.8	Confident	71.4	Confident	142 Å²	142	89.1 Å²	89.1	62%	0.617	45%	0.452	S	S	*	.			trans	-79.8	120.4	171.7	-66.5	178.9	-177.7	177.6	0	109.6	P460 R464	P460-K462 PolarHBondContact O-N 3.29Å; K462-R464 PolarHBondContact O-N 3.33Å
463	I	80.8	Confident	73	Confident	63 Å²	63	79.2 Å²	79.2	32%	0.323	42%	0.417	S	S	.	.			trans	-67.9	113.9	173.1	-60.6	165.7	0	0	0	108.1	C432 F434 P525 T526 Y527	C432-I463 HydrophobicContact CB-CD1 3.44Å; C432-I463 VanDerWaalsContact CB-CD1 3.44Å; F434-I463 HydrophobicContact CE2-CD1 4.19Å; I463-P525 HydrophobicContact CD1-CB 3.61Å; I463-P525 HydrophobicContact CD1-CG 3.76Å; I463-P525 HydrophobicContact CG1-CB 3.91Å; I463-P525 HydrophobicContact CG1-CG 3.98Å; I463-P525 HydrophobicContact CG2-CB 4.25Å; I463-T526 WeakPolarHBondContact CG2-O 3.45Å; I463-Y527 HydrophobicContact CG1-CD1 4.03Å; I463-Y527 HydrophobicContact CG1-CE1 4.01Å
464	R	80.8	Confident	75.5	Confident	189 Å²	189	77.3 Å²	77.3	71%	0.713	40%	0.404	S	S	*	.			trans	-121.1	-9.7	177.5	-60.5	178.7	-178.3	176.7	2.8	113.4	K462 Y527	K462-R464 PolarHBondContact O-N 3.33Å; R464-Y527 WeakPolarHBondContact CB-O 3.42Å; R464-Y527 PolarHBondContact N-O 3.05Å
465	G	81.9	Confident	77.4	Confident	12 Å²	12	76.7 Å²	76.7	12%	0.124	39%	0.386	C	S	.	.			trans	-78.9	147.3	177.6	0	0	0	0	0	111.6	T526 Y527 G528 G529	G465-T526 WeakPolarHBondContact CA-O 3.37Å; G465-T526 PolarHBondContact N-O 3.2Å; G465-T526 PolarHBondContact O-OG1 2.67Å; G465-Y527 PolarHBondContact N-O 3.02Å; G465-G528 VanDerWaalsContact CA-C 3.48Å; G465-G529 CarbonylContact C-O 3.53Å; G465-G529 WeakPolarHBondContact CA-O 3.26Å
466	Q	88	Confident	79	Confident	130 Å²	130	73.4 Å²	73.4	61%	0.607	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	143.7	-178.3	-59.2	-177.8	18.5	0	0	110.3	G529 V530 L531	Q466-G529 PolarHBondContact N-O 2.78Å; Q466-V530 HydrophobicContact CB-CG1 4.37Å; Q466-V530 CarbonylContact O-C 3.55Å; Q466-V530 WeakPolarHBondContact O-CA 3.37Å; Q466-L531 PolarHBondContact O-N 3.43Å
467	V	90.4	Very high	80.7	Confident	75 Å²	75	70 Å²	70	46%	0.455	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.6	172.4	-174.5	0	0	0	0	108.1	T526 L531 K533	V467-T526 HydrophobicContact CG2-CG2 4Å; V467-T526 WeakPolarHBondContact CG2-OG1 3.46Å; V467-L531 CarbonylContact C-O 3.49Å; V467-L531 WeakPolarHBondContact CA-O 3.44Å; V467-L531 HydrophobicContact CG1-CD2 4.38Å; V467-L531 HydrophobicContact CG1-CG 4.48Å; V467-L531 HydrophobicContact CG2-CB 4.37Å; V467-L531 HydrophobicContact CG2-CD2 4.49Å; V467-K533 HydrophobicContact CG1-CD 4.5Å; V467-K533 HydrophobicContact CG1-CG 4.24Å
468	V	91.4	Very high	82.2	Confident	55 Å²	55	73.5 Å²	73.5	33%	0.333	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.9	-179.6	-177	0	0	0	0	107.9	V470 V530 L531 Y532 K533	V468-V470 HydrophobicContact CG1-CG1 4.17Å; V468-V530 HydrophobicContact CG2-CG1 4.05Å; V468-L531 PolarHBondContact N-O 3.28Å; V468-Y532 HydrophobicContact CB-CD1 3.74Å; V468-Y532 HydrophobicContact CB-CE1 4.13Å; V468-Y532 HydrophobicContact CB-CG 4.47Å; V468-Y532 HydrophobicContact CG1-CD1 3.93Å; V468-Y532 HydrophobicContact CG1-CE1 4.26Å; V468-Y532 HydrophobicContact CG2-CD1 4.23Å; V468-Y532 HydrophobicContact CG2-CE1 4.12Å; V468-Y532 WeakPolarHBondContact O-CA 3.37Å; V468-K533 PolarHBondContact O-N 3.05Å; V468-K533 VanDerWaalsContact O-N 3.09Å
469	D	91	Very high	84.1	Confident	100 Å²	100	67.7 Å²	67.7	54%	0.535	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.3	172.9	-73.4	-43.1	0	0	0	109.8	K533	D469-K533 CarbonylContact C-O 3.59Å; D469-K533 WeakPolarHBondContact CA-O 3.31Å; D469-K533 IonicContact OD1-NZ 3.11Å; D469-K533 PolarHBondContact OD1-NZ 3.34Å
470	V	91	Very high	85.8	Confident	40 Å²	40	66.3 Å²	66.3	24%	0.242	33%	0.334	C	S	.	.			trans	-121.5	158.9	-179.7	-64.3	0	0	0	0	111.3	V468 Q472 Y532 K533 P534 P535	V468-V470 HydrophobicContact CG1-CG1 4.17Å; V470-Q472 WeakPolarHBondContact CG2-O 3.49Å; V470-Y532 HydrophobicContact CG1-CD1 4Å; V470-K533 WeakPolarHBondContact CG2-O 3.29Å; V470-K533 PolarHBondContact N-O 2.96Å; V470-P534 WeakPolarHBondContact O-CA 3.29Å; V470-P535 VanDerWaalsContact O-CD 3.25Å; V470-P535 WeakPolarHBondContact O-CD 3.33Å
471	E	83.5	Confident	87.2	Confident	125 Å²	125	62.3 Å²	62.3	58%	0.584	31%	0.308	S	S	*	.	S	Bend	trans	-68.9	-39.4	179.8	-75.8	-100	-173.8	0	0	112.9	R538	E471-R538 PolarHBondContact O-NH1 3.09Å; E471-R538 IonicContact OE2-CZ 3.27Å; E471-R538 IonicContact OE2-NH1 3.15Å; E471-R538 PolarHBondContact OE2-NH1 3.18Å; E471-R538 IonicContact OE2-NH2 2.7Å; E471-R538 PolarHBondContact OE2-NH2 3.04Å
472	Q	84	Confident	88.3	Confident	112 Å²	112	60.9 Å²	60.9	52%	0.523	30%	0.3	S	S	.	.	S	Bend	trans	-142.9	149.3	-170	-74.2	161.1	-50.1	0	0	110.2	V470 E499	V470-Q472 WeakPolarHBondContact CG2-O 3.49Å; Q472-E499 PolarHBondContact NE2-OE2 3.27Å
473	G	87.3	Confident	88.9	Confident	8 Å²	8	55.1 Å²	55.1	8%	0.082	28%	0.276	C	S	.	.			trans	80.4	157.9	177.4	0	0	0	0	0	114.8	V497 P534 Y625	G473-V497 CarbonylContact C-O 3.58Å; G473-V497 WeakPolarHBondContact CA-O 3.49Å; G473-P534 WeakPolarHBondContact O-CD 3.45Å; G473-Y625 WeakPolarHBondContact CA-OH 3.28Å; G473-Y625 PolarHBondContact N-OH 3.03Å
474	I	93.5	Very high	88.8	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.8	168.9	-62	165	0	0	0	106.9	V497 L520 Y532 P534 M539 Y625 L655	I474-V497 HydrophobicContact CB-CB 4.35Å; I474-V497 PolarHBondContact N-O 3.15Å; I474-V497 PolarHBondContact O-N 2.91Å; I474-L520 HydrophobicContact CG2-CD2 3.71Å; I474-Y532 CarbonylContact C-O 3.43Å; I474-Y532 WeakPolarHBondContact CA-O 3.4Å; I474-P534 HydrophobicContact CG1-CG 4.33Å; I474-M539 HydrophobicContact CD1-CE 3.97Å; I474-Y625 HydrophobicContact CD1-CD1 4.03Å; I474-Y625 HydrophobicContact CD1-CE1 4.47Å; I474-Y625 HydrophobicContact CD1-CG 4.27Å; I474-L655 HydrophobicContact CD1-CD1 4.47Å; I474-L655 HydrophobicContact CD1-CD2 3.83Å
475	I	94.5	Very high	88.5	Confident	42 Å²	42	48.2 Å²	48.2	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.9	-179.8	-45.3	-178.9	0	0	0	109.1	E477 I495 R496 Y532	I475-E477 HydrophobicContact CG2-CG 4.08Å; I475-I495 CarbonylContact C-O 3.6Å; I475-I495 WeakPolarHBondContact CA-O 3.21Å; I475-R496 HydrophobicContact CD1-CG 4.4Å; I475-R496 HydrophobicContact CG1-CG 4.18Å; I475-R496 HydrophobicContact CG2-CB 4.4Å; I475-Y532 HydrophobicContact CB-CD2 3.92Å; I475-Y532 HydrophobicContact CB-CG 4.39Å; I475-Y532 HydrophobicContact CG2-CD2 4.34Å; I475-Y532 PolarHBondContact N-O 3.46Å; I475-Y532 PolarHBondContact O-N 2.9Å
476	C	94.3	Very high	88.1	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.014	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.2	170.8	-58.5	0	0	0	0	108.1	I479 N494 I495	C476-I479 HydrophobicContact CB-CB 4.46Å; C476-I479 HydrophobicContact CB-CD1 3.59Å; C476-I479 HydrophobicContact CB-CG1 3.98Å; C476-N494 VanDerWaalsContact O-CA 3.29Å; C476-N494 WeakPolarHBondContact O-CA 3.3Å; C476-I495 HydrophobicContact CB-CG1 3.71Å; C476-I495 PolarHBondContact N-O 3Å; C476-I495 PolarHBondContact O-N 2.77Å; C476-I495 VanDerWaalsContact O-N 3.14Å
477	E	94	Very high	87.9	Confident	82 Å²	82	44.5 Å²	44.5	38%	0.383	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108	173.7	-64.4	-173.2	156.2	0	0	109.4	I475 I479 G529 V530 Y532	I475-E477 HydrophobicContact CG2-CG 4.08Å; E477-I479 VanDerWaalsContact C-N 3.34Å; E477-I479 PolarHBondContact O-N 2.79Å; E477-G529 CarbonylContact O-C 3.54Å; E477-G529 WeakPolarHBondContact O-CA 3.21Å; E477-V530 HydrophobicContact CB-CB 4.36Å; E477-V530 PolarHBondContact N-O 3.07Å; E477-V530 PolarHBondContact O-N 3.22Å; E477-Y532 HydrophobicContact CG-CE2 4.01Å; E477-Y532 WeakPolarHBondContact OE2-CE2 3.4Å; E477-Y532 PolarHBondContact OE2-OH 2.81Å
478	N	91.7	Very high	87.7	Confident	94 Å²	94	41 Å²	41	50%	0.503	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.9	43.9	-179.8	-62.3	-71.9	0	0	0	115.3	P480 S492 L493 N494 G529	N478-P480 WeakPolarHBondContact O-CD 3.17Å; N478-S492 VanDerWaalsContact CA-OG 3.28Å; N478-S492 WeakPolarHBondContact CA-OG 3.44Å; N478-S492 PolarHBondContact OD1-OG 2.96Å; N478-L493 PolarHBondContact N-O 2.76Å; N478-N494 PolarHBondContact N-OD1 3.38Å; N478-N494 PolarHBondContact OD1-ND2 3.43Å; N478-G529 WeakPolarHBondContact O-CA 3.2Å
479	I	92.3	Very high	87.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.9	-179.1	-59.4	-174.4	0	0	0	110.5	C476 E477 L493 T526 L531	C476-I479 HydrophobicContact CB-CB 4.46Å; C476-I479 HydrophobicContact CB-CD1 3.59Å; C476-I479 HydrophobicContact CB-CG1 3.98Å; E477-I479 VanDerWaalsContact C-N 3.34Å; E477-I479 PolarHBondContact O-N 2.79Å; I479-L493 PolarHBondContact N-O 3.44Å; I479-L493 VanDerWaalsContact N-O 3.09Å; I479-L493 WeakPolarHBondContact O-CB 3.19Å; I479-L493 PolarHBondContact O-N 3.41Å; I479-T526 HydrophobicContact CD1-CG2 4.49Å; I479-L531 HydrophobicContact CD1-CB 3.63Å; I479-L531 HydrophobicContact CD1-CD1 3.84Å; I479-L531 HydrophobicContact CD1-CG 4.23Å
480	P	91.6	Very high	87.4	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.8	169.4	33	-32.3	0	0	0	110.6	N478 I482 V490 G528	N478-P480 WeakPolarHBondContact O-CD 3.17Å; P480-I482 HydrophobicContact CB-CD1 4.16Å; P480-I482 HydrophobicContact CB-CG1 3.97Å; P480-I482 HydrophobicContact CG-CD1 4.27Å; P480-I482 HydrophobicContact CG-CG1 4.39Å; P480-V490 CarbonylContact C-O 3.47Å; P480-V490 VanDerWaalsContact CA-O 3.31Å; P480-V490 WeakPolarHBondContact CA-O 3.38Å; P480-G528 WeakPolarHBondContact CD-O 3.4Å
481	I	90.3	Very high	87.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	105.3	168.4	-56.1	-178.9	0	0	0	107.5	V489 V490 L493 L516 I519 F673	I481-V489 HydrophobicContact CG2-CB 4.29Å; I481-V489 PolarHBondContact O-N 2.64Å; I481-V490 HydrophobicContact CB-CB 4.01Å; I481-V490 HydrophobicContact CB-CG2 4.39Å; I481-V490 HydrophobicContact CD1-CB 4.18Å; I481-V490 HydrophobicContact CD1-CG2 4.02Å; I481-V490 HydrophobicContact CG1-CB 4.08Å; I481-V490 HydrophobicContact CG1-CG2 4.43Å; I481-V490 PolarHBondContact N-O 2.93Å; I481-V490 PolarHBondContact O-N 3.4Å; I481-L493 HydrophobicContact CD1-CD2 4.38Å; I481-L516 HydrophobicContact CD1-CB 4.01Å; I481-I519 HydrophobicContact CB-CD1 4.39Å; I481-I519 HydrophobicContact CG1-CD1 4.11Å; I481-I519 HydrophobicContact CG2-CD1 4.23Å; I481-F673 HydrophobicContact CD1-CE1 4.45Å; I481-F673 HydrophobicContact CD1-CZ 4.49Å
482	I	88.4	Confident	87.5	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.4	178.7	-42.4	-176.3	0	0	0	108.8	V457 L461 P480 E487 V488 Y527	V457-I482 HydrophobicContact CG2-CD1 4.23Å; V457-I482 HydrophobicContact CG2-CG2 4.42Å; L461-I482 HydrophobicContact CD1-CG2 4.5Å; L461-I482 HydrophobicContact CD2-CD1 4.26Å; L461-I482 HydrophobicContact CD2-CG2 4.22Å; P480-I482 HydrophobicContact CB-CD1 4.16Å; P480-I482 HydrophobicContact CB-CG1 3.97Å; P480-I482 HydrophobicContact CG-CD1 4.27Å; P480-I482 HydrophobicContact CG-CG1 4.39Å; I482-E487 WeakPolarHBondContact CA-O 3.34Å; I482-E487 WeakPolarHBondContact CG2-O 3.27Å; I482-V488 HydrophobicContact CD1-CG2 4.38Å; I482-V488 HydrophobicContact CG1-CG2 4.32Å; I482-V488 HydrophobicContact CG2-CG2 4.45Å; I482-Y527 HydrophobicContact CB-CD2 3.77Å; I482-Y527 HydrophobicContact CB-CE2 4.06Å; I482-Y527 HydrophobicContact CD1-CD2 4.01Å; I482-Y527 HydrophobicContact CD1-CG 4.14Å; I482-Y527 HydrophobicContact CG1-CD2 4.04Å
483	T	85.8	Confident	87.9	Confident	20 Å²	20	25.4 Å²	25.4	12%	0.123	15%	0.151	C	C	.	.			trans	-71.5	160.9	175.5	65.3	0	0	0	0	112.1	S485 G486 E487 V489	T483-S485 WeakPolarHBondContact CB-OG 3.36Å; T483-S485 PolarHBondContact O-N 2.72Å; T483-S485 PolarHBondContact OG1-N 3.1Å; T483-S485 PolarHBondContact OG1-OG 3.11Å; T483-G486 PolarHBondContact O-N 3.13Å; T483-G486 PolarHBondContact OG1-N 3.26Å; T483-E487 HydrophobicContact CG2-CB 4.22Å; T483-E487 PolarHBondContact N-O 2.97Å; T483-E487 WeakPolarHBondContact OG1-CB 3.27Å; T483-E487 PolarHBondContact OG1-N 3.49Å; T483-V489 HydrophobicContact CG2-CG2 3.66Å
484	P	78.5	Confident	88.2	Confident	31 Å²	31	27.9 Å²	27.9	20%	0.201	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.3	164.9	-27.3	35.6	0	0	0	113.9	N185 M186 G486 W524	N185-P484 WeakPolarHBondContact O-CB 3.31Å; M186-P484 HydrophobicContact CG-CB 4.41Å; M186-P484 HydrophobicContact CG-CG 4.18Å; P484-G486 PolarHBondContact O-N 2.92Å; P484-W524 VanDerWaalsContact CD-CH2 3.43Å; P484-W524 HydrophobicContact CG-CD2 4.43Å; P484-W524 HydrophobicContact CG-CH2 4.32Å; P484-W524 HydrophobicContact CG-CZ2 3.78Å
485	S	74.4	Confident	88.2	Confident	76 Å²	76	28.3 Å²	28.3	53%	0.531	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.9	172.7	55.2	0	0	0	0	114.1	T483	T483-S485 WeakPolarHBondContact CB-OG 3.36Å; T483-S485 PolarHBondContact O-N 2.72Å; T483-S485 PolarHBondContact OG1-N 3.1Å; T483-S485 PolarHBondContact OG1-OG 3.11Å
486	G	75.4	Confident	88.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	90.6	10.8	177.1	0	0	0	0	0	115.7	R436 R456 V457 T483 P484	R436-G486 VanDerWaalsContact NH2-CA 3.3Å; R456-G486 CarbonylContact C-O 3.6Å; R456-G486 VanDerWaalsContact CA-O 3.32Å; R456-G486 WeakPolarHBondContact CA-O 3.48Å; V457-G486 PolarHBondContact N-O 3.46Å; T483-G486 PolarHBondContact O-N 3.13Å; T483-G486 PolarHBondContact OG1-N 3.26Å; P484-G486 PolarHBondContact O-N 2.92Å
487	E	82.6	Confident	88.1	Confident	65 Å²	65	33.1 Å²	33.1	30%	0.304	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-89.6	125	-175.5	-154.8	161.8	110.8	0	0	110.1	R456 I482 T483 V489	R456-E487 HydrophobicContact CG-CB 4.42Å; R456-E487 HydrophobicContact CG-CG 4.3Å; R456-E487 IonicContact CZ-OE2 2.76Å; R456-E487 IonicContact NE-OE2 3.71Å; R456-E487 PolarHBondContact NE-OE2 3.43Å; R456-E487 VanDerWaalsContact NE-OE2 3.14Å; R456-E487 IonicContact NH2-OE2 3.25Å; R456-E487 PolarHBondContact NH2-OE2 3.39Å; I482-E487 WeakPolarHBondContact CA-O 3.34Å; I482-E487 WeakPolarHBondContact CG2-O 3.27Å; T483-E487 HydrophobicContact CG2-CB 4.22Å; T483-E487 PolarHBondContact N-O 2.97Å; T483-E487 WeakPolarHBondContact OG1-CB 3.27Å; T483-E487 PolarHBondContact OG1-N 3.49Å; E487-V489 PolarHBondContact O-N 3.02Å
488	V	85.5	Confident	87.9	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	108.3	176.9	-178.3	0	0	0	0	108.5	I450 S453 G454 V455 V457 I482 A491	I450-V488 HydrophobicContact CG2-CG2 4.44Å; S453-V488 CarbonylContact C-O 3.6Å; S453-V488 WeakPolarHBondContact CA-O 3.41Å; G454-V488 PolarHBondContact N-O 3.4Å; V455-V488 WeakPolarHBondContact O-CG2 3.49Å; V455-V488 PolarHBondContact O-N 3.32Å; V455-V488 VanDerWaalsContact O-N 3.09Å; V457-V488 HydrophobicContact CG2-CG2 3.71Å; I482-V488 HydrophobicContact CD1-CG2 4.38Å; I482-V488 HydrophobicContact CG1-CG2 4.32Å; I482-V488 HydrophobicContact CG2-CG2 4.45Å; V488-A491 HydrophobicContact CG1-CB 4.2Å
489	V	87.6	Confident	87.5	Confident	22 Å²	22	32.8 Å²	32.8	13%	0.133	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-34.5	179.5	-169.4	0	0	0	0	111.1	S453 I481 T483 E487 G677	S453-V489 PolarHBondContact OG-O 3.06Å; I481-V489 HydrophobicContact CG2-CB 4.29Å; I481-V489 PolarHBondContact O-N 2.64Å; T483-V489 HydrophobicContact CG2-CG2 3.66Å; E487-V489 PolarHBondContact O-N 3.02Å; V489-G677 VanDerWaalsContact O-CA 3.23Å; V489-G677 WeakPolarHBondContact O-CA 3.42Å
490	V	89.1	Confident	87.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	123.1	172.7	178.2	0	0	0	0	107.6	P480 I481 L493 F673	P480-V490 CarbonylContact C-O 3.47Å; P480-V490 VanDerWaalsContact CA-O 3.31Å; P480-V490 WeakPolarHBondContact CA-O 3.38Å; I481-V490 HydrophobicContact CB-CB 4.01Å; I481-V490 HydrophobicContact CB-CG2 4.39Å; I481-V490 HydrophobicContact CD1-CB 4.18Å; I481-V490 HydrophobicContact CD1-CG2 4.02Å; I481-V490 HydrophobicContact CG1-CB 4.08Å; I481-V490 HydrophobicContact CG1-CG2 4.43Å; I481-V490 PolarHBondContact N-O 2.93Å; I481-V490 PolarHBondContact O-N 3.4Å; V490-L493 HydrophobicContact CG1-CB 4.27Å; V490-F673 HydrophobicContact CG2-CD1 4.09Å; V490-F673 HydrophobicContact CG2-CE1 3.92Å
491	A	86.1	Confident	87.1	Confident	42 Å²	42	36.7 Å²	36.7	35%	0.347	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-31.8	-173.8	0	0	0	0	0	113.4	V488	V488-A491 HydrophobicContact CG1-CB 4.2Å
492	S	90.2	Very high	87.3	Confident	40 Å²	40	37.7 Å²	37.7	28%	0.28	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	117.2	175.8	178.2	0	0	0	0	110.4	N478 N494 W679	N478-S492 VanDerWaalsContact CA-OG 3.28Å; N478-S492 WeakPolarHBondContact CA-OG 3.44Å; N478-S492 PolarHBondContact OD1-OG 2.96Å; S492-N494 PolarHBondContact OG-ND2 3.46Å; S492-W679 PolarHBondContact O-NE1 3.43Å
493	L	92.4	Very high	87.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.7	173.7	-177.8	67.5	0	0	0	109.9	N478 I479 I481 V490 I495 L516 L671 F673 W679	N478-L493 PolarHBondContact N-O 2.76Å; I479-L493 PolarHBondContact N-O 3.44Å; I479-L493 VanDerWaalsContact N-O 3.09Å; I479-L493 WeakPolarHBondContact O-CB 3.19Å; I479-L493 PolarHBondContact O-N 3.41Å; I481-L493 HydrophobicContact CD1-CD2 4.38Å; V490-L493 HydrophobicContact CG1-CB 4.27Å; L493-I495 HydrophobicContact CD1-CG2 3.83Å; L493-I495 HydrophobicContact CD2-CD1 4.16Å; L493-I495 HydrophobicContact CD2-CG1 4.28Å; L493-I495 HydrophobicContact CG-CG1 4.28Å; L493-I495 HydrophobicContact CG-CG2 4.22Å; L493-L516 HydrophobicContact CD2-CD1 3.61Å; L493-L516 HydrophobicContact CD2-CD2 3.94Å; L493-L516 HydrophobicContact CD2-CG 4.4Å; L493-L671 HydrophobicContact CD1-CD1 4.33Å; L493-F673 HydrophobicContact CD1-CE1 4.47Å; L493-W679 HydrophobicContact CD1-CD2 3.66Å; L493-W679 HydrophobicContact CD1-CE3 4.14Å; L493-W679 HydrophobicContact CD1-CG 3.77Å
494	N	93.8	Very high	88	Confident	61 Å²	61	36.8 Å²	36.8	33%	0.326	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	99.7	176.5	-73.2	-76.8	0	0	0	110	C476 N478 S492 W679	C476-N494 VanDerWaalsContact O-CA 3.29Å; C476-N494 WeakPolarHBondContact O-CA 3.3Å; N478-N494 PolarHBondContact N-OD1 3.38Å; N478-N494 PolarHBondContact OD1-ND2 3.43Å; S492-N494 PolarHBondContact OG-ND2 3.46Å; N494-W679 HydrophobicContact CB-CH2 3.89Å; N494-W679 HydrophobicContact CB-CZ2 3.95Å; N494-W679 VanDerWaalsContact N-CZ2 3.28Å; N494-W679 WeakPolarHBondContact O-CH2 3.36Å; N494-W679 WeakPolarHBondContact O-CZ3 3.34Å
495	I	94.4	Very high	88.8	Confident	9 Å²	9	35.4 Å²	35.4	5%	0.046	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.9	-178.4	59.5	166.9	0	0	0	111.3	I475 C476 L493 L516 L671 W679 F681	I475-I495 CarbonylContact C-O 3.6Å; I475-I495 WeakPolarHBondContact CA-O 3.21Å; C476-I495 HydrophobicContact CB-CG1 3.71Å; C476-I495 PolarHBondContact N-O 3Å; C476-I495 PolarHBondContact O-N 2.77Å; C476-I495 VanDerWaalsContact O-N 3.14Å; L493-I495 HydrophobicContact CD1-CG2 3.83Å; L493-I495 HydrophobicContact CD2-CD1 4.16Å; L493-I495 HydrophobicContact CD2-CG1 4.28Å; L493-I495 HydrophobicContact CG-CG1 4.28Å; L493-I495 HydrophobicContact CG-CG2 4.22Å; I495-L516 HydrophobicContact CD1-CD2 4.38Å; I495-L671 HydrophobicContact CD1-CD2 4.2Å; I495-L671 HydrophobicContact CG2-CD1 4.08Å; I495-L671 HydrophobicContact CG2-CD2 4.49Å; I495-W679 HydrophobicContact CG2-CE3 4.43Å; I495-W679 HydrophobicContact CG2-CZ3 4.24Å; I495-F681 HydrophobicContact CG2-CB 4.42Å; I495-F681 HydrophobicContact CG2-CD2 4.1Å; I495-F681 HydrophobicContact CG2-CG 4.36Å
496	R	93.7	Very high	89.6	Confident	143 Å²	143	33 Å²	33	54%	0.54	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118.3	176.4	173.3	165.6	169.5	150.5	-5.1	109	I475 E498 F681	I475-R496 HydrophobicContact CD1-CG 4.4Å; I475-R496 HydrophobicContact CG1-CG 4.18Å; I475-R496 HydrophobicContact CG2-CB 4.4Å; R496-E498 HydrophobicContact CG-CG 4.08Å; R496-E498 IonicContact CZ-OE1 3.91Å; R496-E498 IonicContact NE-OE1 3.43Å; R496-E498 PolarHBondContact NE-OE1 3.33Å; R496-E498 IonicContact NH2-OE1 2.71Å; R496-E498 PolarHBondContact NH2-OE1 2.92Å; R496-F681 WeakPolarHBondContact O-CZ 3.31Å
497	V	92.6	Very high	90.3	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112.7	178.3	-173.9	0	0	0	0	107.5	G473 I474 M501 L503 L655	G473-V497 CarbonylContact C-O 3.58Å; G473-V497 WeakPolarHBondContact CA-O 3.49Å; I474-V497 HydrophobicContact CB-CB 4.35Å; I474-V497 PolarHBondContact N-O 3.15Å; I474-V497 PolarHBondContact O-N 2.91Å; V497-M501 HydrophobicContact CG1-CB 3.89Å; V497-L503 HydrophobicContact CG2-CD2 3.84Å; V497-L655 HydrophobicContact CG1-CD1 4.43Å
498	E	89.6	Confident	90.6	Very high	76 Å²	76	33.2 Å²	33.2	36%	0.355	19%	0.189	S	C	.	.			trans	-91.4	175.6	-176.9	-52.9	-169.2	137.8	0	0	111.3	R496 M501	R496-E498 HydrophobicContact CG-CG 4.08Å; R496-E498 IonicContact CZ-OE1 3.91Å; R496-E498 IonicContact NE-OE1 3.43Å; R496-E498 PolarHBondContact NE-OE1 3.33Å; R496-E498 IonicContact NH2-OE1 2.71Å; R496-E498 PolarHBondContact NH2-OE1 2.92Å; E498-M501 HydrophobicContact CB-CE 3.89Å; E498-M501 HydrophobicContact CB-CG 4.11Å; E498-M501 HydrophobicContact CB-SD 3.94Å; E498-M501 HydrophobicContact CG-CE 3.76Å; E498-M501 HydrophobicContact CG-SD 4.06Å; E498-M501 PolarHBondContact N-SD 2.94Å; E498-M501 WeakPolarHBondContact O-CB 3.44Å; E498-M501 PolarHBondContact O-N 3.45Å; E498-M501 WeakPolarHBondContact OE2-CE 3.39Å
499	E	84.3	Confident	90.7	Very high	93 Å²	93	39.7 Å²	39.7	44%	0.435	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	137.8	176.1	-166	154.9	-126.2	0	0	110.4	Q472 M501 K624	Q472-E499 PolarHBondContact NE2-OE2 3.27Å; E499-M501 PolarHBondContact O-N 3.41Å; E499-K624 WeakPolarHBondContact OE1-CD 3.29Å; E499-K624 WeakPolarHBondContact OE1-CE 3.41Å; E499-K624 IonicContact OE1-NZ 3.77Å; E499-K624 PolarHBondContact OE1-NZ 2.95Å; E499-K624 IonicContact OE2-NZ 3.31Å
500	G	82.4	Confident	90.5	Very high	51 Å²	51	42.2 Å²	42.2	53%	0.526	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-5.4	-170.7	0	0	0	0	0	115.6	H502	G500-H502 PolarHBondContact O-CD2 3.44Å; G500-H502 PolarHBondContact O-N 2.9Å
501	M	91.8	Very high	90.4	Very high	36 Å²	36	42.6 Å²	42.6	18%	0.177	26%	0.256	C	S	.	.			trans	-78.2	118.5	170.8	-67.5	-169	176.9	0	0	110.9	V497 E498 E499	V497-M501 HydrophobicContact CG1-CB 3.89Å; E498-M501 HydrophobicContact CB-CE 3.89Å; E498-M501 HydrophobicContact CB-CG 4.11Å; E498-M501 HydrophobicContact CB-SD 3.94Å; E498-M501 HydrophobicContact CG-CE 3.76Å; E498-M501 HydrophobicContact CG-SD 4.06Å; E498-M501 PolarHBondContact N-SD 2.94Å; E498-M501 WeakPolarHBondContact O-CB 3.44Å; E498-M501 PolarHBondContact O-N 3.45Å; E498-M501 WeakPolarHBondContact OE2-CE 3.39Å; E499-M501 PolarHBondContact O-N 3.41Å
502	H	94.1	Very high	90.5	Very high	20 Å²	20	40.8 Å²	40.8	9%	0.093	24%	0.242	C	C	.	.			trans	-95.8	121.2	167.4	-53.8	-90.7	0	0	0	108.7	G500 K648 I652 L654 T668 H669	G500-H502 PolarHBondContact O-CD2 3.44Å; G500-H502 PolarHBondContact O-N 2.9Å; H502-K648 WeakPolarHBondContact NE2-CE 3.49Å; H502-I652 PolarHBondContact CE1-O 3.48Å; H502-I652 VanDerWaalsContact CE1-O 3.31Å; H502-L654 CarbonylContact C-O 3.58Å; H502-L654 VanDerWaalsContact CA-O 3.3Å; H502-L654 WeakPolarHBondContact CA-O 3.31Å; H502-L654 HydrophobicContact CB-CB 4.48Å; H502-L654 PolarHBondContact ND1-N 2.75Å; H502-T668 HydrophobicContact CB-CG2 4.32Å; H502-T668 PolarHBondContact N-OG1 3.16Å; H502-T668 PolarHBondContact O-N 3.39Å; H502-T668 PolarHBondContact O-OG1 3.16Å; H502-H669 PolarHBondContact O-N 3.31Å; H502-H669 VanDerWaalsContact O-N 3.1Å
503	L	94.8	Very high	90.6	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.9	-175	-179.7	61.3	0	0	0	111.3	V497 I505 L654 L655 S656 H667 H669 L671 F681	V497-L503 HydrophobicContact CG2-CD2 3.84Å; L503-I505 HydrophobicContact CD2-CD1 4.28Å; L503-I505 HydrophobicContact CD2-CG1 4.16Å; L503-I505 HydrophobicContact CG-CG1 4.05Å; L503-L654 PolarHBondContact N-O 2.94Å; L503-L655 HydrophobicContact CB-CG 4.21Å; L503-L655 WeakPolarHBondContact O-CA 3.4Å; L503-S656 PolarHBondContact O-N 2.94Å; L503-H667 VanDerWaalsContact C-CD2 3.45Å; L503-H667 PolarHBondContact O-CD2 3.14Å; L503-H669 HydrophobicContact CD1-CB 3.98Å; L503-L671 HydrophobicContact CD1-CB 4Å; L503-L671 HydrophobicContact CD2-CB 4.37Å; L503-L671 HydrophobicContact CG-CB 4.47Å; L503-F681 HydrophobicContact CD1-CD2 4.28Å; L503-F681 HydrophobicContact CD1-CE2 3.79Å
504	L	94.7	Very high	90.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.5	165.6	177.4	58.5	0	0	0	109.3	T658 W664 H667 H669 L670 L671 L684	L504-T658 HydrophobicContact CD1-CG2 3.39Å; L504-W664 HydrophobicContact CD2-CG 4.03Å; L504-H667 HydrophobicContact CB-CB 3.8Å; L504-H669 PolarHBondContact N-O 2.89Å; L504-L670 HydrophobicContact CB-CD1 3.93Å; L504-L670 HydrophobicContact CD2-CD1 3.83Å; L504-L670 HydrophobicContact CG-CD1 3.65Å; L504-L670 CarbonylContact O-C 3.56Å; L504-L670 WeakPolarHBondContact O-CA 3.21Å; L504-L671 PolarHBondContact O-N 2.83Å; L504-L684 HydrophobicContact CD2-CD2 4.04Å
505	I	94.9	Very high	90.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.6	177.5	-53.6	-175.5	0	0	0	109.1	L503 K513 L516 F517 S656 I657 T658 L671 F673	L503-I505 HydrophobicContact CD2-CD1 4.28Å; L503-I505 HydrophobicContact CD2-CG1 4.16Å; L503-I505 HydrophobicContact CG-CG1 4.05Å; I505-K513 HydrophobicContact CG2-CB 4.42Å; I505-K513 HydrophobicContact CG2-CG 4.47Å; I505-L516 HydrophobicContact CD1-CD2 4.39Å; I505-F517 HydrophobicContact CD1-CD1 4.41Å; I505-F517 HydrophobicContact CD1-CE1 3.42Å; I505-F517 VanDerWaalsContact CD1-CE1 3.42Å; I505-F517 HydrophobicContact CD1-CZ 3.74Å; I505-S656 WeakPolarHBondContact CB-O 3.07Å; I505-S656 PolarHBondContact N-O 3.31Å; I505-I657 HydrophobicContact CB-CG1 3.89Å; I505-I657 HydrophobicContact CD1-CG1 4.31Å; I505-I657 HydrophobicContact CG2-CG1 4.06Å; I505-T658 PolarHBondContact O-N 3.36Å; I505-L671 WeakPolarHBondContact CA-O 3.35Å; I505-L671 HydrophobicContact CD1-CD2 4.48Å; I505-L671 HydrophobicContact CG1-CB 4.34Å; I505-F673 HydrophobicContact CG2-CD2 4.14Å; I505-F673 HydrophobicContact CG2-CE2 3.73Å
506	T	92.1	Very high	90.5	Very high	26 Å²	26	38 Å²	38	16%	0.16	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	172.3	-177.8	-154.1	0	0	0	0	112.3	L670 L671 Q672 F673	T506-L670 HydrophobicContact CG2-CD1 3.85Å; T506-L671 PolarHBondContact N-O 3.32Å; T506-Q672 HydrophobicContact CG2-CB 3.97Å; T506-Q672 HydrophobicContact CG2-CG 3.88Å; T506-Q672 WeakPolarHBondContact O-CA 3.4Å; T506-F673 PolarHBondContact O-N 3.1Å
507	G	90.5	Very high	90.5	Very high	10 Å²	10	31.2 Å²	31.2	10%	0.103	20%	0.201	C	C	.	.			trans	133.3	173	-174.9	0	0	0	0	0	111.9	K513 H659 F673	G507-K513 PolarHBondContact O-NZ 3.43Å; G507-H659 PolarHBondContact O-CE1 2.67Å; G507-F673 VanDerWaalsContact CA-O 3.24Å; G507-F673 WeakPolarHBondContact CA-O 3.06Å
508	P	88.4	Confident	90.5	Very high	60 Å²	60	34.6 Å²	34.6	39%	0.39	21%	0.213	S	C	.	.			trans	-59	174.2	-174	-27.7	37.4	0	0	0	115.7	C511 K513 F673 D674	P508-C511 PolarHBondContact O-SG 2.86Å; P508-K513 PolarHBondContact O-NZ 3.26Å; P508-F673 WeakPolarHBondContact CD-O 3.47Å; P508-D674 WeakPolarHBondContact CD-O 3.48Å; P508-D674 VanDerWaalsContact CG-O 3.27Å; P508-D674 WeakPolarHBondContact CG-O 3.41Å
509	N	87.9	Confident	90.6	Very high	136 Å²	136	31.3 Å²	31.3	73%	0.727	20%	0.198	S	C	*	.	S	Bend	trans	-73.3	145.9	169.5	-70.1	-13.3	0	0	0	109.8	C511	N509-C511 VanDerWaalsContact C-N 3.29Å; N509-C511 PolarHBondContact O-N 2.92Å
510	G	83.1	Confident	91	Very high	76 Å²	76	27 Å²	27	78%	0.784	18%	0.178	S	C	*	.	S	Bend	trans	82.8	-21.8	-176.8	0	0	0	0	0	116.2	G512	G510-G512 PolarHBondContact O-N 3.33Å
511	C	87.3	Confident	91.3	Very high	7 Å²	7	26.2 Å²	26.2	5%	0.047	17%	0.17	C	C	.	.	S	Bend	trans	-68.5	17.2	-171.9	75.2	0	0	0	0	117.1	P508 N509 K513 F673	P508-C511 PolarHBondContact O-SG 2.86Å; N509-C511 VanDerWaalsContact C-N 3.29Å; N509-C511 PolarHBondContact O-N 2.92Å; C511-K513 VanDerWaalsContact SG-CG 3.54Å; C511-F673 HydrophobicContact CB-CB 4.14Å; C511-F673 VanDerWaalsContact SG-CB 3.53Å
512	G	87.6	Confident	91.1	Very high	4 Å²	4	25.8 Å²	25.8	4%	0.041	18%	0.175	C	C	.	.	S	Bend	trans	90	4	171.1	0	0	0	0	0	116.5	G510 S514 S515 L516	G510-G512 PolarHBondContact O-N 3.33Å; G512-S514 PolarHBondContact O-N 3.2Å; G512-S515 CarbonylContact O-C 3.38Å; G512-S515 WeakPolarHBondContact O-CA 3.31Å; G512-S515 VanDerWaalsContact O-CB 3.24Å; G512-S515 WeakPolarHBondContact O-CB 3.38Å; G512-S515 PolarHBondContact O-N 2.98Å; G512-L516 PolarHBondContact O-N 2.57Å
513	K	92.1	Very high	90.9	Very high	10 Å²	10	26.4 Å²	26.4	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-46.9	-63.5	-179.8	-49.5	-166.3	-64.2	-97.7	0	112.8	I505 G507 P508 C511 S515 L516 I657 H659 F673	I505-K513 HydrophobicContact CG2-CB 4.42Å; I505-K513 HydrophobicContact CG2-CG 4.47Å; G507-K513 PolarHBondContact O-NZ 3.43Å; P508-K513 PolarHBondContact O-NZ 3.26Å; C511-K513 VanDerWaalsContact SG-CG 3.54Å; K513-S515 PolarHBondContact O-N 2.99Å; K513-L516 WeakPolarHBondContact O-CB 3.39Å; K513-L516 PolarHBondContact O-N 3.19Å; K513-I657 VanDerWaalsContact C-CD1 3.44Å; K513-I657 HydrophobicContact CB-CD1 3.84Å; K513-I657 HydrophobicContact CB-CG1 4.13Å; K513-I657 HydrophobicContact CB-CG2 3.97Å; K513-I657 HydrophobicContact CD-CG2 3.91Å; K513-I657 WeakPolarHBondContact O-CD1 3.5Å; K513-H659 PolarHBondContact NZ-NE2 3.34Å; K513-F673 HydrophobicContact CG-CD2 4.12Å
514	S	92.1	Very high	90.7	Very high	27 Å²	27	27.1 Å²	27.1	19%	0.189	18%	0.181	C	C	.	.	H	α-helix	trans	-71.1	-17.7	178.9	-37.1	0	0	0	0	112.9	G512 F517 R518 D629	G512-S514 PolarHBondContact O-N 3.2Å; S514-F517 PolarHBondContact O-N 3.32Å; S514-R518 WeakPolarHBondContact O-CG 3.42Å; S514-R518 PolarHBondContact O-N 2.93Å; S514-D629 WeakPolarHBondContact CB-OD1 3.45Å; S514-D629 WeakPolarHBondContact CB-OD2 3.48Å; S514-D629 PolarHBondContact OG-OD1 2.93Å; S514-D629 PolarHBondContact OG-OD2 2.94Å
515	S	92.6	Very high	90.4	Very high	13 Å²	13	28 Å²	28	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-71.1	-36.6	172.5	-57.6	0	0	0	0	111.9	G512 K513 F517 R518 I519 W524	G512-S515 CarbonylContact O-C 3.38Å; G512-S515 WeakPolarHBondContact O-CA 3.31Å; G512-S515 VanDerWaalsContact O-CB 3.24Å; G512-S515 WeakPolarHBondContact O-CB 3.38Å; G512-S515 PolarHBondContact O-N 2.98Å; K513-S515 PolarHBondContact O-N 2.99Å; S515-F517 VanDerWaalsContact C-N 3.32Å; S515-F517 PolarHBondContact O-N 2.91Å; S515-R518 PolarHBondContact O-N 3.29Å; S515-I519 WeakPolarHBondContact O-CG1 3.31Å; S515-I519 PolarHBondContact O-N 3.41Å; S515-I519 VanDerWaalsContact O-N 3.08Å; S515-W524 VanDerWaalsContact CB-CZ3 3.42Å; S515-W524 WeakPolarHBondContact OG-CH2 3.43Å; S515-W524 WeakPolarHBondContact OG-CZ3 3.31Å
516	L	93.4	Very high	90	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-45	169.4	176.4	58.3	0	0	0	110.6	I481 L493 I495 I505 G512 K513 R518 I519 L520 L671 F673	I481-L516 HydrophobicContact CD1-CB 4.01Å; L493-L516 HydrophobicContact CD2-CD1 3.61Å; L493-L516 HydrophobicContact CD2-CD2 3.94Å; L493-L516 HydrophobicContact CD2-CG 4.4Å; I495-L516 HydrophobicContact CD1-CD2 4.38Å; I505-L516 HydrophobicContact CD1-CD2 4.39Å; G512-L516 PolarHBondContact O-N 2.57Å; K513-L516 WeakPolarHBondContact O-CB 3.39Å; K513-L516 PolarHBondContact O-N 3.19Å; L516-R518 VanDerWaalsContact C-N 3.32Å; L516-R518 PolarHBondContact O-N 2.77Å; L516-I519 WeakPolarHBondContact O-CB 3.46Å; L516-I519 PolarHBondContact O-N 3.01Å; L516-I519 VanDerWaalsContact O-N 3.1Å; L516-L520 HydrophobicContact CD1-CD1 4.38Å; L516-L520 HydrophobicContact CD1-CG 4.16Å; L516-L520 HydrophobicContact CG-CD1 4.23Å; L516-L520 HydrophobicContact CG-CG 4.4Å; L516-L520 WeakPolarHBondContact O-CG 3.4Å; L516-L520 PolarHBondContact O-N 2.88Å; L516-L671 HydrophobicContact CD2-CD2 3.86Å; L516-F673 HydrophobicContact CD2-CZ 4.25Å
517	F	94.1	Very high	89.8	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-32.5	176.9	-75.4	2.7	0	0	0	113.3	I505 S514 S515 I519 L520 G521 Y541 L627 D629 L655 I657	I505-F517 HydrophobicContact CD1-CD1 4.41Å; I505-F517 HydrophobicContact CD1-CE1 3.42Å; I505-F517 VanDerWaalsContact CD1-CE1 3.42Å; I505-F517 HydrophobicContact CD1-CZ 3.74Å; S514-F517 PolarHBondContact O-N 3.32Å; S515-F517 VanDerWaalsContact C-N 3.32Å; S515-F517 PolarHBondContact O-N 2.91Å; F517-I519 VanDerWaalsContact C-N 3.33Å; F517-L520 HydrophobicContact CD1-CD1 4.21Å; F517-L520 PolarHBondContact O-N 2.97Å; F517-G521 PolarHBondContact O-N 3.46Å; F517-Y541 HydrophobicContact CB-CD2 4.45Å; F517-Y541 HydrophobicContact CB-CE2 3.9Å; F517-Y541 HydrophobicContact CD2-CD2 4.48Å; F517-Y541 HydrophobicContact CD2-CE2 4.04Å; F517-Y541 HydrophobicContact CG-CE2 4.43Å; F517-L627 HydrophobicContact CD1-CD2 3.67Å; F517-L627 HydrophobicContact CD2-CB 4.19Å; F517-L627 HydrophobicContact CE1-CD2 3.56Å; F517-L627 HydrophobicContact CE2-CB 4.22Å; F517-L627 HydrophobicContact CG-CB 4.42Å; F517-L627 HydrophobicContact CG-CD2 4.2Å; F517-L627 HydrophobicContact CZ-CB 4.45Å; F517-L627 HydrophobicContact CZ-CD2 4.04Å; F517-D629 HydrophobicContact CD2-CB 4.12Å; F517-L655 HydrophobicContact CE1-CB 4.27Å; F517-L655 HydrophobicContact CZ-CB 4.1Å; F517-L655 VanDerWaalsContact CZ-O 3.28Å; F517-L655 WeakPolarHBondContact CZ-O 3.14Å; F517-I657 HydrophobicContact CD1-CD1 4.34Å; F517-I657 HydrophobicContact CD2-CD1 3.42Å; F517-I657 VanDerWaalsContact CD2-CD1 3.42Å; F517-I657 HydrophobicContact CD2-CG1 4.18Å; F517-I657 HydrophobicContact CE1-CD1 4.35Å; F517-I657 HydrophobicContact CE1-CG1 4.47Å; F517-I657 HydrophobicContact CE2-CB 4.45Å; F517-I657 HydrophobicContact CE2-CD1 3.41Å; F517-I657 VanDerWaalsContact CE2-CD1 3.41Å; F517-I657 HydrophobicContact CE2-CG1 3.62Å; F517-I657 HydrophobicContact CG-CD1 3.92Å; F517-I657 HydrophobicContact CZ-CD1 3.91Å; F517-I657 HydrophobicContact CZ-CG1 3.8Å
518	R	92.6	Very high	89.6	Confident	73 Å²	73	27.9 Å²	27.9	28%	0.275	19%	0.185	S	C	.	.	H	α-helix	trans	-66.4	-32.8	171	-68.4	167.8	-163.4	141.6	3.6	112.9	S514 S515 L516 G522 L523 W524	S514-R518 WeakPolarHBondContact O-CG 3.42Å; S514-R518 PolarHBondContact O-N 2.93Å; S515-R518 PolarHBondContact O-N 3.29Å; L516-R518 VanDerWaalsContact C-N 3.32Å; L516-R518 PolarHBondContact O-N 2.77Å; R518-G522 PolarHBondContact O-N 3.08Å; R518-L523 HydrophobicContact CB-CB 4.22Å; R518-L523 HydrophobicContact CG-CD1 4.2Å; R518-L523 WeakPolarHBondContact O-CB 3.26Å; R518-L523 PolarHBondContact O-N 3.43Å; R518-W524 HydrophobicContact CB-CB 4.28Å; R518-W524 HydrophobicContact CB-CD2 3.94Å; R518-W524 HydrophobicContact CB-CG 3.79Å; R518-W524 VanDerWaalsContact CD-CE2 3.46Å; R518-W524 PolarHBondContact O-N 3.08Å
519	I	92.3	Very high	89.7	Confident	6 Å²	6	26.4 Å²	26.4	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-71.9	-49.8	173.3	-65.9	164.4	0	0	0	110.2	I481 S515 L516 F517 G521 G522 W524 T526 L531	I481-I519 HydrophobicContact CB-CD1 4.39Å; I481-I519 HydrophobicContact CG1-CD1 4.11Å; I481-I519 HydrophobicContact CG2-CD1 4.23Å; S515-I519 WeakPolarHBondContact O-CG1 3.31Å; S515-I519 PolarHBondContact O-N 3.41Å; S515-I519 VanDerWaalsContact O-N 3.08Å; L516-I519 WeakPolarHBondContact O-CB 3.46Å; L516-I519 PolarHBondContact O-N 3.01Å; L516-I519 VanDerWaalsContact O-N 3.1Å; F517-I519 VanDerWaalsContact C-N 3.33Å; I519-G521 VanDerWaalsContact C-N 3.29Å; I519-G521 PolarHBondContact O-N 3.37Å; I519-G522 PolarHBondContact O-N 2.96Å; I519-W524 HydrophobicContact CG1-CB 3.92Å; I519-T526 HydrophobicContact CG2-CG2 3.98Å; I519-L531 HydrophobicContact CG2-CD2 4.17Å
520	L	91.9	Very high	90	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-36.8	178.5	-65	-178.2	0	0	0	112.6	I474 L516 F517 G522 L531 K533 L627 L655	I474-L520 HydrophobicContact CG2-CD2 3.71Å; L516-L520 HydrophobicContact CD1-CD1 4.38Å; L516-L520 HydrophobicContact CD1-CG 4.16Å; L516-L520 HydrophobicContact CG-CD1 4.23Å; L516-L520 HydrophobicContact CG-CG 4.4Å; L516-L520 WeakPolarHBondContact O-CG 3.4Å; L516-L520 PolarHBondContact O-N 2.88Å; F517-L520 HydrophobicContact CD1-CD1 4.21Å; F517-L520 PolarHBondContact O-N 2.97Å; L520-G522 VanDerWaalsContact C-N 3.3Å; L520-G522 PolarHBondContact O-N 3.48Å; L520-L531 HydrophobicContact CD2-CD1 3.66Å; L520-L531 HydrophobicContact CD2-CD2 4.39Å; L520-K533 WeakPolarHBondContact O-CD 3.21Å; L520-L627 HydrophobicContact CB-CD1 4.27Å; L520-L627 HydrophobicContact CB-CD2 4.49Å; L520-L627 HydrophobicContact CD1-CD2 3.87Å; L520-L655 HydrophobicContact CD1-CD2 4.39Å
521	G	88.9	Confident	90.6	Very high	34 Å²	34	17.7 Å²	17.7	35%	0.351	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1.5	174.6	0	0	0	0	0	115.5	F517 I519 L523	F517-G521 PolarHBondContact O-N 3.46Å; I519-G521 VanDerWaalsContact C-N 3.29Å; I519-G521 PolarHBondContact O-N 3.37Å; G521-L523 PolarHBondContact O-N 3.24Å
522	G	88.4	Confident	90.9	Very high	28 Å²	28	20.5 Å²	20.5	29%	0.289	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	5.4	177.6	0	0	0	0	0	116.3	Q178 R182 R518 I519 L520	Q178-G522 PolarHBondContact OE1-O 3.13Å; R182-G522 PolarHBondContact NH2-O 2.85Å; R518-G522 PolarHBondContact O-N 3.08Å; I519-G522 PolarHBondContact O-N 2.96Å; L520-G522 VanDerWaalsContact C-N 3.3Å; L520-G522 PolarHBondContact O-N 3.48Å
523	L	89.2	Confident	91.2	Very high	33 Å²	33	21.1 Å²	21.1	17%	0.173	13%	0.129	C	C	.	.	S	Bend	trans	-68.3	-40.6	175.9	-67.8	171.2	0	0	0	111.3	Y181 R518 G521	Y181-L523 HydrophobicContact CD1-CB 4.25Å; Y181-L523 HydrophobicContact CD1-CD2 3.86Å; Y181-L523 HydrophobicContact CD2-CD2 4.48Å; Y181-L523 HydrophobicContact CE1-CB 3.84Å; Y181-L523 HydrophobicContact CE1-CD2 4.19Å; Y181-L523 HydrophobicContact CE1-CG 4.48Å; Y181-L523 HydrophobicContact CG-CD2 4.04Å; R518-L523 HydrophobicContact CB-CB 4.22Å; R518-L523 HydrophobicContact CG-CD1 4.2Å; R518-L523 WeakPolarHBondContact O-CB 3.26Å; R518-L523 PolarHBondContact O-N 3.43Å; G521-L523 PolarHBondContact O-N 3.24Å
524	W	89.9	Confident	91.2	Very high	17 Å²	17	20.7 Å²	20.7	6%	0.064	13%	0.127	C	C	.	.	S	Bend	trans	-108.9	136.2	174.8	-69.3	9.2	0	0	0	109.9	Y181 P484 S515 R518 I519	Y181-W524 PolarHBondContact OH-NE1 2.97Å; P484-W524 VanDerWaalsContact CD-CH2 3.43Å; P484-W524 HydrophobicContact CG-CD2 4.43Å; P484-W524 HydrophobicContact CG-CH2 4.32Å; P484-W524 HydrophobicContact CG-CZ2 3.78Å; S515-W524 VanDerWaalsContact CB-CZ3 3.42Å; S515-W524 WeakPolarHBondContact OG-CH2 3.43Å; S515-W524 WeakPolarHBondContact OG-CZ3 3.31Å; R518-W524 HydrophobicContact CB-CB 4.28Å; R518-W524 HydrophobicContact CB-CD2 3.94Å; R518-W524 HydrophobicContact CB-CG 3.79Å; R518-W524 VanDerWaalsContact CD-CE2 3.46Å; R518-W524 PolarHBondContact O-N 3.08Å; I519-W524 HydrophobicContact CG1-CB 3.92Å
525	P	88.4	Confident	91.1	Very high	22 Å²	22	21.1 Å²	21.1	14%	0.143	13%	0.129	C	C	.	.			trans	-78.7	153.4	-179	33.5	-36.5	0	0	0	112.3	M186 F434 I463 Y527	M186-P525 VanDerWaalsContact CE-CD 3.42Å; M186-P525 HydrophobicContact CE-CG 3.95Å; F434-P525 HydrophobicContact CE2-CG 4.23Å; I463-P525 HydrophobicContact CD1-CB 3.61Å; I463-P525 HydrophobicContact CD1-CG 3.76Å; I463-P525 HydrophobicContact CG1-CB 3.91Å; I463-P525 HydrophobicContact CG1-CG 3.98Å; I463-P525 HydrophobicContact CG2-CB 4.25Å; P525-Y527 HydrophobicContact CG-CE1 3.88Å; P525-Y527 HydrophobicContact CG-CE2 4.33Å; P525-Y527 PolarHBondContact O-N 3.28Å
526	T	88.1	Confident	90.8	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.043	15%	0.151	C	C	.	.			trans	-75.4	102.3	172.4	44.6	0	0	0	0	110.9	I463 G465 V467 I479 I519 G528 L531	I463-T526 WeakPolarHBondContact CG2-O 3.45Å; G465-T526 WeakPolarHBondContact CA-O 3.37Å; G465-T526 PolarHBondContact N-O 3.2Å; G465-T526 PolarHBondContact O-OG1 2.67Å; V467-T526 HydrophobicContact CG2-CG2 4Å; V467-T526 WeakPolarHBondContact CG2-OG1 3.46Å; I479-T526 HydrophobicContact CD1-CG2 4.49Å; I519-T526 HydrophobicContact CG2-CG2 3.98Å; T526-G528 VanDerWaalsContact C-N 3.28Å; T526-G528 PolarHBondContact O-N 3.26Å; T526-L531 HydrophobicContact CG2-CB 3.92Å; T526-L531 HydrophobicContact CG2-CD2 4.12Å
527	Y	85.9	Confident	90.4	Very high	15 Å²	15	32.2 Å²	32.2	6%	0.059	19%	0.187	C	C	.	.	S	Bend	trans	-70.1	-23.8	179.8	-63.6	-69.7	0	0	0	113.8	M186 L461 I463 R464 G465 I482 P525	M186-Y527 WeakPolarHBondContact CE-OH 3.41Å; L461-Y527 HydrophobicContact CB-CD1 4Å; L461-Y527 HydrophobicContact CB-CE1 3.66Å; L461-Y527 HydrophobicContact CD1-CE1 4.05Å; L461-Y527 HydrophobicContact CD1-CE2 4.43Å; L461-Y527 HydrophobicContact CD2-CD1 4.31Å; L461-Y527 HydrophobicContact CD2-CE1 4.46Å; L461-Y527 HydrophobicContact CG-CE1 4.28Å; I463-Y527 HydrophobicContact CG1-CD1 4.03Å; I463-Y527 HydrophobicContact CG1-CE1 4.01Å; R464-Y527 WeakPolarHBondContact CB-O 3.42Å; R464-Y527 PolarHBondContact N-O 3.05Å; G465-Y527 PolarHBondContact N-O 3.02Å; I482-Y527 HydrophobicContact CB-CD2 3.77Å; I482-Y527 HydrophobicContact CB-CE2 4.06Å; I482-Y527 HydrophobicContact CD1-CD2 4.01Å; I482-Y527 HydrophobicContact CD1-CG 4.14Å; I482-Y527 HydrophobicContact CG1-CD2 4.04Å; P525-Y527 HydrophobicContact CG-CE1 3.88Å; P525-Y527 HydrophobicContact CG-CE2 4.33Å; P525-Y527 PolarHBondContact O-N 3.28Å
528	G	87.4	Confident	90.2	Very high	12 Å²	12	35.8 Å²	35.8	12%	0.124	20%	0.2	C	C	.	.	S	Bend	trans	-154.7	179.3	173	0	0	0	0	0	111	G465 P480 T526	G465-G528 VanDerWaalsContact CA-C 3.48Å; P480-G528 WeakPolarHBondContact CD-O 3.4Å; T526-G528 VanDerWaalsContact C-N 3.28Å; T526-G528 PolarHBondContact O-N 3.26Å
529	G	90.9	Very high	90.2	Very high	28 Å²	28	33.4 Å²	33.4	29%	0.289	19%	0.193	S	C	.	.	S	Bend	trans	73.5	-168.6	-179.5	0	0	0	0	0	114.5	G465 Q466 E477 N478	G465-G529 CarbonylContact C-O 3.53Å; G465-G529 WeakPolarHBondContact CA-O 3.26Å; Q466-G529 PolarHBondContact N-O 2.78Å; E477-G529 CarbonylContact O-C 3.54Å; E477-G529 WeakPolarHBondContact O-CA 3.21Å; N478-G529 WeakPolarHBondContact O-CA 3.2Å
530	V	94	Very high	90.3	Very high	29 Å²	29	34.7 Å²	34.7	18%	0.176	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.7	171.8	-170.7	0	0	0	0	109.2	Q466 V468 E477 Y532	Q466-V530 HydrophobicContact CB-CG1 4.37Å; Q466-V530 CarbonylContact O-C 3.55Å; Q466-V530 WeakPolarHBondContact O-CA 3.37Å; V468-V530 HydrophobicContact CG2-CG1 4.05Å; E477-V530 HydrophobicContact CB-CB 4.36Å; E477-V530 PolarHBondContact N-O 3.07Å; E477-V530 PolarHBondContact O-N 3.22Å; V530-Y532 HydrophobicContact CB-CE2 3.93Å; V530-Y532 HydrophobicContact CG1-CD2 4.07Å; V530-Y532 HydrophobicContact CG1-CE1 4.18Å; V530-Y532 HydrophobicContact CG1-CE2 3.49Å; V530-Y532 VanDerWaalsContact CG1-CE2 3.49Å
531	L	94.9	Very high	90.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.3	173.2	177.4	58.1	0	0	0	109.8	Q466 V467 V468 I479 I519 L520 T526 K533	Q466-L531 PolarHBondContact O-N 3.43Å; V467-L531 CarbonylContact C-O 3.49Å; V467-L531 WeakPolarHBondContact CA-O 3.44Å; V467-L531 HydrophobicContact CG1-CD2 4.38Å; V467-L531 HydrophobicContact CG1-CG 4.48Å; V467-L531 HydrophobicContact CG2-CB 4.37Å; V467-L531 HydrophobicContact CG2-CD2 4.49Å; V468-L531 PolarHBondContact N-O 3.28Å; I479-L531 HydrophobicContact CD1-CB 3.63Å; I479-L531 HydrophobicContact CD1-CD1 3.84Å; I479-L531 HydrophobicContact CD1-CG 4.23Å; I519-L531 HydrophobicContact CG2-CD2 4.17Å; L520-L531 HydrophobicContact CD2-CD1 3.66Å; L520-L531 HydrophobicContact CD2-CD2 4.39Å; T526-L531 HydrophobicContact CG2-CB 3.92Å; T526-L531 HydrophobicContact CG2-CD2 4.12Å; L531-K533 HydrophobicContact CD1-CB 4.36Å; L531-K533 HydrophobicContact CD2-CD 4.3Å; L531-K533 HydrophobicContact CD2-CG 4.35Å; L531-K533 HydrophobicContact CG-CB 4.31Å; L531-K533 HydrophobicContact CG-CG 4.18Å
532	Y	94.3	Very high	90.7	Very high	66 Å²	66	36.3 Å²	36.3	26%	0.259	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.5	165.4	-50.6	-98.4	0	0	0	107.7	V468 V470 I474 I475 E477 V530	V468-Y532 HydrophobicContact CB-CD1 3.74Å; V468-Y532 HydrophobicContact CB-CE1 4.13Å; V468-Y532 HydrophobicContact CB-CG 4.47Å; V468-Y532 HydrophobicContact CG1-CD1 3.93Å; V468-Y532 HydrophobicContact CG1-CE1 4.26Å; V468-Y532 HydrophobicContact CG2-CD1 4.23Å; V468-Y532 HydrophobicContact CG2-CE1 4.12Å; V468-Y532 WeakPolarHBondContact O-CA 3.37Å; V470-Y532 HydrophobicContact CG1-CD1 4Å; I474-Y532 CarbonylContact C-O 3.43Å; I474-Y532 WeakPolarHBondContact CA-O 3.4Å; I475-Y532 HydrophobicContact CB-CD2 3.92Å; I475-Y532 HydrophobicContact CB-CG 4.39Å; I475-Y532 HydrophobicContact CG2-CD2 4.34Å; I475-Y532 PolarHBondContact N-O 3.46Å; I475-Y532 PolarHBondContact O-N 2.9Å; E477-Y532 HydrophobicContact CG-CE2 4.01Å; E477-Y532 WeakPolarHBondContact OE2-CE2 3.4Å; E477-Y532 PolarHBondContact OE2-OH 2.81Å; V530-Y532 HydrophobicContact CB-CE2 3.93Å; V530-Y532 HydrophobicContact CG1-CD2 4.07Å; V530-Y532 HydrophobicContact CG1-CE1 4.18Å; V530-Y532 HydrophobicContact CG1-CE2 3.49Å; V530-Y532 VanDerWaalsContact CG1-CE2 3.49Å
533	K	92.9	Very high	90.9	Very high	17 Å²	17	36.9 Å²	36.9	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	161.8	178.4	61.7	152.4	-160.5	61.2	0	111.9	V467 V468 D469 V470 L520 L531 M539	V467-K533 HydrophobicContact CG1-CD 4.5Å; V467-K533 HydrophobicContact CG1-CG 4.24Å; V468-K533 PolarHBondContact O-N 3.05Å; V468-K533 VanDerWaalsContact O-N 3.09Å; D469-K533 CarbonylContact C-O 3.59Å; D469-K533 WeakPolarHBondContact CA-O 3.31Å; D469-K533 IonicContact OD1-NZ 3.11Å; D469-K533 PolarHBondContact OD1-NZ 3.34Å; V470-K533 WeakPolarHBondContact CG2-O 3.29Å; V470-K533 PolarHBondContact N-O 2.96Å; L520-K533 WeakPolarHBondContact O-CD 3.21Å; L531-K533 HydrophobicContact CD1-CB 4.36Å; L531-K533 HydrophobicContact CD2-CD 4.3Å; L531-K533 HydrophobicContact CD2-CG 4.35Å; L531-K533 HydrophobicContact CG-CB 4.31Å; L531-K533 HydrophobicContact CG-CG 4.18Å; K533-M539 HydrophobicContact CD-SD 4.38Å
534	P	91.8	Very high	90.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.203	C	C	.	.			trans	-62.5	155.5	172	-21.4	33.2	0	0	0	113.1	V470 G473 I474 R538 M539 Y625	V470-P534 WeakPolarHBondContact O-CA 3.29Å; G473-P534 WeakPolarHBondContact O-CD 3.45Å; I474-P534 HydrophobicContact CG1-CG 4.33Å; P534-R538 HydrophobicContact CB-CB 4.01Å; P534-M539 HydrophobicContact CB-CG 3.88Å; P534-M539 HydrophobicContact CB-SD 4.07Å; P534-M539 HydrophobicContact CG-CG 4.2Å; P534-M539 HydrophobicContact CG-SD 4.21Å; P534-Y625 HydrophobicContact CB-CD2 4.49Å; P534-Y625 HydrophobicContact CG-CD2 3.6Å; P534-Y625 HydrophobicContact CG-CE2 3.65Å
535	P	90	Very high	90.9	Very high	35 Å²	35	48.7 Å²	48.7	23%	0.227	24%	0.239	C	C	.	.			trans	-61.6	148.2	168.4	28	-36	0	0	0	110	V470 Q537 R538	V470-P535 VanDerWaalsContact O-CD 3.25Å; V470-P535 WeakPolarHBondContact O-CD 3.33Å; P535-Q537 PolarHBondContact O-N 3.3Å; P535-R538 HydrophobicContact CG-CG 4.32Å; P535-R538 PolarHBondContact O-N 2.94Å
536	P	86.3	Confident	90.9	Very high	84 Å²	84	48.7 Å²	48.7	55%	0.545	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-54.3	-29.8	-169.7	-28.9	36.3	0	0	0	115.3	R538 M539	P536-R538 PolarHBondContact O-N 3.49Å; P536-M539 PolarHBondContact O-N 3.45Å; P536-M539 VanDerWaalsContact O-N 3.11Å
537	Q	86.6	Confident	91.1	Very high	164 Å²	164	54.4 Å²	54.4	77%	0.766	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-67.5	-18.2	179.2	-58.6	81	-1.6	0	0	113.7	P535	P535-Q537 PolarHBondContact O-N 3.3Å
538	R	90.3	Very high	91.5	Very high	76 Å²	76	54.7 Å²	54.7	29%	0.287	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-93.5	0.5	174.4	-70	-173.7	179.2	178.4	7.9	112.9	E471 P534 P535 P536 K624 Y625	E471-R538 PolarHBondContact O-NH1 3.09Å; E471-R538 IonicContact OE2-CZ 3.27Å; E471-R538 IonicContact OE2-NH1 3.15Å; E471-R538 PolarHBondContact OE2-NH1 3.18Å; E471-R538 IonicContact OE2-NH2 2.7Å; E471-R538 PolarHBondContact OE2-NH2 3.04Å; P534-R538 HydrophobicContact CB-CB 4.01Å; P535-R538 HydrophobicContact CG-CG 4.32Å; P535-R538 PolarHBondContact O-N 2.94Å; P536-R538 PolarHBondContact O-N 3.49Å; R538-K624 HydrophobicContact CB-CB 4.4Å; R538-K624 PolarHBondContact O-N 2.9Å; R538-Y625 PolarHBondContact O-N 3.45Å; R538-Y625 VanDerWaalsContact O-N 3.12Å
539	M	92.2	Very high	91.7	Very high	24 Å²	24	54.7 Å²	54.7	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.2	-176.7	-56.3	-178.9	73.6	0	0	110.8	I474 K533 P534 P536 Y625 L627	I474-M539 HydrophobicContact CD1-CE 3.97Å; K533-M539 HydrophobicContact CD-SD 4.38Å; P534-M539 HydrophobicContact CB-CG 3.88Å; P534-M539 HydrophobicContact CB-SD 4.07Å; P534-M539 HydrophobicContact CG-CG 4.2Å; P534-M539 HydrophobicContact CG-SD 4.21Å; P536-M539 PolarHBondContact O-N 3.45Å; P536-M539 VanDerWaalsContact O-N 3.11Å; M539-Y625 CarbonylContact C-O 3.6Å; M539-Y625 VanDerWaalsContact CA-O 3.31Å; M539-Y625 WeakPolarHBondContact CA-O 3.26Å; M539-L627 HydrophobicContact CE-CD1 3.88Å; M539-L627 HydrophobicContact CE-CG 4.44Å
540	F	94.3	Very high	91.7	Very high	33 Å²	33	60.2 Å²	60.2	15%	0.145	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.7	169	-158.3	-104	0	0	0	110.5	I542 R617 M618 H621 P623 Y625 L627	F540-I542 HydrophobicContact CD1-CG1 3.96Å; F540-I542 HydrophobicContact CE1-CG1 4.06Å; F540-R617 HydrophobicContact CE1-CB 3.8Å; F540-R617 HydrophobicContact CZ-CB 3.58Å; F540-M618 HydrophobicContact CD1-CB 3.98Å; F540-M618 HydrophobicContact CE1-CB 4.41Å; F540-H621 HydrophobicContact CD2-CB 4.16Å; F540-H621 HydrophobicContact CE2-CB 4.37Å; F540-H621 AromaticContact CE2-CD2 3.34Å; F540-H621 WeakPolarHBondContact CE2-CD2 3.36Å; F540-H621 AromaticContact CE2-CG 3.98Å; F540-H621 AromaticContact CZ-CD2 3.87Å; F540-P623 HydrophobicContact CB-CB 3.84Å; F540-P623 HydrophobicContact CB-CG 3.64Å; F540-Y625 PolarHBondContact N-O 2.94Å; F540-L627 PolarHBondContact O-N 3.3Å
541	Y	94.1	Very high	91.6	Very high	68 Å²	68	59.8 Å²	59.8	27%	0.267	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.6	-178.1	172.5	-110.6	0	0	0	110.4	F517 P543 L627 D629	F517-Y541 HydrophobicContact CB-CD2 4.45Å; F517-Y541 HydrophobicContact CB-CE2 3.9Å; F517-Y541 HydrophobicContact CD2-CD2 4.48Å; F517-Y541 HydrophobicContact CD2-CE2 4.04Å; F517-Y541 HydrophobicContact CG-CE2 4.43Å; Y541-P543 HydrophobicContact CE1-CB 3.73Å; Y541-P543 HydrophobicContact CE1-CG 4.29Å; Y541-L627 WeakPolarHBondContact CA-O 3.23Å; Y541-L627 HydrophobicContact CD2-CB 3.78Å; Y541-L627 HydrophobicContact CD2-CD1 4.47Å; Y541-D629 HydrophobicContact CE2-CB 4.12Å; Y541-D629 PolarHBondContact OH-OD2 3.44Å
542	I	94.6	Very high	91.6	Very high	3 Å²	3	60 Å²	60	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	109.6	173.3	-52.9	-177.1	0	0	0	108.1	F540 G614 M615 M618 L627 L628 D629 C631	F540-I542 HydrophobicContact CD1-CG1 3.96Å; F540-I542 HydrophobicContact CE1-CG1 4.06Å; I542-G614 VanDerWaalsContact CD1-O 3.26Å; I542-G614 WeakPolarHBondContact CD1-O 3.4Å; I542-M615 HydrophobicContact CD1-SD 3.47Å; I542-M615 WeakPolarHBondContact CD1-SD 3.45Å; I542-M618 HydrophobicContact CD1-CB 4.03Å; I542-M618 HydrophobicContact CD1-SD 4.42Å; I542-L627 PolarHBondContact N-O 3.1Å; I542-L628 HydrophobicContact CB-CD2 4.15Å; I542-L628 HydrophobicContact CD1-CD2 3.62Å; I542-L628 HydrophobicContact CG1-CD2 3.97Å; I542-D629 PolarHBondContact O-N 3.04Å; I542-C631 HydrophobicContact CB-CB 4.15Å; I542-C631 HydrophobicContact CG2-CB 3.52Å
543	P	92.5	Very high	91.6	Very high	40 Å²	40	56.9 Å²	56.9	26%	0.26	28%	0.279	S	S	.	.			trans	-74.6	155.3	176.1	29.9	-34.2	0	0	0	112.2	Y541 R545	Y541-P543 HydrophobicContact CE1-CB 3.73Å; Y541-P543 HydrophobicContact CE1-CG 4.29Å; P543-R545 PolarHBondContact O-N 3.34Å
544	Q	90.3	Very high	91.6	Very high	85 Å²	85	56.7 Å²	56.7	40%	0.397	28%	0.278	S	S	.	.	S	Bend	trans	-49.4	-33.9	173.4	-174.7	-166.9	59.4	0	0	113.6	D629 E630	Q544-D629 WeakPolarHBondContact CA-O 3.43Å; Q544-D629 WeakPolarHBondContact CB-O 3.37Å; Q544-D629 PolarHBondContact N-O 3.34Å; Q544-E630 HydrophobicContact CG-CB 4.16Å; Q544-E630 PolarHBondContact NE2-OE2 3.06Å
545	R	88.1	Confident	91.8	Very high	213 Å²	213	58.7 Å²	58.7	80%	0.804	29%	0.289	S	S	*	.	S	Bend	trans	-115.6	96	172.4	-62.4	-175.1	-176.6	-160.9	-1.8	109.6	P543 Y547	P543-R545 PolarHBondContact O-N 3.34Å; R545-Y547 PolarHBondContact O-N 3.05Å
546	P	90.1	Very high	92	Very high	22 Å²	22	57 Å²	57	14%	0.143	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-62.1	130.2	178.8	-25.1	35.1	0	0	0	112.8	M548 Q611	P546-M548 HydrophobicContact CB-CE 3.72Å; P546-Q611 HydrophobicContact CG-CG 4.24Å
547	Y	92.3	Very high	92.4	Very high	127 Å²	127	53 Å²	53	50%	0.498	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-73.8	125.6	173	171	-108.9	0	0	0	110.8	R545 Y559 R617	R545-Y547 PolarHBondContact O-N 3.05Å; Y547-Y559 HydrophobicContact CD1-CE1 4.19Å; Y547-Y559 HydrophobicContact CD1-CE2 4.43Å; Y547-Y559 AromaticContact CD1-CZ 4Å; Y547-Y559 HydrophobicContact CE1-CE2 4.05Å; Y547-R617 PolarHBondContact O-NH1 3.42Å; Y547-R617 PolarHBondContact O-NH2 3.45Å
548	M	93.3	Very high	92.8	Very high	21 Å²	21	45.2 Å²	45.2	10%	0.103	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-91.8	130.6	169.1	-61.3	-61.1	113.3	0	0	109.2	P546 W601 L605 K610 I613	P546-M548 HydrophobicContact CB-CE 3.72Å; M548-W601 HydrophobicContact CB-CB 3.86Å; M548-W601 HydrophobicContact CG-CB 4.14Å; M548-L605 HydrophobicContact SD-CD1 3.83Å; M548-K610 HydrophobicContact CE-CB 3.97Å; M548-K610 HydrophobicContact CE-CG 4.13Å; M548-K610 HydrophobicContact CG-CG 4.28Å; M548-K610 HydrophobicContact SD-CG 4.23Å; M548-I613 HydrophobicContact CE-CB 4.41Å; M548-I613 HydrophobicContact CE-CG2 4.07Å; M548-I613 HydrophobicContact SD-CG2 4.17Å
549	S	91.7	Very high	93.1	Very high	11 Å²	11	46.2 Å²	46.2	8%	0.077	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-79.5	149.7	-179.3	28.6	0	0	0	0	111.2	G551 D555 Q556	S549-G551 PolarHBondContact O-N 2.92Å; S549-D555 PolarHBondContact OG-O 2.88Å; S549-Q556 PolarHBondContact O-NE2 3.33Å; S549-Q556 PolarHBondContact O-OE1 2.92Å; S549-Q556 PolarHBondContact OG-NE2 3.32Å; S549-Q556 VanDerWaalsContact OG-NE2 3.11Å; S549-Q556 PolarHBondContact OG-OE1 3.29Å; S549-Q556 VanDerWaalsContact OG-OE1 3.09Å
550	V	91.2	Very high	93.1	Very high	145 Å²	145	49.1 Å²	49.1	88%	0.879	24%	0.24	S	C	*	.	S	Bend	trans	-75.9	120.4	166.2	-179.8	0	0	0	0	107.8
551	G	91.9	Very high	93.1	Very high	20 Å²	20	49 Å²	49	21%	0.206	24%	0.241	C	C	.	.	S	Bend	trans	152.7	-159.6	-176.9	0	0	0	0	0	112.8	S549 W601	S549-G551 PolarHBondContact O-N 2.92Å; G551-W601 PolarHBondContact O-NE1 3.41Å
552	S	94.4	Very high	93.1	Very high	5 Å²	5	48 Å²	48	4%	0.035	24%	0.244	C	C	.	.			trans	-72.7	173.8	179.8	68.5	0	0	0	0	113.3	R554 D555 Q556 W595 A597	S552-R554 VanDerWaalsContact C-N 3.28Å; S552-R554 WeakPolarHBondContact OG-CB 3.4Å; S552-R554 PolarHBondContact OG-N 2.78Å; S552-D555 VanDerWaalsContact CB-OD2 3.32Å; S552-D555 WeakPolarHBondContact CB-OD2 3.45Å; S552-D555 PolarHBondContact N-OD2 3.17Å; S552-D555 PolarHBondContact O-N 2.91Å; S552-D555 PolarHBondContact OG-N 3.39Å; S552-D555 PolarHBondContact OG-OD2 2.77Å; S552-Q556 WeakPolarHBondContact O-CG 3.49Å; S552-Q556 PolarHBondContact O-N 3.14Å; S552-Q556 PolarHBondContact O-NE2 3.33Å; S552-Q556 VanDerWaalsContact O-NE2 3.11Å; S552-W595 WeakPolarHBondContact CB-O 3.34Å; S552-A597 CarbonylContact C-O 3.57Å; S552-A597 WeakPolarHBondContact CA-O 3.28Å
553	L	93.9	Very high	93	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-36	167.1	-178.6	57.1	0	0	0	111.1	D555 Q556 I588 L589 W595 A597 W601	L553-D555 VanDerWaalsContact C-N 3.34Å; L553-D555 PolarHBondContact O-N 3Å; L553-Q556 WeakPolarHBondContact O-CB 3.41Å; L553-Q556 PolarHBondContact O-N 3.04Å; L553-Q556 VanDerWaalsContact O-N 3.11Å; L553-I588 HydrophobicContact CD1-CG2 4.11Å; L553-I588 HydrophobicContact CD2-CG2 4.09Å; L553-L589 HydrophobicContact CD2-CD1 4.12Å; L553-W595 HydrophobicContact CG-CE3 4.2Å; L553-W595 HydrophobicContact CG-CZ3 4.28Å; L553-W595 PolarHBondContact N-O 3.12Å; L553-A597 PolarHBondContact N-O 3.42Å; L553-A597 VanDerWaalsContact N-O 3.13Å; L553-W601 HydrophobicContact CB-CH2 3.78Å; L553-W601 HydrophobicContact CB-CZ2 3.68Å; L553-W601 HydrophobicContact CD1-CH2 3.9Å; L553-W601 HydrophobicContact CD1-CZ2 4.3Å; L553-W601 HydrophobicContact CD1-CZ3 4.06Å; L553-W601 HydrophobicContact CG-CH2 4.26Å
554	R	94.9	Very high	93	Very high	12 Å²	12	53.4 Å²	53.4	5%	0.045	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-45	175.2	-160.3	-168	-63.3	104.5	-9.8	111.2	S552 Q556 V557 I558 M566 E573 L576 W595 E596	S552-R554 VanDerWaalsContact C-N 3.28Å; S552-R554 WeakPolarHBondContact OG-CB 3.4Å; S552-R554 PolarHBondContact OG-N 2.78Å; R554-Q556 PolarHBondContact O-N 3.09Å; R554-V557 PolarHBondContact O-N 2.99Å; R554-I558 PolarHBondContact O-N 3.03Å; R554-I558 VanDerWaalsContact O-N 3.14Å; R554-M566 HydrophobicContact CG-SD 4.36Å; R554-E573 IonicContact CZ-OE1 3.96Å; R554-E573 IonicContact NE-OE1 3.73Å; R554-E573 PolarHBondContact NE-OE1 3Å; R554-E573 VanDerWaalsContact NE-OE1 3.15Å; R554-E573 IonicContact NH2-OE1 3.27Å; R554-E573 PolarHBondContact NH2-OE1 2.94Å; R554-L576 HydrophobicContact CG-CD1 3.69Å; R554-W595 HydrophobicContact CB-CB 4.42Å; R554-W595 HydrophobicContact CB-CE3 3.91Å; R554-W595 HydrophobicContact CG-CE3 4.2Å; R554-W595 PolarHBondContact N-O 3.39Å; R554-E596 IonicContact CZ-OE1 3.77Å; R554-E596 IonicContact CZ-OE2 2.6Å; R554-E596 IonicContact NH1-OE1 2.66Å; R554-E596 PolarHBondContact NH1-OE1 3.49Å; R554-E596 IonicContact NH1-OE2 2.74Å; R554-E596 PolarHBondContact NH1-OE2 3.42Å; R554-E596 IonicContact NH2-OE1 3.42Å; R554-E596 PolarHBondContact NH2-OE1 3.49Å; R554-E596 IonicContact NH2-OE2 2.72Å
555	D	94.8	Very high	93.2	Very high	44 Å²	44	52 Å²	52	24%	0.235	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-28.9	177.1	-60.5	-51.2	0	0	0	112.1	S549 S552 L553 V557 Y559	S549-D555 PolarHBondContact OG-O 2.88Å; S552-D555 VanDerWaalsContact CB-OD2 3.32Å; S552-D555 WeakPolarHBondContact CB-OD2 3.45Å; S552-D555 PolarHBondContact N-OD2 3.17Å; S552-D555 PolarHBondContact O-N 2.91Å; S552-D555 PolarHBondContact OG-N 3.39Å; S552-D555 PolarHBondContact OG-OD2 2.77Å; L553-D555 VanDerWaalsContact C-N 3.34Å; L553-D555 PolarHBondContact O-N 3Å; D555-V557 VanDerWaalsContact C-N 3.3Å; D555-V557 PolarHBondContact O-N 2.81Å; D555-Y559 WeakPolarHBondContact O-CB 3.5Å; D555-Y559 PolarHBondContact O-N 2.85Å
556	Q	94.8	Very high	93.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-29.2	174.3	-54.8	-43.6	-59.6	0	0	113.3	S549 S552 L553 R554 W601 I613 R617	S549-Q556 PolarHBondContact O-NE2 3.33Å; S549-Q556 PolarHBondContact O-OE1 2.92Å; S549-Q556 PolarHBondContact OG-NE2 3.32Å; S549-Q556 VanDerWaalsContact OG-NE2 3.11Å; S549-Q556 PolarHBondContact OG-OE1 3.29Å; S549-Q556 VanDerWaalsContact OG-OE1 3.09Å; S552-Q556 WeakPolarHBondContact O-CG 3.49Å; S552-Q556 PolarHBondContact O-N 3.14Å; S552-Q556 PolarHBondContact O-NE2 3.33Å; S552-Q556 VanDerWaalsContact O-NE2 3.11Å; L553-Q556 WeakPolarHBondContact O-CB 3.41Å; L553-Q556 PolarHBondContact O-N 3.04Å; L553-Q556 VanDerWaalsContact O-N 3.11Å; R554-Q556 PolarHBondContact O-N 3.09Å; Q556-W601 VanDerWaalsContact CD-CD1 3.43Å; Q556-W601 HydrophobicContact CG-CB 4.49Å; Q556-W601 HydrophobicContact CG-CD2 4.04Å; Q556-W601 HydrophobicContact CG-CG 3.86Å; Q556-I613 HydrophobicContact CB-CG2 4.09Å; Q556-I613 WeakPolarHBondContact O-CG2 3.42Å; Q556-R617 PolarHBondContact O-NE 3.22Å; Q556-R617 PolarHBondContact O-NH2 3.38Å; Q556-R617 VanDerWaalsContact O-NH2 3.13Å
557	V	94.9	Very high	93.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-92.3	-35.8	-176.4	-178.5	0	0	0	0	112	R554 D555 L576 I579 L580 W595 I613 A616 R617	R554-V557 PolarHBondContact O-N 2.99Å; D555-V557 VanDerWaalsContact C-N 3.3Å; D555-V557 PolarHBondContact O-N 2.81Å; V557-L576 HydrophobicContact CG1-CD2 4.07Å; V557-I579 HydrophobicContact CG1-CG2 4.42Å; V557-L580 HydrophobicContact CG2-CD2 4.07Å; V557-W595 HydrophobicContact CG2-CH2 4.26Å; V557-W595 HydrophobicContact CG2-CZ3 3.93Å; V557-I613 HydrophobicContact CG2-CD1 4.37Å; V557-A616 HydrophobicContact CG1-CB 4.2Å; V557-R617 VanDerWaalsContact O-CG 3.31Å; V557-R617 WeakPolarHBondContact O-CG 3.31Å
558	I	95.3	Very high	93.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-86.7	-17.9	-176.4	69	179.7	0	0	0	114.3	R554 D561 V563 M566 L576 Y620 H621	R554-I558 PolarHBondContact O-N 3.03Å; R554-I558 VanDerWaalsContact O-N 3.14Å; I558-D561 HydrophobicContact CB-CB 4.35Å; I558-D561 WeakPolarHBondContact O-CB 3.37Å; I558-D561 PolarHBondContact O-N 2.8Å; I558-V563 HydrophobicContact CD1-CG2 3.96Å; I558-M566 HydrophobicContact CD1-CB 4.28Å; I558-M566 HydrophobicContact CD1-SD 4.47Å; I558-M566 HydrophobicContact CG2-CB 4.42Å; I558-M566 HydrophobicContact CG2-CG 4.08Å; I558-M566 HydrophobicContact CG2-SD 3.88Å; I558-L576 HydrophobicContact CG2-CD1 4.1Å; I558-L576 HydrophobicContact CG2-CD2 4.11Å; I558-Y620 HydrophobicContact CB-CD1 4.33Å; I558-Y620 HydrophobicContact CB-CE1 3.79Å; I558-Y620 HydrophobicContact CB-CE2 4.46Å; I558-Y620 HydrophobicContact CG2-CD2 4.31Å; I558-Y620 HydrophobicContact CG2-CE1 4.11Å; I558-Y620 HydrophobicContact CG2-CE2 3.89Å; I558-Y620 WeakPolarHBondContact O-CE1 3.36Å; I558-H621 PolarHBondContact O-CE1 2.98Å; I558-H621 PolarHBondContact O-NE2 3.4Å
559	Y	95.1	Very high	93.6	Very high	97 Å²	97	55.4 Å²	55.4	38%	0.38	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	130.5	-177.7	-179	-87	0	0	0	112.9	Y547 D555 H621	Y547-Y559 HydrophobicContact CD1-CE1 4.19Å; Y547-Y559 HydrophobicContact CD1-CE2 4.43Å; Y547-Y559 AromaticContact CD1-CZ 4Å; Y547-Y559 HydrophobicContact CE1-CE2 4.05Å; D555-Y559 WeakPolarHBondContact O-CB 3.5Å; D555-Y559 PolarHBondContact O-N 2.85Å; Y559-H621 PolarHBondContact O-NE2 2.94Å; Y559-H621 VanDerWaalsContact O-NE2 3.1Å
560	P	92.7	Very high	93.6	Very high	84 Å²	84	57.8 Å²	57.8	55%	0.545	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.3	13.5	13.1	37.6	-38.6	0	0	0	116.5	H621	P560-H621 WeakPolarHBondContact CD-NE2 3.44Å
561	D	94.4	Very high	93.7	Very high	32 Å²	32	52.6 Å²	52.6	17%	0.171	27%	0.266	C	S	.	.	S	Bend	trans	-68.7	159.1	174.3	-75.1	4.1	0	0	0	112.2	I558 D565 K569 Y620 H621	I558-D561 HydrophobicContact CB-CB 4.35Å; I558-D561 WeakPolarHBondContact O-CB 3.37Å; I558-D561 PolarHBondContact O-N 2.8Å; D561-D565 HydrophobicContact CB-CB 4.04Å; D561-K569 IonicContact OD1-NZ 3.14Å; D561-K569 PolarHBondContact OD1-NZ 3.18Å; D561-K569 WeakPolarHBondContact OD2-CD 3.4Å; D561-K569 VanDerWaalsContact OD2-CE 3.28Å; D561-K569 WeakPolarHBondContact OD2-CE 3.46Å; D561-K569 IonicContact OD2-NZ 2.69Å; D561-K569 PolarHBondContact OD2-NZ 3.27Å; D561-Y620 HydrophobicContact CB-CE1 4.25Å; D561-Y620 WeakPolarHBondContact OD2-CE1 3.32Å; D561-Y620 VanDerWaalsContact OD2-CZ 3.29Å; D561-Y620 PolarHBondContact OD2-OH 3.27Å; D561-H621 IonicContact OD1-CE1 3.49Å; D561-H621 PolarHBondContact OD1-CE1 2.74Å; D561-H621 IonicContact OD2-CE1 2.91Å
562	S	93.6	Very high	93.8	Very high	47 Å²	47	53.9 Å²	53.9	33%	0.329	27%	0.272	S	S	.	.			trans	-90.7	166.6	161.2	76.7	0	0	0	0	112.2	E564 D565 M566	S562-E564 PolarHBondContact O-N 3.09Å; S562-E564 PolarHBondContact OG-N 2.97Å; S562-D565 WeakPolarHBondContact CB-OD2 3.43Å; S562-D565 PolarHBondContact N-OD2 2.83Å; S562-D565 PolarHBondContact O-N 3.02Å; S562-D565 PolarHBondContact OG-N 3.47Å; S562-D565 PolarHBondContact OG-OD2 3.42Å; S562-M566 PolarHBondContact O-N 3.31Å
563	V	92.2	Very high	93.6	Very high	37 Å²	37	57.3 Å²	57.3	22%	0.224	29%	0.287	C	S	.	.	H	α-helix	trans	-59.7	-26.2	171.9	-177.7	0	0	0	0	112.4	I558 M566 R567	I558-V563 HydrophobicContact CD1-CG2 3.96Å; V563-M566 HydrophobicContact CG1-CE 4.49Å; V563-R567 VanDerWaalsContact O-CG 3.31Å; V563-R567 WeakPolarHBondContact O-CG 3.44Å; V563-R567 PolarHBondContact O-N 2.92Å
564	E	93.4	Very high	93.6	Very high	119 Å²	119	64.7 Å²	64.7	56%	0.556	32%	0.321	S	S	*	.	H	α-helix	trans	-69	-40.7	170.6	-64.4	-171.6	-177.1	0	0	111.8	S562 R567 R568	S562-E564 PolarHBondContact O-N 3.09Å; S562-E564 PolarHBondContact OG-N 2.97Å; E564-R567 PolarHBondContact O-N 3.38Å; E564-R568 VanDerWaalsContact O-CG 3.31Å; E564-R568 WeakPolarHBondContact O-CG 3.28Å; E564-R568 PolarHBondContact O-N 3.42Å; E564-R568 IonicContact OE2-CZ 2.76Å; E564-R568 IonicContact OE2-NH1 3.15Å; E564-R568 IonicContact OE2-NH2 2.67Å; E564-R568 PolarHBondContact OE2-NH2 2.83Å
565	D	93.9	Very high	93.5	Very high	54 Å²	54	67.1 Å²	67.1	29%	0.289	34%	0.335	S	S	.	.	H	α-helix	trans	-73.2	-35.2	-177.9	-57.7	-57.6	0	0	0	112	D561 S562 R567 R568 K569	D561-D565 HydrophobicContact CB-CB 4.04Å; S562-D565 WeakPolarHBondContact CB-OD2 3.43Å; S562-D565 PolarHBondContact N-OD2 2.83Å; S562-D565 PolarHBondContact O-N 3.02Å; S562-D565 PolarHBondContact OG-N 3.47Å; S562-D565 PolarHBondContact OG-OD2 3.42Å; D565-R567 VanDerWaalsContact C-N 3.32Å; D565-R567 PolarHBondContact O-N 3.23Å; D565-R568 PolarHBondContact O-N 3.01Å; D565-R568 IonicContact OD1-CZ 3.78Å; D565-R568 IonicContact OD1-NH1 2.73Å; D565-R568 PolarHBondContact OD1-NH1 2.95Å; D565-K569 WeakPolarHBondContact O-CB 3.42Å; D565-K569 WeakPolarHBondContact O-CG 3.25Å; D565-K569 PolarHBondContact O-N 3.47Å
566	M	94	Very high	93.5	Very high	8 Å²	8	65 Å²	65	4%	0.039	32%	0.324	C	S	.	.	H	α-helix	trans	-55	-47.7	167.5	-174.9	-163.7	83.5	0	0	111.6	R554 I558 S562 V563 K569 G570 Y571 L576 Y620	R554-M566 HydrophobicContact CG-SD 4.36Å; I558-M566 HydrophobicContact CD1-CB 4.28Å; I558-M566 HydrophobicContact CD1-SD 4.47Å; I558-M566 HydrophobicContact CG2-CB 4.42Å; I558-M566 HydrophobicContact CG2-CG 4.08Å; I558-M566 HydrophobicContact CG2-SD 3.88Å; S562-M566 PolarHBondContact O-N 3.31Å; V563-M566 HydrophobicContact CG1-CE 4.49Å; M566-K569 PolarHBondContact O-N 3.1Å; M566-G570 PolarHBondContact O-N 2.89Å; M566-G570 VanDerWaalsContact O-N 3.17Å; M566-Y571 PolarHBondContact O-N 2.96Å; M566-L576 HydrophobicContact SD-CD1 3.84Å; M566-Y620 VanDerWaalsContact CA-OH 3.26Å; M566-Y620 WeakPolarHBondContact CA-OH 3.35Å; M566-Y620 WeakPolarHBondContact CB-OH 3.38Å; M566-Y620 HydrophobicContact CG-CE2 4.12Å
567	R	92.5	Very high	93.5	Very high	179 Å²	179	67.9 Å²	67.9	68%	0.675	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-37.1	176.4	-69.9	171.7	-179.4	177.2	2.1	112.2	V563 E564 D565 K569 G570	V563-R567 VanDerWaalsContact O-CG 3.31Å; V563-R567 WeakPolarHBondContact O-CG 3.44Å; V563-R567 PolarHBondContact O-N 2.92Å; E564-R567 PolarHBondContact O-N 3.38Å; D565-R567 VanDerWaalsContact C-N 3.32Å; D565-R567 PolarHBondContact O-N 3.23Å; R567-K569 VanDerWaalsContact C-N 3.35Å; R567-G570 PolarHBondContact O-N 3.26Å; R567-G570 VanDerWaalsContact O-N 3.16Å
568	R	93.6	Very high	93.5	Very high	165 Å²	165	70.2 Å²	70.2	62%	0.623	36%	0.357	S	S	*	.	H	α-helix	trans	-65.2	-34.6	173.5	-71.6	168.8	-175.3	133.1	12.2	112.7	E564 D565	E564-R568 VanDerWaalsContact O-CG 3.31Å; E564-R568 WeakPolarHBondContact O-CG 3.28Å; E564-R568 PolarHBondContact O-N 3.42Å; E564-R568 IonicContact OE2-CZ 2.76Å; E564-R568 IonicContact OE2-NH1 3.15Å; E564-R568 IonicContact OE2-NH2 2.67Å; E564-R568 PolarHBondContact OE2-NH2 2.83Å; D565-R568 PolarHBondContact O-N 3.01Å; D565-R568 IonicContact OD1-CZ 3.78Å; D565-R568 IonicContact OD1-NH1 2.73Å; D565-R568 PolarHBondContact OD1-NH1 2.95Å
569	K	92	Very high	93.5	Very high	103 Å²	103	70.5 Å²	70.5	45%	0.448	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.5	173.5	-74.4	175.4	176	175.5	0	113.3	D561 D565 M566 R567 Y571 H621	D561-K569 IonicContact OD1-NZ 3.14Å; D561-K569 PolarHBondContact OD1-NZ 3.18Å; D561-K569 WeakPolarHBondContact OD2-CD 3.4Å; D561-K569 VanDerWaalsContact OD2-CE 3.28Å; D561-K569 WeakPolarHBondContact OD2-CE 3.46Å; D561-K569 IonicContact OD2-NZ 2.69Å; D561-K569 PolarHBondContact OD2-NZ 3.27Å; D565-K569 WeakPolarHBondContact O-CB 3.42Å; D565-K569 WeakPolarHBondContact O-CG 3.25Å; D565-K569 PolarHBondContact O-N 3.47Å; M566-K569 PolarHBondContact O-N 3.1Å; R567-K569 VanDerWaalsContact C-N 3.35Å; K569-Y571 HydrophobicContact CB-CD2 3.7Å; K569-Y571 HydrophobicContact CB-CE2 4.11Å; K569-Y571 HydrophobicContact CD-CD2 4.48Å; K569-Y571 HydrophobicContact CD-CE2 4.44Å; K569-H621 PolarHBondContact NZ-ND1 3.39Å
570	G	92.3	Very high	93.5	Very high	61 Å²	61	66 Å²	66	63%	0.629	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	10.8	178.1	0	0	0	0	0	115.1	M566 R567	M566-G570 PolarHBondContact O-N 2.89Å; M566-G570 VanDerWaalsContact O-N 3.17Å; R567-G570 PolarHBondContact O-N 3.26Å; R567-G570 VanDerWaalsContact O-N 3.16Å
571	Y	93.4	Very high	93.6	Very high	37 Å²	37	65.6 Å²	65.6	15%	0.145	33%	0.334	C	S	.	.			trans	-76.6	134.4	178.5	-76.2	-74.8	0	0	0	111.9	M566 K569 D575 Y620 R622	M566-Y571 PolarHBondContact O-N 2.96Å; K569-Y571 HydrophobicContact CB-CD2 3.7Å; K569-Y571 HydrophobicContact CB-CE2 4.11Å; K569-Y571 HydrophobicContact CD-CD2 4.48Å; K569-Y571 HydrophobicContact CD-CE2 4.44Å; Y571-D575 HydrophobicContact CD1-CB 3.75Å; Y571-D575 HydrophobicContact CE1-CB 4.47Å; Y571-Y620 HydrophobicContact CD1-CD2 4.46Å; Y571-Y620 HydrophobicContact CD1-CE2 4.46Å; Y571-Y620 HydrophobicContact CD2-CD2 4.03Å; Y571-Y620 AromaticContact CD2-CE2 3.43Å; Y571-Y620 HydrophobicContact CD2-CE2 3.43Å; Y571-Y620 VanDerWaalsContact CD2-CE2 3.43Å; Y571-Y620 HydrophobicContact CE2-CD2 4.15Å; Y571-Y620 AromaticContact CE2-CE2 3.89Å; Y571-Y620 HydrophobicContact CE2-CE2 3.89Å; Y571-Y620 HydrophobicContact CG-CD2 4.17Å; Y571-Y620 AromaticContact CG-CE2 3.75Å; Y571-Y620 HydrophobicContact CG-CE2 3.75Å; Y571-Y620 PolarHBondContact OH-O 3.46Å; Y571-R622 PolarHBondContact OH-NE 2.8Å
572	S	93.3	Very high	93.5	Very high	47 Å²	47	67.4 Å²	67.4	33%	0.329	34%	0.343	S	S	.	.			trans	-99.6	170.9	171.9	76.2	0	0	0	0	111.7	Q574 D575 L576	S572-Q574 PolarHBondContact O-N 2.83Å; S572-Q574 PolarHBondContact OG-N 3.49Å; S572-D575 WeakPolarHBondContact CA-OD2 3.42Å; S572-D575 VanDerWaalsContact CB-OD2 3.32Å; S572-D575 WeakPolarHBondContact CB-OD2 3.39Å; S572-D575 PolarHBondContact N-OD2 3.42Å; S572-D575 WeakPolarHBondContact O-CB 3.44Å; S572-D575 PolarHBondContact O-N 2.9Å; S572-D575 PolarHBondContact OG-N 3.01Å; S572-D575 PolarHBondContact OG-OD2 2.96Å; S572-L576 PolarHBondContact O-N 3.35Å
573	E	90.7	Very high	93.6	Very high	77 Å²	77	65.2 Å²	65.2	36%	0.36	33%	0.328	S	S	.	.	H	α-helix	trans	-65.7	-28.7	173.8	-66.3	-178.6	171.2	0	0	112.3	R554 D575 L576 E577	R554-E573 IonicContact CZ-OE1 3.96Å; R554-E573 IonicContact NE-OE1 3.73Å; R554-E573 PolarHBondContact NE-OE1 3Å; R554-E573 VanDerWaalsContact NE-OE1 3.15Å; R554-E573 IonicContact NH2-OE1 3.27Å; R554-E573 PolarHBondContact NH2-OE1 2.94Å; E573-D575 VanDerWaalsContact C-N 3.32Å; E573-D575 PolarHBondContact O-N 2.92Å; E573-L576 PolarHBondContact O-N 3.45Å; E573-L576 VanDerWaalsContact O-N 3.14Å; E573-E577 WeakPolarHBondContact O-CG 3.27Å; E573-E577 PolarHBondContact O-N 3.28Å
574	Q	92.9	Very high	93.6	Very high	155 Å²	155	67 Å²	67	72%	0.724	33%	0.333	S	S	*	.	H	α-helix	trans	-66.4	-34	175.2	-63.3	177.5	-8.4	0	0	111.8	S572 E577 A578	S572-Q574 PolarHBondContact O-N 2.83Å; S572-Q574 PolarHBondContact OG-N 3.49Å; Q574-E577 PolarHBondContact O-N 3.34Å; Q574-A578 WeakPolarHBondContact O-CB 3.34Å; Q574-A578 PolarHBondContact O-N 3.18Å
575	D	93.8	Very high	93.7	Very high	63 Å²	63	61.3 Å²	61.3	34%	0.337	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-36.6	172.2	-58.4	-80.9	0	0	0	111.7	Y571 S572 E573 I579	Y571-D575 HydrophobicContact CD1-CB 3.75Å; Y571-D575 HydrophobicContact CE1-CB 4.47Å; S572-D575 WeakPolarHBondContact CA-OD2 3.42Å; S572-D575 VanDerWaalsContact CB-OD2 3.32Å; S572-D575 WeakPolarHBondContact CB-OD2 3.39Å; S572-D575 PolarHBondContact N-OD2 3.42Å; S572-D575 WeakPolarHBondContact O-CB 3.44Å; S572-D575 PolarHBondContact O-N 2.9Å; S572-D575 PolarHBondContact OG-N 3.01Å; S572-D575 PolarHBondContact OG-OD2 2.96Å; E573-D575 VanDerWaalsContact C-N 3.32Å; E573-D575 PolarHBondContact O-N 2.92Å; D575-I579 WeakPolarHBondContact O-CD1 3.14Å; D575-I579 VanDerWaalsContact O-CG1 3.26Å; D575-I579 WeakPolarHBondContact O-CG1 3.35Å; D575-I579 PolarHBondContact O-N 3.4Å
576	L	94.5	Very high	93.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-70.6	-36.1	175.8	-59	-175.2	0	0	0	111.9	R554 V557 I558 M566 S572 E573 I579 L580 W595 Y620	R554-L576 HydrophobicContact CG-CD1 3.69Å; V557-L576 HydrophobicContact CG1-CD2 4.07Å; I558-L576 HydrophobicContact CG2-CD1 4.1Å; I558-L576 HydrophobicContact CG2-CD2 4.11Å; M566-L576 HydrophobicContact SD-CD1 3.84Å; S572-L576 PolarHBondContact O-N 3.35Å; E573-L576 PolarHBondContact O-N 3.45Å; E573-L576 VanDerWaalsContact O-N 3.14Å; L576-I579 HydrophobicContact CD2-CD1 4.45Å; L576-I579 WeakPolarHBondContact O-CB 3.15Å; L576-I579 PolarHBondContact O-N 3.42Å; L576-L580 WeakPolarHBondContact O-CG 3.29Å; L576-L580 PolarHBondContact O-N 3.03Å; L576-W595 HydrophobicContact CB-CH2 3.5Å; L576-W595 VanDerWaalsContact CB-CH2 3.5Å; L576-W595 HydrophobicContact CB-CZ2 3.49Å; L576-W595 VanDerWaalsContact CB-CZ2 3.49Å; L576-W595 HydrophobicContact CB-CZ3 4.36Å; L576-W595 HydrophobicContact CD1-CH2 4.29Å; L576-W595 HydrophobicContact CD1-CZ3 4.38Å; L576-Y620 HydrophobicContact CD2-CD2 3.69Å; L576-Y620 HydrophobicContact CD2-CE2 4.12Å
577	E	94.8	Very high	93.5	Very high	60 Å²	60	65.1 Å²	65.1	28%	0.28	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-46.3	173.3	-74	171.3	-159.2	0	0	110.9	E573 Q574 I579 L580 D581 L589 W595	E573-E577 WeakPolarHBondContact O-CG 3.27Å; E573-E577 PolarHBondContact O-N 3.28Å; Q574-E577 PolarHBondContact O-N 3.34Å; E577-I579 PolarHBondContact O-N 3.49Å; E577-L580 CarbonylContact O-C 3.55Å; E577-L580 PolarHBondContact O-N 2.9Å; E577-D581 PolarHBondContact O-N 2.94Å; E577-L589 HydrophobicContact CG-CD2 4.14Å; E577-W595 HydrophobicContact CG-CZ2 3.76Å; E577-W595 PolarHBondContact OE1-NE1 2.99Å
578	A	94.8	Very high	93.4	Very high	50 Å²	50	56.7 Å²	56.7	41%	0.413	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-34.5	172.6	0	0	0	0	0	112.7	Q574 D581 I582	Q574-A578 WeakPolarHBondContact O-CB 3.34Å; Q574-A578 PolarHBondContact O-N 3.18Å; A578-D581 PolarHBondContact O-N 2.96Å; A578-I582 VanDerWaalsContact O-CG1 3.32Å; A578-I582 WeakPolarHBondContact O-CG1 3.23Å; A578-I582 PolarHBondContact O-N 2.92Å
579	I	95.3	Very high	93.3	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-42.1	172.6	-73	163.7	0	0	0	111.7	V557 D575 L576 E577 D581 I582 V583 A616 F619	V557-I579 HydrophobicContact CG1-CG2 4.42Å; D575-I579 WeakPolarHBondContact O-CD1 3.14Å; D575-I579 VanDerWaalsContact O-CG1 3.26Å; D575-I579 WeakPolarHBondContact O-CG1 3.35Å; D575-I579 PolarHBondContact O-N 3.4Å; L576-I579 HydrophobicContact CD2-CD1 4.45Å; L576-I579 WeakPolarHBondContact O-CB 3.15Å; L576-I579 PolarHBondContact O-N 3.42Å; E577-I579 PolarHBondContact O-N 3.49Å; I579-D581 VanDerWaalsContact C-N 3.29Å; I579-D581 PolarHBondContact O-N 3.06Å; I579-I582 PolarHBondContact O-N 3.39Å; I579-V583 WeakPolarHBondContact O-CG2 3.29Å; I579-V583 PolarHBondContact O-N 3.34Å; I579-A616 HydrophobicContact CG2-CB 3.84Å; I579-A616 WeakPolarHBondContact CG2-O 3.35Å; I579-F619 HydrophobicContact CG1-CB 4.18Å; I579-F619 HydrophobicContact CG2-CB 3.97Å
580	L	94.9	Very high	93.1	Very high	2 Å²	2	52 Å²	52	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-33.1	174.3	-70.4	-175.9	0	0	0	112.3	V557 L576 E577 V583 H584 L585 W595 I613	V557-L580 HydrophobicContact CG2-CD2 4.07Å; L576-L580 WeakPolarHBondContact O-CG 3.29Å; L576-L580 PolarHBondContact O-N 3.03Å; E577-L580 CarbonylContact O-C 3.55Å; E577-L580 PolarHBondContact O-N 2.9Å; L580-V583 CarbonylContact O-C 3.59Å; L580-V583 PolarHBondContact O-N 3.19Å; L580-H584 PolarHBondContact O-N 2.89Å; L580-L585 HydrophobicContact CB-CB 4.46Å; L580-L585 HydrophobicContact CD2-CB 3.94Å; L580-L585 HydrophobicContact CD2-CD1 4.42Å; L580-L585 PolarHBondContact O-N 2.85Å; L580-W595 HydrophobicContact CD1-CH2 3.38Å; L580-W595 HydrophobicContact CD1-CZ2 3.81Å; L580-W595 HydrophobicContact CD1-CZ3 4.13Å; L580-W595 HydrophobicContact CG-CH2 3.87Å; L580-W595 HydrophobicContact CG-CZ2 4.46Å; L580-I613 HydrophobicContact CD2-CD1 4.39Å
581	D	94.6	Very high	93.1	Very high	76 Å²	76	54.7 Å²	54.7	41%	0.406	27%	0.269	S	S	.	.	H	α-helix	trans	-65.7	-44.6	175.7	-71.1	-12.3	0	0	0	111.6	E577 A578 I579 V583 H584 H586	E577-D581 PolarHBondContact O-N 2.94Å; A578-D581 PolarHBondContact O-N 2.96Å; I579-D581 VanDerWaalsContact C-N 3.29Å; I579-D581 PolarHBondContact O-N 3.06Å; D581-V583 VanDerWaalsContact C-N 3.29Å; D581-V583 PolarHBondContact O-N 3.15Å; D581-H584 PolarHBondContact O-N 3.15Å; D581-H584 PolarHBondContact O-ND1 3.33Å; D581-H586 WeakPolarHBondContact OD1-CB 3.3Å; D581-H586 IonicContact OD1-CE1 3.68Å; D581-H586 IonicContact OD1-CG 2.7Å; D581-H586 IonicContact OD1-ND1 2.82Å; D581-H586 PolarHBondContact OD1-ND1 3.13Å
582	I	93.8	Very high	92.9	Very high	71 Å²	71	54.9 Å²	54.9	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-39.8	175.9	-69	165.3	0	0	0	111.4	A578 I579 F619 A646	A578-I582 VanDerWaalsContact O-CG1 3.32Å; A578-I582 WeakPolarHBondContact O-CG1 3.23Å; A578-I582 PolarHBondContact O-N 2.92Å; I579-I582 PolarHBondContact O-N 3.39Å; I582-F619 HydrophobicContact CG2-CD2 4.1Å; I582-F619 HydrophobicContact CG2-CE1 4.13Å; I582-F619 HydrophobicContact CG2-CE2 3.65Å; I582-F619 HydrophobicContact CG2-CZ 3.67Å; I582-A646 HydrophobicContact CG2-CB 3.88Å
583	V	94.3	Very high	92.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.2	176.9	-58.8	0	0	0	0	114	I579 L580 D581 L585 R612 M615 A616 F619 I643	I579-V583 WeakPolarHBondContact O-CG2 3.29Å; I579-V583 PolarHBondContact O-N 3.34Å; L580-V583 CarbonylContact O-C 3.59Å; L580-V583 PolarHBondContact O-N 3.19Å; D581-V583 VanDerWaalsContact C-N 3.29Å; D581-V583 PolarHBondContact O-N 3.15Å; V583-L585 HydrophobicContact CG2-CB 3.99Å; V583-L585 HydrophobicContact CG2-CD1 3.83Å; V583-L585 HydrophobicContact CG2-CG 3.73Å; V583-R612 HydrophobicContact CB-CB 4.29Å; V583-R612 WeakPolarHBondContact O-CD 3.29Å; V583-M615 HydrophobicContact CG1-CB 3.89Å; V583-A616 HydrophobicContact CG1-CB 4.45Å; V583-A616 HydrophobicContact CG2-CB 4.07Å; V583-F619 HydrophobicContact CG1-CD2 3.83Å; V583-F619 HydrophobicContact CG1-CE2 3.81Å; V583-I643 HydrophobicContact CB-CD1 4.14Å; V583-I643 HydrophobicContact CG1-CD1 4.22Å; V583-I643 HydrophobicContact CG1-CG1 4.4Å
584	H	93.5	Very high	92.6	Very high	75 Å²	75	53.1 Å²	53.1	35%	0.347	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	53.4	-177.8	-62.3	-36.5	0	0	0	113.5	L580 D581 R612 K642	L580-H584 PolarHBondContact O-N 2.89Å; D581-H584 PolarHBondContact O-N 3.15Å; D581-H584 PolarHBondContact O-ND1 3.33Å; H584-R612 PolarHBondContact O-NH1 3.35Å; H584-K642 VanDerWaalsContact NE2-CD 3.27Å; H584-K642 WeakPolarHBondContact NE2-CD 3.48Å; H584-K642 PolarHBondContact NE2-NZ 2.97Å; H584-K642 VanDerWaalsContact NE2-NZ 3.17Å
585	L	94.3	Very high	92.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.			trans	-122.1	4.1	178.6	-69.8	-169.9	0	0	0	115	L580 V583 H587 I588 E609 R612 I613	L580-L585 HydrophobicContact CB-CB 4.46Å; L580-L585 HydrophobicContact CD2-CB 3.94Å; L580-L585 HydrophobicContact CD2-CD1 4.42Å; L580-L585 PolarHBondContact O-N 2.85Å; V583-L585 HydrophobicContact CG2-CB 3.99Å; V583-L585 HydrophobicContact CG2-CD1 3.83Å; V583-L585 HydrophobicContact CG2-CG 3.73Å; L585-H587 PolarHBondContact O-N 2.94Å; L585-I588 HydrophobicContact CB-CD1 4.26Å; L585-I588 HydrophobicContact CD1-CD1 4.29Å; L585-I588 HydrophobicContact CD2-CD1 3.86Å; L585-I588 HydrophobicContact CG-CD1 4.37Å; L585-I588 WeakPolarHBondContact O-CB 3.49Å; L585-I588 PolarHBondContact O-N 3.35Å; L585-E609 HydrophobicContact CD2-CB 4.33Å; L585-E609 HydrophobicContact CD2-CG 3.98Å; L585-R612 HydrophobicContact CD1-CB 3.67Å; L585-R612 HydrophobicContact CD2-CB 3.94Å; L585-R612 VanDerWaalsContact CD2-CZ 3.49Å; L585-R612 HydrophobicContact CG-CB 3.85Å; L585-I613 HydrophobicContact CD1-CD1 3.61Å; L585-I613 HydrophobicContact CD1-CG1 3.72Å
586	H	91.8	Very high	92.4	Very high	61 Å²	61	49.2 Å²	49.2	28%	0.282	26%	0.26	S	S	.	.	H	α-helix	trans	-49.2	-34.2	-179.6	-165	108.9	0	0	0	113.9	D581 I588 L589 Q590	D581-H586 WeakPolarHBondContact OD1-CB 3.3Å; D581-H586 IonicContact OD1-CE1 3.68Å; D581-H586 IonicContact OD1-CG 2.7Å; D581-H586 IonicContact OD1-ND1 2.82Å; D581-H586 PolarHBondContact OD1-ND1 3.13Å; H586-I588 PolarHBondContact O-N 3.44Å; H586-L589 WeakPolarHBondContact O-CB 3.44Å; H586-L589 PolarHBondContact O-N 3.26Å; H586-L589 VanDerWaalsContact O-N 3.14Å; H586-Q590 PolarHBondContact CD2-NE2 3.46Å; H586-Q590 PolarHBondContact NE2-NE2 2.86Å
587	H	92	Very high	92.3	Very high	81 Å²	81	49.8 Å²	49.8	38%	0.375	27%	0.265	S	S	.	.	H	α-helix	trans	-59.8	-26.9	179.2	68.3	-79.5	0	0	0	113.5	L585 L589 Q590 R591 E609	L585-H587 PolarHBondContact O-N 2.94Å; H587-L589 VanDerWaalsContact C-N 3.35Å; H587-Q590 PolarHBondContact O-N 3.05Å; H587-R591 VanDerWaalsContact O-CB 3.26Å; H587-R591 WeakPolarHBondContact O-CB 3.46Å; H587-R591 PolarHBondContact O-N 2.93Å; H587-E609 IonicContact CD2-OE1 3.5Å; H587-E609 IonicContact CE1-OE1 3.92Å; H587-E609 IonicContact NE2-OE1 2.66Å; H587-E609 PolarHBondContact NE2-OE1 3.28Å
588	I	91.9	Very high	92.1	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-39.6	178.1	-58.7	-178.4	0	0	0	110.6	L553 L585 H586 Q590 R591 E592 L605 E609	L553-I588 HydrophobicContact CD1-CG2 4.11Å; L553-I588 HydrophobicContact CD2-CG2 4.09Å; L585-I588 HydrophobicContact CB-CD1 4.26Å; L585-I588 HydrophobicContact CD1-CD1 4.29Å; L585-I588 HydrophobicContact CD2-CD1 3.86Å; L585-I588 HydrophobicContact CG-CD1 4.37Å; L585-I588 WeakPolarHBondContact O-CB 3.49Å; L585-I588 PolarHBondContact O-N 3.35Å; H586-I588 PolarHBondContact O-N 3.44Å; I588-Q590 PolarHBondContact O-N 2.87Å; I588-R591 PolarHBondContact O-N 3.34Å; I588-R591 VanDerWaalsContact O-N 3.16Å; I588-E592 HydrophobicContact CG2-CG 3.72Å; I588-E592 WeakPolarHBondContact O-CG 3.36Å; I588-E592 PolarHBondContact O-N 3.33Å; I588-L605 HydrophobicContact CD1-CD2 3.95Å; I588-L605 HydrophobicContact CG2-CD2 4.3Å; I588-E609 HydrophobicContact CD1-CB 4.11Å; I588-E609 HydrophobicContact CD1-CG 4Å
589	L	90.4	Very high	91.9	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-56.3	-42.7	178.5	-166	77.8	0	0	0	111	L553 E577 H586 H587 G594 W595	L553-L589 HydrophobicContact CD2-CD1 4.12Å; E577-L589 HydrophobicContact CG-CD2 4.14Å; H586-L589 WeakPolarHBondContact O-CB 3.44Å; H586-L589 PolarHBondContact O-N 3.26Å; H586-L589 VanDerWaalsContact O-N 3.14Å; H587-L589 VanDerWaalsContact C-N 3.35Å; L589-G594 WeakPolarHBondContact O-CA 3.43Å; L589-G594 PolarHBondContact O-N 2.83Å; L589-W595 HydrophobicContact CD1-CD2 3.59Å; L589-W595 HydrophobicContact CD1-CE3 4.17Å; L589-W595 HydrophobicContact CD1-CG 3.79Å; L589-W595 HydrophobicContact CD1-CZ2 4.08Å
590	Q	88.4	Confident	91.6	Very high	149 Å²	149	58.6 Å²	58.6	70%	0.696	31%	0.307	S	S	*	.	H	α-helix	trans	-78.3	-33.7	179.3	-58.9	179.6	9	0	0	112.5	H586 H587 I588	H586-Q590 PolarHBondContact CD2-NE2 3.46Å; H586-Q590 PolarHBondContact NE2-NE2 2.86Å; H587-Q590 PolarHBondContact O-N 3.05Å; I588-Q590 PolarHBondContact O-N 2.87Å
591	R	92.1	Very high	91.5	Very high	116 Å²	116	58.7 Å²	58.7	44%	0.438	31%	0.307	S	S	.	.	H	α-helix	trans	-72	-39.2	-177.9	-168.8	-179.4	79.2	-158.7	4.7	113.3	H587 I588 E609	H587-R591 VanDerWaalsContact O-CB 3.26Å; H587-R591 WeakPolarHBondContact O-CB 3.46Å; H587-R591 PolarHBondContact O-N 2.93Å; I588-R591 PolarHBondContact O-N 3.34Å; I588-R591 VanDerWaalsContact O-N 3.16Å; R591-E609 IonicContact CZ-OE1 3.97Å; R591-E609 IonicContact NH1-OE1 3.17Å; R591-E609 PolarHBondContact NH1-OE1 3.39Å; R591-E609 IonicContact NH1-OE2 3.72Å; R591-E609 IonicContact NH2-OE1 2.7Å
592	E	89.3	Confident	91.2	Very high	42 Å²	42	60.9 Å²	60.9	20%	0.196	31%	0.314	C	S	.	.	H	α-helix	trans	-101.6	-5.5	-169.2	-54	-65.3	162	0	0	113.8	I588 A597 W601 V604	I588-E592 HydrophobicContact CG2-CG 3.72Å; I588-E592 WeakPolarHBondContact O-CG 3.36Å; I588-E592 PolarHBondContact O-N 3.33Å; E592-A597 HydrophobicContact CB-CB 4.26Å; E592-A597 WeakPolarHBondContact O-CB 3.32Å; E592-W601 HydrophobicContact CB-CH2 4.07Å; E592-W601 HydrophobicContact CB-CZ3 4.38Å; E592-W601 HydrophobicContact CG-CH2 4.17Å; E592-W601 HydrophobicContact CG-CZ3 3.97Å; E592-V604 VanDerWaalsContact OE1-CG1 3.27Å; E592-V604 WeakPolarHBondContact OE1-CG1 3.45Å
593	G	85	Confident	90.8	Very high	67 Å²	67	62.7 Å²	62.7	69%	0.691	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	27	177.9	0	0	0	0	0	115.9
594	G	91.6	Very high	90.7	Very high	19 Å²	19	65.6 Å²	65.6	20%	0.196	34%	0.341	C	S	.	.	S	Bend	trans	92	-172.6	170.7	0	0	0	0	0	115.8	L589 E596 A597	L589-G594 WeakPolarHBondContact O-CA 3.43Å; L589-G594 PolarHBondContact O-N 2.83Å; G594-E596 VanDerWaalsContact C-N 3.31Å; G594-E596 PolarHBondContact O-N 3Å; G594-A597 VanDerWaalsContact O-CB 3.29Å; G594-A597 WeakPolarHBondContact O-CB 3.48Å; G594-A597 PolarHBondContact O-N 2.9Å
595	W	91.8	Very high	90.6	Very high	16 Å²	16	62.2 Å²	62.2	6%	0.061	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-32.1	-171.3	-76.4	119.7	0	0	0	115	S552 L553 R554 V557 L576 E577 L580 L589	S552-W595 WeakPolarHBondContact CB-O 3.34Å; L553-W595 HydrophobicContact CG-CE3 4.2Å; L553-W595 HydrophobicContact CG-CZ3 4.28Å; L553-W595 PolarHBondContact N-O 3.12Å; R554-W595 HydrophobicContact CB-CB 4.42Å; R554-W595 HydrophobicContact CB-CE3 3.91Å; R554-W595 HydrophobicContact CG-CE3 4.2Å; R554-W595 PolarHBondContact N-O 3.39Å; V557-W595 HydrophobicContact CG2-CH2 4.26Å; V557-W595 HydrophobicContact CG2-CZ3 3.93Å; L576-W595 HydrophobicContact CB-CH2 3.5Å; L576-W595 VanDerWaalsContact CB-CH2 3.5Å; L576-W595 HydrophobicContact CB-CZ2 3.49Å; L576-W595 VanDerWaalsContact CB-CZ2 3.49Å; L576-W595 HydrophobicContact CB-CZ3 4.36Å; L576-W595 HydrophobicContact CD1-CH2 4.29Å; L576-W595 HydrophobicContact CD1-CZ3 4.38Å; E577-W595 HydrophobicContact CG-CZ2 3.76Å; E577-W595 PolarHBondContact OE1-NE1 2.99Å; L580-W595 HydrophobicContact CD1-CH2 3.38Å; L580-W595 HydrophobicContact CD1-CZ2 3.81Å; L580-W595 HydrophobicContact CD1-CZ3 4.13Å; L580-W595 HydrophobicContact CG-CH2 3.87Å; L580-W595 HydrophobicContact CG-CZ2 4.46Å; L589-W595 HydrophobicContact CD1-CD2 3.59Å; L589-W595 HydrophobicContact CD1-CE3 4.17Å; L589-W595 HydrophobicContact CD1-CG 3.79Å; L589-W595 HydrophobicContact CD1-CZ2 4.08Å
596	E	91.6	Very high	90.5	Very high	120 Å²	120	65 Å²	65	56%	0.561	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	3	-178.8	-56.7	-68.2	-170.2	0	0	113.9	R554 G594 M598	R554-E596 IonicContact CZ-OE1 3.77Å; R554-E596 IonicContact CZ-OE2 2.6Å; R554-E596 IonicContact NH1-OE1 2.66Å; R554-E596 PolarHBondContact NH1-OE1 3.49Å; R554-E596 IonicContact NH1-OE2 2.74Å; R554-E596 PolarHBondContact NH1-OE2 3.42Å; R554-E596 IonicContact NH2-OE1 3.42Å; R554-E596 PolarHBondContact NH2-OE1 3.49Å; R554-E596 IonicContact NH2-OE2 2.72Å; G594-E596 VanDerWaalsContact C-N 3.31Å; G594-E596 PolarHBondContact O-N 3Å; E596-M598 PolarHBondContact O-N 3.49Å
597	A	91.8	Very high	90.4	Very high	13 Å²	13	64 Å²	64	11%	0.107	35%	0.351	C	S	.	.			trans	-55.9	136.3	175.7	0	0	0	0	0	110.8	S552 L553 E592 G594 W601	S552-A597 CarbonylContact C-O 3.57Å; S552-A597 WeakPolarHBondContact CA-O 3.28Å; L553-A597 PolarHBondContact N-O 3.42Å; L553-A597 VanDerWaalsContact N-O 3.13Å; E592-A597 HydrophobicContact CB-CB 4.26Å; E592-A597 WeakPolarHBondContact O-CB 3.32Å; G594-A597 VanDerWaalsContact O-CB 3.29Å; G594-A597 WeakPolarHBondContact O-CB 3.48Å; G594-A597 PolarHBondContact O-N 2.9Å; A597-W601 HydrophobicContact CB-CH2 4.28Å; A597-W601 HydrophobicContact CB-CZ2 4.34Å; A597-W601 WeakPolarHBondContact O-CZ2 3.49Å
598	M	91.8	Very high	90.4	Very high	155 Å²	155	60.6 Å²	60.6	76%	0.764	34%	0.338	S	S	*	.			trans	-124.5	102.2	179.7	-77.5	-178.9	-80.4	0	0	110.1	E596	E596-M598 PolarHBondContact O-N 3.49Å
599	C	89.1	Confident	90.5	Very high	46 Å²	46	61.1 Å²	61.1	31%	0.311	34%	0.341	S	S	.	.			trans	-126.4	165.1	-176.4	-62.4	0	0	0	0	110.2	W601 V604	C599-W601 VanDerWaalsContact C-N 3.3Å; C599-W601 HydrophobicContact CB-CD2 4.28Å; C599-W601 HydrophobicContact CB-CE3 4.36Å; C599-W601 HydrophobicContact CB-CH2 4.27Å; C599-W601 HydrophobicContact CB-CZ2 4.19Å; C599-W601 HydrophobicContact CB-CZ3 4.36Å; C599-W601 VanDerWaalsContact O-CD1 3.28Å; C599-W601 PolarHBondContact O-N 3.12Å; C599-W601 PolarHBondContact O-NE1 3.49Å; C599-V604 HydrophobicContact CB-CG2 4.16Å
600	D	89.5	Confident	90.7	Very high	99 Å²	99	62.4 Å²	62.4	53%	0.529	35%	0.346	S	S	.	.			trans	-77.1	88.3	162	-161.5	-27.5	0	0	0	109.8	K602 D603 V604	D600-K602 PolarHBondContact O-N 3.13Å; D600-K602 VanDerWaalsContact O-N 3.1Å; D600-K602 WeakPolarHBondContact OD1-CB 3.43Å; D600-K602 PolarHBondContact OD1-N 3.15Å; D600-D603 PolarHBondContact O-N 3.31Å; D600-V604 WeakPolarHBondContact O-CG2 3.27Å; D600-V604 PolarHBondContact O-N 3.43Å
601	W	91.9	Very high	91	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.011	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-19.2	178.1	-58.1	112.5	0	0	0	113.8	M548 G551 L553 Q556 E592 A597 C599 D603 L605	M548-W601 HydrophobicContact CB-CB 3.86Å; M548-W601 HydrophobicContact CG-CB 4.14Å; G551-W601 PolarHBondContact O-NE1 3.41Å; L553-W601 HydrophobicContact CB-CH2 3.78Å; L553-W601 HydrophobicContact CB-CZ2 3.68Å; L553-W601 HydrophobicContact CD1-CH2 3.9Å; L553-W601 HydrophobicContact CD1-CZ2 4.3Å; L553-W601 HydrophobicContact CD1-CZ3 4.06Å; L553-W601 HydrophobicContact CG-CH2 4.26Å; Q556-W601 VanDerWaalsContact CD-CD1 3.43Å; Q556-W601 HydrophobicContact CG-CB 4.49Å; Q556-W601 HydrophobicContact CG-CD2 4.04Å; Q556-W601 HydrophobicContact CG-CG 3.86Å; E592-W601 HydrophobicContact CB-CH2 4.07Å; E592-W601 HydrophobicContact CB-CZ3 4.38Å; E592-W601 HydrophobicContact CG-CH2 4.17Å; E592-W601 HydrophobicContact CG-CZ3 3.97Å; A597-W601 HydrophobicContact CB-CH2 4.28Å; A597-W601 HydrophobicContact CB-CZ2 4.34Å; A597-W601 WeakPolarHBondContact O-CZ2 3.49Å; C599-W601 VanDerWaalsContact C-N 3.3Å; C599-W601 HydrophobicContact CB-CD2 4.28Å; C599-W601 HydrophobicContact CB-CE3 4.36Å; C599-W601 HydrophobicContact CB-CH2 4.27Å; C599-W601 HydrophobicContact CB-CZ2 4.19Å; C599-W601 HydrophobicContact CB-CZ3 4.36Å; C599-W601 VanDerWaalsContact O-CD1 3.28Å; C599-W601 PolarHBondContact O-N 3.12Å; C599-W601 PolarHBondContact O-NE1 3.49Å; W601-D603 VanDerWaalsContact C-N 3.27Å; W601-D603 PolarHBondContact O-N 3.33Å; W601-L605 HydrophobicContact CB-CD1 4.25Å; W601-L605 HydrophobicContact CE3-CD1 4Å; W601-L605 HydrophobicContact CE3-CD2 4Å; W601-L605 HydrophobicContact CE3-CG 3.89Å; W601-L605 HydrophobicContact CZ3-CD2 4.23Å
602	K	88.9	Confident	91.1	Very high	123 Å²	123	52.1 Å²	52.1	54%	0.535	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-32.4	172.8	-174	-172.4	137.3	-72.7	0	111.2	D600 K610	D600-K602 PolarHBondContact O-N 3.13Å; D600-K602 VanDerWaalsContact O-N 3.1Å; D600-K602 WeakPolarHBondContact OD1-CB 3.43Å; D600-K602 PolarHBondContact OD1-N 3.15Å; K602-K610 WeakPolarHBondContact O-CE 3.46Å; K602-K610 PolarHBondContact O-NZ 2.99Å
603	D	86.8	Confident	91.4	Very high	108 Å²	108	50.1 Å²	50.1	58%	0.578	29%	0.292	S	S	*	.	H	α-helix	trans	-114.1	-27.5	-171.1	-63.8	-19.6	0	0	0	112.5	D600 W601	D600-D603 PolarHBondContact O-N 3.31Å; W601-D603 VanDerWaalsContact C-N 3.27Å; W601-D603 PolarHBondContact O-N 3.33Å
604	V	90.3	Very high	91.8	Very high	61 Å²	61	47.1 Å²	47.1	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-73.7	-32.1	176.3	171.4	0	0	0	0	113.8	E592 C599 D600	E592-V604 VanDerWaalsContact OE1-CG1 3.27Å; E592-V604 WeakPolarHBondContact OE1-CG1 3.45Å; C599-V604 HydrophobicContact CB-CG2 4.16Å; D600-V604 WeakPolarHBondContact O-CG2 3.27Å; D600-V604 PolarHBondContact O-N 3.43Å
605	L	91.7	Very high	92	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	-90.2	135.4	-177.2	-61.7	-179.7	0	0	0	112.2	M548 I588 W601 E609 K610 I613	M548-L605 HydrophobicContact SD-CD1 3.83Å; I588-L605 HydrophobicContact CD1-CD2 3.95Å; I588-L605 HydrophobicContact CG2-CD2 4.3Å; W601-L605 HydrophobicContact CB-CD1 4.25Å; W601-L605 HydrophobicContact CE3-CD1 4Å; W601-L605 HydrophobicContact CE3-CD2 4Å; W601-L605 HydrophobicContact CE3-CG 3.89Å; W601-L605 HydrophobicContact CZ3-CD2 4.23Å; L605-E609 HydrophobicContact CB-CB 4.34Å; L605-K610 HydrophobicContact CB-CD 4.46Å; L605-K610 HydrophobicContact CB-CG 3.76Å; L605-K610 HydrophobicContact CD1-CG 4.49Å; L605-K610 WeakPolarHBondContact O-CE 3.43Å; L605-K610 PolarHBondContact O-NZ 3.35Å; L605-I613 HydrophobicContact CD1-CG1 4.29Å
606	S	91.9	Very high	92.2	Very high	58 Å²	58	45.6 Å²	45.6	41%	0.406	25%	0.249	S	C	.	.			trans	-66.9	160.2	170.8	65.9	0	0	0	0	112	G608 E609 K610	S606-G608 VanDerWaalsContact C-N 3.29Å; S606-G608 PolarHBondContact O-N 2.96Å; S606-E609 VanDerWaalsContact CB-OE2 3.3Å; S606-E609 WeakPolarHBondContact CB-OE2 3.5Å; S606-E609 PolarHBondContact N-OE2 2.98Å; S606-E609 PolarHBondContact O-N 3.45Å; S606-E609 WeakPolarHBondContact OG-CB 3.46Å; S606-E609 WeakPolarHBondContact OG-CG 3.45Å; S606-E609 PolarHBondContact OG-N 3.03Å; S606-E609 PolarHBondContact OG-OE2 3.45Å; S606-K610 WeakPolarHBondContact O-CG 3.47Å; S606-K610 PolarHBondContact O-N 3.05Å
607	G	89.8	Confident	92.4	Very high	40 Å²	40	40.5 Å²	40.5	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-55.4	-40.8	178.9	0	0	0	0	0	113.7	Q611	G607-Q611 PolarHBondContact O-N 2.97Å; G607-Q611 VanDerWaalsContact O-N 3.09Å
608	G	92.1	Very high	92.5	Very high	10 Å²	10	39.9 Å²	39.9	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-72.7	-25.2	175.9	0	0	0	0	0	114.1	S606 R612 A634	S606-G608 VanDerWaalsContact C-N 3.29Å; S606-G608 PolarHBondContact O-N 2.96Å; G608-R612 VanDerWaalsContact O-CG 3.31Å; G608-R612 WeakPolarHBondContact O-CG 3.43Å; G608-R612 PolarHBondContact O-N 2.68Å; G608-R612 PolarHBondContact O-NE 3.36Å; G608-A634 WeakPolarHBondContact CA-O 3.3Å
609	E	94.3	Very high	92.7	Very high	13 Å²	13	33 Å²	33	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-75.7	-45.4	171	-71.4	165.6	136	0	0	111	L585 H587 I588 R591 L605 S606 Q611 R612 I613	L585-E609 HydrophobicContact CD2-CB 4.33Å; L585-E609 HydrophobicContact CD2-CG 3.98Å; H587-E609 IonicContact CD2-OE1 3.5Å; H587-E609 IonicContact CE1-OE1 3.92Å; H587-E609 IonicContact NE2-OE1 2.66Å; H587-E609 PolarHBondContact NE2-OE1 3.28Å; I588-E609 HydrophobicContact CD1-CB 4.11Å; I588-E609 HydrophobicContact CD1-CG 4Å; R591-E609 IonicContact CZ-OE1 3.97Å; R591-E609 IonicContact NH1-OE1 3.17Å; R591-E609 PolarHBondContact NH1-OE1 3.39Å; R591-E609 IonicContact NH1-OE2 3.72Å; R591-E609 IonicContact NH2-OE1 2.7Å; L605-E609 HydrophobicContact CB-CB 4.34Å; S606-E609 VanDerWaalsContact CB-OE2 3.3Å; S606-E609 WeakPolarHBondContact CB-OE2 3.5Å; S606-E609 PolarHBondContact N-OE2 2.98Å; S606-E609 PolarHBondContact O-N 3.45Å; S606-E609 WeakPolarHBondContact OG-CB 3.46Å; S606-E609 WeakPolarHBondContact OG-CG 3.45Å; S606-E609 PolarHBondContact OG-N 3.03Å; S606-E609 PolarHBondContact OG-OE2 3.45Å; E609-Q611 VanDerWaalsContact C-N 3.28Å; E609-Q611 PolarHBondContact O-N 2.97Å; E609-R612 CarbonylContact O-C 3.56Å; E609-R612 PolarHBondContact O-N 2.94Å; E609-I613 WeakPolarHBondContact O-CG1 3.29Å; E609-I613 PolarHBondContact O-N 3.35Å
610	K	94.7	Very high	93	Very high	49 Å²	49	30.8 Å²	30.8	21%	0.213	17%	0.17	C	C	.	.	H	α-helix	trans	-53.5	-43.2	173.4	-72	161.1	172.8	144.8	0	112.3	M548 K602 L605 S606 G614	M548-K610 HydrophobicContact CE-CB 3.97Å; M548-K610 HydrophobicContact CE-CG 4.13Å; M548-K610 HydrophobicContact CG-CG 4.28Å; M548-K610 HydrophobicContact SD-CG 4.23Å; K602-K610 WeakPolarHBondContact O-CE 3.46Å; K602-K610 PolarHBondContact O-NZ 2.99Å; L605-K610 HydrophobicContact CB-CD 4.46Å; L605-K610 HydrophobicContact CB-CG 3.76Å; L605-K610 HydrophobicContact CD1-CG 4.49Å; L605-K610 WeakPolarHBondContact O-CE 3.43Å; L605-K610 PolarHBondContact O-NZ 3.35Å; S606-K610 WeakPolarHBondContact O-CG 3.47Å; S606-K610 PolarHBondContact O-N 3.05Å; K610-G614 PolarHBondContact O-N 3.42Å; K610-G614 VanDerWaalsContact O-N 3.14Å
611	Q	94.5	Very high	93.2	Very high	10 Å²	10	28 Å²	28	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-44.9	174.4	-84	-175.3	-6.5	0	0	112.7	P546 G607 E609 G614 M615 C631 T632 S633 V635	P546-Q611 HydrophobicContact CG-CG 4.24Å; G607-Q611 PolarHBondContact O-N 2.97Å; G607-Q611 VanDerWaalsContact O-N 3.09Å; E609-Q611 VanDerWaalsContact C-N 3.28Å; E609-Q611 PolarHBondContact O-N 2.97Å; Q611-G614 WeakPolarHBondContact O-CA 3.36Å; Q611-G614 PolarHBondContact O-N 2.94Å; Q611-G614 VanDerWaalsContact O-N 3.08Å; Q611-M615 PolarHBondContact O-N 3.37Å; Q611-M615 VanDerWaalsContact O-N 3.14Å; Q611-C631 VanDerWaalsContact CB-O 3.27Å; Q611-C631 WeakPolarHBondContact CB-O 3.27Å; Q611-C631 VanDerWaalsContact CD-O 3.27Å; Q611-C631 VanDerWaalsContact CG-O 3.29Å; Q611-C631 WeakPolarHBondContact CG-O 3.34Å; Q611-C631 PolarHBondContact OE1-O 2.92Å; Q611-T632 VanDerWaalsContact OE1-C 3.26Å; Q611-S633 PolarHBondContact NE2-OG 2.94Å; Q611-V635 HydrophobicContact CB-CG2 4.06Å
612	R	94.9	Very high	93.3	Very high	39 Å²	39	35.4 Å²	35.4	15%	0.147	18%	0.182	C	C	.	.	H	α-helix	trans	-70.4	-30.3	178.6	-71.9	177.6	-67.1	155.8	-2.6	113.4	V583 H584 L585 G608 E609 G614 M615 A616 V635 I643	V583-R612 HydrophobicContact CB-CB 4.29Å; V583-R612 WeakPolarHBondContact O-CD 3.29Å; H584-R612 PolarHBondContact O-NH1 3.35Å; L585-R612 HydrophobicContact CD1-CB 3.67Å; L585-R612 HydrophobicContact CD2-CB 3.94Å; L585-R612 VanDerWaalsContact CD2-CZ 3.49Å; L585-R612 HydrophobicContact CG-CB 3.85Å; G608-R612 VanDerWaalsContact O-CG 3.31Å; G608-R612 WeakPolarHBondContact O-CG 3.43Å; G608-R612 PolarHBondContact O-N 2.68Å; G608-R612 PolarHBondContact O-NE 3.36Å; E609-R612 CarbonylContact O-C 3.56Å; E609-R612 PolarHBondContact O-N 2.94Å; R612-G614 VanDerWaalsContact C-N 3.31Å; R612-M615 PolarHBondContact O-N 2.94Å; R612-A616 PolarHBondContact O-N 2.88Å; R612-V635 HydrophobicContact CG-CG1 4.39Å; R612-V635 HydrophobicContact CG-CG2 3.96Å; R612-I643 HydrophobicContact CG-CD1 4.11Å
613	I	95.4	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-38.7	166.7	-70.4	-67.3	0	0	0	110.9	M548 Q556 V557 L580 L585 L605 E609 M615 A616 R617	M548-I613 HydrophobicContact CE-CB 4.41Å; M548-I613 HydrophobicContact CE-CG2 4.07Å; M548-I613 HydrophobicContact SD-CG2 4.17Å; Q556-I613 HydrophobicContact CB-CG2 4.09Å; Q556-I613 WeakPolarHBondContact O-CG2 3.42Å; V557-I613 HydrophobicContact CG2-CD1 4.37Å; L580-I613 HydrophobicContact CD2-CD1 4.39Å; L585-I613 HydrophobicContact CD1-CD1 3.61Å; L585-I613 HydrophobicContact CD1-CG1 3.72Å; L605-I613 HydrophobicContact CD1-CG1 4.29Å; E609-I613 WeakPolarHBondContact O-CG1 3.29Å; E609-I613 PolarHBondContact O-N 3.35Å; I613-M615 VanDerWaalsContact C-N 3.32Å; I613-M615 PolarHBondContact O-N 3Å; I613-A616 WeakPolarHBondContact O-CB 3.33Å; I613-A616 PolarHBondContact O-N 3.14Å; I613-R617 PolarHBondContact O-N 3.46Å; I613-R617 VanDerWaalsContact O-N 3.12Å
614	G	94.6	Very high	93.8	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-56.5	-44.8	170.3	0	0	0	0	0	112.7	I542 K610 Q611 R612 R617 M618	I542-G614 VanDerWaalsContact CD1-O 3.26Å; I542-G614 WeakPolarHBondContact CD1-O 3.4Å; K610-G614 PolarHBondContact O-N 3.42Å; K610-G614 VanDerWaalsContact O-N 3.14Å; Q611-G614 WeakPolarHBondContact O-CA 3.36Å; Q611-G614 PolarHBondContact O-N 2.94Å; Q611-G614 VanDerWaalsContact O-N 3.08Å; R612-G614 VanDerWaalsContact C-N 3.31Å; G614-R617 PolarHBondContact O-N 2.93Å; G614-M618 PolarHBondContact O-N 3Å
615	M	94.8	Very high	94	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	13%	0.129	C	C	.	.	H	α-helix	trans	-67.5	-36.2	176	-51.3	-57.7	-84.4	0	0	112.1	I542 V583 Q611 R612 I613 R617 M618 F619 L628 C631 I643 F644	I542-M615 HydrophobicContact CD1-SD 3.47Å; I542-M615 WeakPolarHBondContact CD1-SD 3.45Å; V583-M615 HydrophobicContact CG1-CB 3.89Å; Q611-M615 PolarHBondContact O-N 3.37Å; Q611-M615 VanDerWaalsContact O-N 3.14Å; R612-M615 PolarHBondContact O-N 2.94Å; I613-M615 VanDerWaalsContact C-N 3.32Å; I613-M615 PolarHBondContact O-N 3Å; M615-R617 VanDerWaalsContact C-N 3.34Å; M615-R617 PolarHBondContact O-N 3.43Å; M615-M618 HydrophobicContact CE-CE 4.32Å; M615-M618 WeakPolarHBondContact O-CB 3.46Å; M615-M618 PolarHBondContact O-N 3.03Å; M615-M618 VanDerWaalsContact O-N 3.13Å; M615-F619 WeakPolarHBondContact O-CD2 3.5Å; M615-F619 PolarHBondContact O-N 3.39Å; M615-F619 VanDerWaalsContact O-N 3.12Å; M615-L628 HydrophobicContact CE-CD1 4.46Å; M615-L628 HydrophobicContact CE-CD2 4.49Å; M615-L628 HydrophobicContact SD-CD2 4.47Å; M615-C631 HydrophobicContact SD-CB 4.48Å; M615-I643 HydrophobicContact CB-CG2 4.13Å; M615-I643 HydrophobicContact CE-CG2 3.44Å; M615-I643 VanDerWaalsContact CE-CG2 3.44Å; M615-I643 HydrophobicContact CG-CG2 4.08Å; M615-F644 HydrophobicContact CE-CE2 4.16Å
616	A	95.6	Very high	94.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-43.2	176.2	0	0	0	0	0	111.9	V557 I579 V583 R612 I613 M618 F619 Y620	V557-A616 HydrophobicContact CG1-CB 4.2Å; I579-A616 HydrophobicContact CG2-CB 3.84Å; I579-A616 WeakPolarHBondContact CG2-O 3.35Å; V583-A616 HydrophobicContact CG1-CB 4.45Å; V583-A616 HydrophobicContact CG2-CB 4.07Å; R612-A616 PolarHBondContact O-N 2.88Å; I613-A616 WeakPolarHBondContact O-CB 3.33Å; I613-A616 PolarHBondContact O-N 3.14Å; A616-M618 VanDerWaalsContact C-N 3.31Å; A616-M618 PolarHBondContact O-N 3.24Å; A616-F619 PolarHBondContact O-N 3.46Å; A616-F619 VanDerWaalsContact O-N 3.16Å; A616-Y620 PolarHBondContact O-N 2.99Å
617	R	95.8	Very high	94.3	Very high	13 Å²	13	22.6 Å²	22.6	5%	0.049	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-41.5	173.7	-65.9	171.7	-174.5	169.1	4	112.2	F540 Y547 Q556 V557 I613 G614 M615 Y620 H621	F540-R617 HydrophobicContact CE1-CB 3.8Å; F540-R617 HydrophobicContact CZ-CB 3.58Å; Y547-R617 PolarHBondContact O-NH1 3.42Å; Y547-R617 PolarHBondContact O-NH2 3.45Å; Q556-R617 PolarHBondContact O-NE 3.22Å; Q556-R617 PolarHBondContact O-NH2 3.38Å; Q556-R617 VanDerWaalsContact O-NH2 3.13Å; V557-R617 VanDerWaalsContact O-CG 3.31Å; V557-R617 WeakPolarHBondContact O-CG 3.31Å; I613-R617 PolarHBondContact O-N 3.46Å; I613-R617 VanDerWaalsContact O-N 3.12Å; G614-R617 PolarHBondContact O-N 2.93Å; M615-R617 VanDerWaalsContact C-N 3.34Å; M615-R617 PolarHBondContact O-N 3.43Å; R617-Y620 PolarHBondContact O-N 3.35Å; R617-H621 PolarHBondContact O-CD2 3.18Å; R617-H621 PolarHBondContact O-N 3.11Å
618	M	95.4	Very high	94.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.8	-41.8	176.6	175.9	-165.3	74.6	0	0	111.8	F540 I542 G614 M615 A616 Y620 H621 R622 P623 A626 L628 A647 I652	F540-M618 HydrophobicContact CD1-CB 3.98Å; F540-M618 HydrophobicContact CE1-CB 4.41Å; I542-M618 HydrophobicContact CD1-CB 4.03Å; I542-M618 HydrophobicContact CD1-SD 4.42Å; G614-M618 PolarHBondContact O-N 3Å; M615-M618 HydrophobicContact CE-CE 4.32Å; M615-M618 WeakPolarHBondContact O-CB 3.46Å; M615-M618 PolarHBondContact O-N 3.03Å; M615-M618 VanDerWaalsContact O-N 3.13Å; A616-M618 VanDerWaalsContact C-N 3.31Å; A616-M618 PolarHBondContact O-N 3.24Å; M618-Y620 VanDerWaalsContact C-N 3.34Å; M618-H621 PolarHBondContact O-N 3.24Å; M618-R622 PolarHBondContact O-N 2.95Å; M618-P623 HydrophobicContact CG-CG 4.06Å; M618-P623 VanDerWaalsContact O-CD 3.24Å; M618-P623 WeakPolarHBondContact O-CD 3.47Å; M618-A626 HydrophobicContact CG-CB 4.2Å; M618-A626 HydrophobicContact SD-CB 3.53Å; M618-A626 VanDerWaalsContact SD-CB 3.53Å; M618-L628 HydrophobicContact SD-CD2 4.22Å; M618-A647 HydrophobicContact CE-CB 3.73Å; M618-I652 HydrophobicContact CE-CD1 4.25Å; M618-I652 HydrophobicContact CG-CD1 4.1Å; M618-I652 HydrophobicContact SD-CD1 4.36Å
619	F	95.8	Very high	94.7	Very high	10 Å²	10	20.6 Å²	20.6	4%	0.044	9%	0.087	C	C	.	.	H	α-helix	trans	-68.9	-29.9	176	-72.3	-65	0	0	0	113.7	I579 I582 V583 M615 A616 R622 I643 A646 A647	I579-F619 HydrophobicContact CG1-CB 4.18Å; I579-F619 HydrophobicContact CG2-CB 3.97Å; I582-F619 HydrophobicContact CG2-CD2 4.1Å; I582-F619 HydrophobicContact CG2-CE1 4.13Å; I582-F619 HydrophobicContact CG2-CE2 3.65Å; I582-F619 HydrophobicContact CG2-CZ 3.67Å; V583-F619 HydrophobicContact CG1-CD2 3.83Å; V583-F619 HydrophobicContact CG1-CE2 3.81Å; M615-F619 WeakPolarHBondContact O-CD2 3.5Å; M615-F619 PolarHBondContact O-N 3.39Å; M615-F619 VanDerWaalsContact O-N 3.12Å; A616-F619 PolarHBondContact O-N 3.46Å; A616-F619 VanDerWaalsContact O-N 3.16Å; F619-R622 WeakPolarHBondContact O-CG 3.28Å; F619-I643 HydrophobicContact CE2-CG2 4.09Å; F619-I643 HydrophobicContact CZ-CG2 4.33Å; F619-A646 HydrophobicContact CE1-CB 4.2Å; F619-A646 HydrophobicContact CZ-CB 4.05Å; F619-A647 HydrophobicContact CE1-CB 4.1Å; F619-A647 HydrophobicContact CZ-CB 4.09Å
620	Y	95.4	Very high	94.6	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-70.6	-47.9	172.1	170.8	-104.7	0	0	0	112.1	I558 D561 M566 Y571 L576 A616 R617 M618	I558-Y620 HydrophobicContact CB-CD1 4.33Å; I558-Y620 HydrophobicContact CB-CE1 3.79Å; I558-Y620 HydrophobicContact CB-CE2 4.46Å; I558-Y620 HydrophobicContact CG2-CD2 4.31Å; I558-Y620 HydrophobicContact CG2-CE1 4.11Å; I558-Y620 HydrophobicContact CG2-CE2 3.89Å; I558-Y620 WeakPolarHBondContact O-CE1 3.36Å; D561-Y620 HydrophobicContact CB-CE1 4.25Å; D561-Y620 WeakPolarHBondContact OD2-CE1 3.32Å; D561-Y620 VanDerWaalsContact OD2-CZ 3.29Å; D561-Y620 PolarHBondContact OD2-OH 3.27Å; M566-Y620 VanDerWaalsContact CA-OH 3.26Å; M566-Y620 WeakPolarHBondContact CA-OH 3.35Å; M566-Y620 WeakPolarHBondContact CB-OH 3.38Å; M566-Y620 HydrophobicContact CG-CE2 4.12Å; Y571-Y620 HydrophobicContact CD1-CD2 4.46Å; Y571-Y620 HydrophobicContact CD1-CE2 4.46Å; Y571-Y620 HydrophobicContact CD2-CD2 4.03Å; Y571-Y620 AromaticContact CD2-CE2 3.43Å; Y571-Y620 HydrophobicContact CD2-CE2 3.43Å; Y571-Y620 VanDerWaalsContact CD2-CE2 3.43Å; Y571-Y620 HydrophobicContact CE2-CD2 4.15Å; Y571-Y620 AromaticContact CE2-CE2 3.89Å; Y571-Y620 HydrophobicContact CE2-CE2 3.89Å; Y571-Y620 HydrophobicContact CG-CD2 4.17Å; Y571-Y620 AromaticContact CG-CE2 3.75Å; Y571-Y620 HydrophobicContact CG-CE2 3.75Å; Y571-Y620 PolarHBondContact OH-O 3.46Å; L576-Y620 HydrophobicContact CD2-CD2 3.69Å; L576-Y620 HydrophobicContact CD2-CE2 4.12Å; A616-Y620 PolarHBondContact O-N 2.99Å; R617-Y620 PolarHBondContact O-N 3.35Å; M618-Y620 VanDerWaalsContact C-N 3.34Å
621	H	94	Very high	94.3	Very high	40 Å²	40	19.6 Å²	19.6	19%	0.185	8%	0.083	C	C	.	.	H	α-helix	trans	-77.5	-19.8	-178.1	-72.4	-67.2	0	0	0	114.6	F540 I558 Y559 P560 D561 K569 R617 M618	F540-H621 HydrophobicContact CD2-CB 4.16Å; F540-H621 HydrophobicContact CE2-CB 4.37Å; F540-H621 AromaticContact CE2-CD2 3.34Å; F540-H621 WeakPolarHBondContact CE2-CD2 3.36Å; F540-H621 AromaticContact CE2-CG 3.98Å; F540-H621 AromaticContact CZ-CD2 3.87Å; I558-H621 PolarHBondContact O-CE1 2.98Å; I558-H621 PolarHBondContact O-NE2 3.4Å; Y559-H621 PolarHBondContact O-NE2 2.94Å; Y559-H621 VanDerWaalsContact O-NE2 3.1Å; P560-H621 WeakPolarHBondContact CD-NE2 3.44Å; D561-H621 IonicContact OD1-CE1 3.49Å; D561-H621 PolarHBondContact OD1-CE1 2.74Å; D561-H621 IonicContact OD2-CE1 2.91Å; K569-H621 PolarHBondContact NZ-ND1 3.39Å; R617-H621 PolarHBondContact O-CD2 3.18Å; R617-H621 PolarHBondContact O-N 3.11Å; M618-H621 PolarHBondContact O-N 3.24Å
622	R	93.3	Very high	94.1	Very high	159 Å²	159	19.3 Å²	19.3	60%	0.6	8%	0.082	S	C	*	.			trans	45.1	57.7	178.6	-59.2	-172.8	179	168.7	0.4	113.8	Y571 M618 F619	Y571-R622 PolarHBondContact OH-NE 2.8Å; M618-R622 PolarHBondContact O-N 2.95Å; F619-R622 WeakPolarHBondContact O-CG 3.28Å
623	P	93.9	Very high	93.7	Very high	9 Å²	9	20.4 Å²	20.4	6%	0.058	10%	0.096	C	C	.	.			trans	-67.1	158	179.3	33.7	-39.7	0	0	0	111.7	F540 M618 I652	F540-P623 HydrophobicContact CB-CB 3.84Å; F540-P623 HydrophobicContact CB-CG 3.64Å; M618-P623 HydrophobicContact CG-CG 4.06Å; M618-P623 VanDerWaalsContact O-CD 3.24Å; M618-P623 WeakPolarHBondContact O-CD 3.47Å; P623-I652 HydrophobicContact CG-CG2 4.14Å
624	K	92.7	Very high	93.3	Very high	72 Å²	72	23.2 Å²	23.2	31%	0.313	12%	0.119	S	C	.	.	S	Bend	trans	-69.8	-37.8	165.2	-77.1	-157.5	167.5	-160.4	0	111.8	E499 R538 A653	E499-K624 WeakPolarHBondContact OE1-CD 3.29Å; E499-K624 WeakPolarHBondContact OE1-CE 3.41Å; E499-K624 IonicContact OE1-NZ 3.77Å; E499-K624 PolarHBondContact OE1-NZ 2.95Å; E499-K624 IonicContact OE2-NZ 3.31Å; R538-K624 HydrophobicContact CB-CB 4.4Å; R538-K624 PolarHBondContact O-N 2.9Å; K624-A653 WeakPolarHBondContact O-CB 3.41Å; K624-A653 PolarHBondContact O-N 3.36Å
625	Y	94.1	Very high	93.1	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124	-177.4	-64.7	-89.9	0	0	0	111.3	G473 I474 P534 R538 M539 F540 A653 L655	G473-Y625 WeakPolarHBondContact CA-OH 3.28Å; G473-Y625 PolarHBondContact N-OH 3.03Å; I474-Y625 HydrophobicContact CD1-CD1 4.03Å; I474-Y625 HydrophobicContact CD1-CE1 4.47Å; I474-Y625 HydrophobicContact CD1-CG 4.27Å; P534-Y625 HydrophobicContact CB-CD2 4.49Å; P534-Y625 HydrophobicContact CG-CD2 3.6Å; P534-Y625 HydrophobicContact CG-CE2 3.65Å; R538-Y625 PolarHBondContact O-N 3.45Å; R538-Y625 VanDerWaalsContact O-N 3.12Å; M539-Y625 CarbonylContact C-O 3.6Å; M539-Y625 VanDerWaalsContact CA-O 3.31Å; M539-Y625 WeakPolarHBondContact CA-O 3.26Å; F540-Y625 PolarHBondContact N-O 2.94Å; Y625-A653 WeakPolarHBondContact CA-O 3.4Å; Y625-A653 HydrophobicContact CD1-CB 3.56Å; Y625-A653 HydrophobicContact CE1-CB 3.75Å; Y625-A653 HydrophobicContact CG-CB 4.3Å; Y625-L655 HydrophobicContact CD1-CD1 3.84Å
626	A	94.9	Very high	92.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.7	172.7	0	0	0	0	0	110.9	M618 L628 I652 A653 L654 L655	M618-A626 HydrophobicContact CG-CB 4.2Å; M618-A626 HydrophobicContact SD-CB 3.53Å; M618-A626 VanDerWaalsContact SD-CB 3.53Å; A626-L628 HydrophobicContact CB-CD2 4.09Å; A626-L628 HydrophobicContact CB-CG 4.28Å; A626-I652 HydrophobicContact CB-CG2 3.68Å; A626-A653 PolarHBondContact N-O 3.18Å; A626-L654 HydrophobicContact CB-CD2 4.17Å; A626-L655 PolarHBondContact O-N 2.97Å
627	L	95.4	Very high	92.5	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.7	173.4	-64.3	164.6	0	0	0	108.4	F517 L520 M539 F540 Y541 I542 L655	F517-L627 HydrophobicContact CD1-CD2 3.67Å; F517-L627 HydrophobicContact CD2-CB 4.19Å; F517-L627 HydrophobicContact CE1-CD2 3.56Å; F517-L627 HydrophobicContact CE2-CB 4.22Å; F517-L627 HydrophobicContact CG-CB 4.42Å; F517-L627 HydrophobicContact CG-CD2 4.2Å; F517-L627 HydrophobicContact CZ-CB 4.45Å; F517-L627 HydrophobicContact CZ-CD2 4.04Å; L520-L627 HydrophobicContact CB-CD1 4.27Å; L520-L627 HydrophobicContact CB-CD2 4.49Å; L520-L627 HydrophobicContact CD1-CD2 3.87Å; M539-L627 HydrophobicContact CE-CD1 3.88Å; M539-L627 HydrophobicContact CE-CG 4.44Å; F540-L627 PolarHBondContact O-N 3.3Å; Y541-L627 WeakPolarHBondContact CA-O 3.23Å; Y541-L627 HydrophobicContact CD2-CB 3.78Å; Y541-L627 HydrophobicContact CD2-CD1 4.47Å; I542-L627 PolarHBondContact N-O 3.1Å; L627-L655 WeakPolarHBondContact CA-O 3.24Å; L627-L655 HydrophobicContact CD2-CB 4.02Å; L627-L655 HydrophobicContact CD2-CD2 3.83Å; L627-L655 HydrophobicContact CD2-CG 4.49Å
628	L	95.2	Very high	92.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	95.5	-168	-57.7	-178.3	0	0	0	111	I542 M615 M618 A626 E630 F644 L654 L655 S656 I657	I542-L628 HydrophobicContact CB-CD2 4.15Å; I542-L628 HydrophobicContact CD1-CD2 3.62Å; I542-L628 HydrophobicContact CG1-CD2 3.97Å; M615-L628 HydrophobicContact CE-CD1 4.46Å; M615-L628 HydrophobicContact CE-CD2 4.49Å; M615-L628 HydrophobicContact SD-CD2 4.47Å; M618-L628 HydrophobicContact SD-CD2 4.22Å; A626-L628 HydrophobicContact CB-CD2 4.09Å; A626-L628 HydrophobicContact CB-CG 4.28Å; L628-E630 PolarHBondContact O-N 3.05Å; L628-F644 HydrophobicContact CD1-CE1 3.9Å; L628-F644 HydrophobicContact CD1-CE2 4.42Å; L628-F644 HydrophobicContact CD1-CZ 3.64Å; L628-L654 HydrophobicContact CD1-CD2 4.3Å; L628-L655 PolarHBondContact N-O 3.18Å; L628-S656 WeakPolarHBondContact O-CA 3Å; L628-I657 PolarHBondContact O-N 3.22Å
629	D	94.3	Very high	91.9	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.032	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	90.5	-177.4	-166.9	32.9	0	0	0	110.1	S514 F517 Y541 I542 Q544 C631 I657	S514-D629 WeakPolarHBondContact CB-OD1 3.45Å; S514-D629 WeakPolarHBondContact CB-OD2 3.48Å; S514-D629 PolarHBondContact OG-OD1 2.93Å; S514-D629 PolarHBondContact OG-OD2 2.94Å; F517-D629 HydrophobicContact CD2-CB 4.12Å; Y541-D629 HydrophobicContact CE2-CB 4.12Å; Y541-D629 PolarHBondContact OH-OD2 3.44Å; I542-D629 PolarHBondContact O-N 3.04Å; Q544-D629 WeakPolarHBondContact CA-O 3.43Å; Q544-D629 WeakPolarHBondContact CB-O 3.37Å; Q544-D629 PolarHBondContact N-O 3.34Å; D629-C631 PolarHBondContact O-N 3.49Å; D629-I657 VanDerWaalsContact OD1-CD1 3.26Å; D629-I657 WeakPolarHBondContact OD1-CD1 3.46Å
630	E	91.3	Very high	91.7	Very high	37 Å²	37	37.4 Å²	37.4	17%	0.173	20%	0.201	C	C	.	.	S	Bend	trans	51.5	26.5	178.5	-62.7	-174.4	172.6	0	0	115.9	Q544 L628 T632 S633 I657 H659	Q544-E630 HydrophobicContact CG-CB 4.16Å; Q544-E630 PolarHBondContact NE2-OE2 3.06Å; L628-E630 PolarHBondContact O-N 3.05Å; E630-T632 PolarHBondContact O-N 2.98Å; E630-S633 WeakPolarHBondContact O-CB 3.36Å; E630-S633 PolarHBondContact O-N 3.22Å; E630-S633 VanDerWaalsContact O-N 3.14Å; E630-S633 PolarHBondContact O-OG 3.39Å; E630-I657 WeakPolarHBondContact CA-O 3.37Å; E630-I657 HydrophobicContact CG-CG2 4.01Å; E630-I657 WeakPolarHBondContact CG-O 3.36Å; E630-I657 PolarHBondContact N-O 2.9Å; E630-H659 IonicContact OE1-CD2 3.4Å; E630-H659 IonicContact OE1-NE2 2.77Å
631	C	88.8	Confident	91.5	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.02	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	4.4	-164.9	68.7	0	0	0	0	116.3	I542 Q611 M615 D629	I542-C631 HydrophobicContact CB-CB 4.15Å; I542-C631 HydrophobicContact CG2-CB 3.52Å; Q611-C631 VanDerWaalsContact CB-O 3.27Å; Q611-C631 WeakPolarHBondContact CB-O 3.27Å; Q611-C631 VanDerWaalsContact CD-O 3.27Å; Q611-C631 VanDerWaalsContact CG-O 3.29Å; Q611-C631 WeakPolarHBondContact CG-O 3.34Å; Q611-C631 PolarHBondContact OE1-O 2.92Å; M615-C631 HydrophobicContact SD-CB 4.48Å; D629-C631 PolarHBondContact O-N 3.49Å
632	T	89.9	Confident	91.4	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.025	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	10	173.9	56.5	0	0	0	0	113.3	Q611 E630 A634 V635 E640 F644 R660	Q611-T632 VanDerWaalsContact OE1-C 3.26Å; E630-T632 PolarHBondContact O-N 2.98Å; T632-A634 PolarHBondContact O-N 3.43Å; T632-A634 VanDerWaalsContact O-N 3.08Å; T632-V635 WeakPolarHBondContact O-CB 3.48Å; T632-V635 PolarHBondContact O-N 2.97Å; T632-E640 VanDerWaalsContact CB-OE1 3.25Å; T632-E640 WeakPolarHBondContact CB-OE1 3.34Å; T632-E640 HydrophobicContact CG2-CG 4.3Å; T632-E640 PolarHBondContact OG1-OE1 2.69Å; T632-F644 HydrophobicContact CG2-CE2 3.87Å; T632-R660 PolarHBondContact O-NH1 2.89Å; T632-R660 PolarHBondContact O-NH2 3.4Å
633	S	87.6	Confident	91.5	Very high	63 Å²	63	34 Å²	34	44%	0.441	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.1	-177.8	43.7	0	0	0	0	114.5	Q611 E630 R660	Q611-S633 PolarHBondContact NE2-OG 2.94Å; E630-S633 WeakPolarHBondContact O-CB 3.36Å; E630-S633 PolarHBondContact O-N 3.22Å; E630-S633 VanDerWaalsContact O-N 3.14Å; E630-S633 PolarHBondContact O-OG 3.39Å; S633-R660 PolarHBondContact O-NH2 3.19Å
634	A	86.6	Confident	91.5	Very high	58 Å²	58	33.7 Å²	33.7	48%	0.479	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	16.3	175.7	0	0	0	0	0	114	G608 T632	G608-A634 WeakPolarHBondContact CA-O 3.3Å; T632-A634 PolarHBondContact O-N 3.43Å; T632-A634 VanDerWaalsContact O-N 3.08Å
635	V	89.6	Confident	91.6	Very high	10 Å²	10	34 Å²	34	6%	0.061	19%	0.193	C	C	.	.	S	Bend	trans	-108.4	147.6	179.1	-176.1	0	0	0	0	110.1	Q611 R612 T632 V639 E640 R660	Q611-V635 HydrophobicContact CB-CG2 4.06Å; R612-V635 HydrophobicContact CG-CG1 4.39Å; R612-V635 HydrophobicContact CG-CG2 3.96Å; T632-V635 WeakPolarHBondContact O-CB 3.48Å; T632-V635 PolarHBondContact O-N 2.97Å; V635-V639 HydrophobicContact CG1-CB 3.91Å; V635-V639 HydrophobicContact CG1-CG1 3.83Å; V635-E640 HydrophobicContact CG1-CB 4.46Å; V635-R660 PolarHBondContact O-NH1 3.25Å; V635-R660 PolarHBondContact O-NH2 2.95Å
636	S	90.1	Very high	91.6	Very high	66 Å²	66	35.2 Å²	35.2	46%	0.462	20%	0.203	S	C	.	.			trans	-71.9	150.2	175.2	55.1	0	0	0	0	112.2	D638 V639 E640	S636-D638 VanDerWaalsContact C-N 3.3Å; S636-D638 PolarHBondContact O-N 3.25Å; S636-V639 PolarHBondContact O-N 2.75Å; S636-V639 WeakPolarHBondContact OG-CG2 3.32Å; S636-E640 VanDerWaalsContact O-CB 3.31Å; S636-E640 WeakPolarHBondContact O-CB 3.44Å; S636-E640 PolarHBondContact O-N 2.68Å
637	I	88.7	Confident	91.6	Very high	106 Å²	106	35.2 Å²	35.2	54%	0.544	20%	0.203	S	C	.	.	H	α-helix	trans	-61.2	-36.9	-171.3	-63	172.3	0	0	0	112.1	G641	I637-G641 PolarHBondContact O-N 3.43Å
638	D	87.4	Confident	91.5	Very high	124 Å²	124	37.8 Å²	37.8	66%	0.663	22%	0.215	S	C	*	.	H	α-helix	trans	-68.5	-37.1	-179.4	-46.3	-56.9	0	0	0	112.3	S636 K642	S636-D638 VanDerWaalsContact C-N 3.3Å; S636-D638 PolarHBondContact O-N 3.25Å; D638-K642 WeakPolarHBondContact O-CG 3.41Å; D638-K642 PolarHBondContact O-N 3.08Å
639	V	90.6	Very high	91.4	Very high	20 Å²	20	43.2 Å²	43.2	12%	0.121	24%	0.243	C	C	.	.	H	α-helix	trans	-77	-42.9	178.3	178.1	0	0	0	0	110.3	V635 S636 G641 K642 I643	V635-V639 HydrophobicContact CG1-CB 3.91Å; V635-V639 HydrophobicContact CG1-CG1 3.83Å; S636-V639 PolarHBondContact O-N 2.75Å; S636-V639 WeakPolarHBondContact OG-CG2 3.32Å; V639-G641 VanDerWaalsContact C-N 3.33Å; V639-G641 PolarHBondContact O-N 2.98Å; V639-K642 PolarHBondContact O-N 3.21Å; V639-I643 HydrophobicContact CG1-CD1 3.75Å; V639-I643 HydrophobicContact CG1-CG1 4.43Å; V639-I643 WeakPolarHBondContact O-CB 3.42Å; V639-I643 WeakPolarHBondContact O-CG1 3.43Å; V639-I643 PolarHBondContact O-N 2.93Å
640	E	92.5	Very high	91.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-52.2	-49.7	170.7	168.7	178.1	-94	0	0	111.3	T632 V635 S636 K642 I643 F644 R660 S662 L663	T632-E640 VanDerWaalsContact CB-OE1 3.25Å; T632-E640 WeakPolarHBondContact CB-OE1 3.34Å; T632-E640 HydrophobicContact CG2-CG 4.3Å; T632-E640 PolarHBondContact OG1-OE1 2.69Å; V635-E640 HydrophobicContact CG1-CB 4.46Å; S636-E640 VanDerWaalsContact O-CB 3.31Å; S636-E640 WeakPolarHBondContact O-CB 3.44Å; S636-E640 PolarHBondContact O-N 2.68Å; E640-K642 PolarHBondContact O-N 2.95Å; E640-I643 PolarHBondContact O-N 2.8Å; E640-F644 HydrophobicContact CG-CD2 4.4Å; E640-F644 WeakPolarHBondContact O-CD2 3.28Å; E640-F644 PolarHBondContact O-N 3Å; E640-R660 VanDerWaalsContact CD-NH1 3.27Å; E640-R660 WeakPolarHBondContact OE1-CD 3.32Å; E640-R660 IonicContact OE1-CZ 3.82Å; E640-R660 IonicContact OE1-NE 2.81Å; E640-R660 IonicContact OE1-NH1 3.04Å; E640-R660 PolarHBondContact OE1-NH1 3.07Å; E640-R660 IonicContact OE2-NH1 2.97Å; E640-R660 PolarHBondContact OE2-NH1 2.69Å; E640-S662 WeakPolarHBondContact OE2-CB 3.16Å; E640-S662 PolarHBondContact OE2-OG 3.3Å; E640-L663 HydrophobicContact CG-CD1 4.2Å; E640-L663 HydrophobicContact CG-CD2 3.57Å; E640-L663 HydrophobicContact CG-CG 3.99Å
641	G	90.8	Very high	91.4	Very high	10 Å²	10	47 Å²	47	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-39.1	-179.7	0	0	0	0	0	114.2	I637 V639 Q645 Y666	I637-G641 PolarHBondContact O-N 3.43Å; V639-G641 VanDerWaalsContact C-N 3.33Å; V639-G641 PolarHBondContact O-N 2.98Å; G641-Q645 WeakPolarHBondContact O-CB 3.39Å; G641-Q645 PolarHBondContact O-N 3.16Å; G641-Y666 WeakPolarHBondContact CA-OH 3.49Å; G641-Y666 VanDerWaalsContact O-CZ 3.3Å; G641-Y666 PolarHBondContact O-OH 3.34Å
642	K	92.6	Very high	91.6	Very high	117 Å²	117	47.1 Å²	47.1	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-46.5	174.8	-71.9	174.4	-170.6	-176.4	0	111.9	H584 D638 V639 E640 F644 Q645 A646	H584-K642 VanDerWaalsContact NE2-CD 3.27Å; H584-K642 WeakPolarHBondContact NE2-CD 3.48Å; H584-K642 PolarHBondContact NE2-NZ 2.97Å; H584-K642 VanDerWaalsContact NE2-NZ 3.17Å; D638-K642 WeakPolarHBondContact O-CG 3.41Å; D638-K642 PolarHBondContact O-N 3.08Å; V639-K642 PolarHBondContact O-N 3.21Å; E640-K642 PolarHBondContact O-N 2.95Å; K642-F644 PolarHBondContact O-N 2.66Å; K642-Q645 PolarHBondContact O-N 2.98Å; K642-A646 WeakPolarHBondContact O-CB 3.43Å; K642-A646 PolarHBondContact O-N 3.47Å
643	I	94.4	Very high	91.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-44.4	179.8	-71.9	171.9	0	0	0	110.8	V583 R612 M615 F619 V639 E640 A646 A647	V583-I643 HydrophobicContact CB-CD1 4.14Å; V583-I643 HydrophobicContact CG1-CD1 4.22Å; V583-I643 HydrophobicContact CG1-CG1 4.4Å; R612-I643 HydrophobicContact CG-CD1 4.11Å; M615-I643 HydrophobicContact CB-CG2 4.13Å; M615-I643 HydrophobicContact CE-CG2 3.44Å; M615-I643 VanDerWaalsContact CE-CG2 3.44Å; M615-I643 HydrophobicContact CG-CG2 4.08Å; F619-I643 HydrophobicContact CE2-CG2 4.09Å; F619-I643 HydrophobicContact CZ-CG2 4.33Å; V639-I643 HydrophobicContact CG1-CD1 3.75Å; V639-I643 HydrophobicContact CG1-CG1 4.43Å; V639-I643 WeakPolarHBondContact O-CB 3.42Å; V639-I643 WeakPolarHBondContact O-CG1 3.43Å; V639-I643 PolarHBondContact O-N 2.93Å; E640-I643 PolarHBondContact O-N 2.8Å; I643-A646 PolarHBondContact O-N 3.17Å; I643-A647 WeakPolarHBondContact O-CB 3.45Å; I643-A647 PolarHBondContact O-N 3.41Å
644	F	94.5	Very high	92.2	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-36.7	176.8	-92.4	-105.6	0	0	0	112.6	M615 L628 T632 E640 K642 K648 L654 L663 Y666 H667	M615-F644 HydrophobicContact CE-CE2 4.16Å; L628-F644 HydrophobicContact CD1-CE1 3.9Å; L628-F644 HydrophobicContact CD1-CE2 4.42Å; L628-F644 HydrophobicContact CD1-CZ 3.64Å; T632-F644 HydrophobicContact CG2-CE2 3.87Å; E640-F644 HydrophobicContact CG-CD2 4.4Å; E640-F644 WeakPolarHBondContact O-CD2 3.28Å; E640-F644 PolarHBondContact O-N 3Å; K642-F644 PolarHBondContact O-N 2.66Å; F644-K648 WeakPolarHBondContact O-CG 3.29Å; F644-K648 PolarHBondContact O-N 2.97Å; F644-L654 HydrophobicContact CD1-CD1 3.59Å; F644-L654 HydrophobicContact CE1-CD1 4.04Å; F644-L654 HydrophobicContact CG-CD1 4.44Å; F644-L663 HydrophobicContact CB-CD2 4.18Å; F644-L663 HydrophobicContact CD1-CD2 3.7Å; F644-L663 HydrophobicContact CD2-CD2 3.52Å; F644-L663 HydrophobicContact CE1-CD1 4.42Å; F644-L663 HydrophobicContact CE1-CD2 3.89Å; F644-L663 HydrophobicContact CE2-CD1 4.08Å; F644-L663 HydrophobicContact CE2-CD2 3.71Å; F644-L663 HydrophobicContact CG-CD2 3.51Å; F644-L663 HydrophobicContact CZ-CD1 3.92Å; F644-L663 HydrophobicContact CZ-CD2 3.89Å; F644-Y666 HydrophobicContact CB-CD1 4.11Å; F644-Y666 HydrophobicContact CB-CD2 3.8Å; F644-Y666 HydrophobicContact CB-CE1 4.35Å; F644-Y666 HydrophobicContact CB-CE2 4.07Å; F644-Y666 HydrophobicContact CB-CG 3.84Å; F644-Y666 HydrophobicContact CD1-CD2 4.43Å; F644-Y666 HydrophobicContact CD1-CG 4.42Å; F644-Y666 HydrophobicContact CG-CD2 4.35Å; F644-H667 AromaticContact CE1-CE1 3.71Å; F644-H667 AromaticContact CE1-NE2 3.99Å
645	Q	94	Very high	92.6	Very high	78 Å²	78	41.5 Å²	41.5	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-65.5	-51.3	174.3	-170.9	56.7	49.7	0	0	111.3	G641 K642 A647 K648 D649 Y666	G641-Q645 WeakPolarHBondContact O-CB 3.39Å; G641-Q645 PolarHBondContact O-N 3.16Å; K642-Q645 PolarHBondContact O-N 2.98Å; Q645-A647 PolarHBondContact O-N 2.91Å; Q645-K648 WeakPolarHBondContact O-CA 3.34Å; Q645-K648 WeakPolarHBondContact O-CB 3.11Å; Q645-K648 PolarHBondContact O-N 3.4Å; Q645-D649 WeakPolarHBondContact CG-OD2 3.47Å; Q645-D649 PolarHBondContact NE2-OD1 2.95Å; Q645-D649 PolarHBondContact O-N 3.27Å; Q645-Y666 HydrophobicContact CB-CE1 3.97Å
646	A	94.9	Very high	92.8	Very high	26 Å²	26	41.1 Å²	41.1	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-33.9	178.9	0	0	0	0	0	113	I582 F619 K642 I643 D649 A650	I582-A646 HydrophobicContact CG2-CB 3.88Å; F619-A646 HydrophobicContact CE1-CB 4.2Å; F619-A646 HydrophobicContact CZ-CB 4.05Å; K642-A646 WeakPolarHBondContact O-CB 3.43Å; K642-A646 PolarHBondContact O-N 3.47Å; I643-A646 PolarHBondContact O-N 3.17Å; A646-D649 PolarHBondContact O-N 2.89Å; A646-A650 VanDerWaalsContact O-CB 3.3Å; A646-A650 WeakPolarHBondContact O-CB 3.29Å; A646-A650 PolarHBondContact O-N 2.87Å
647	A	94.9	Very high	93.1	Very high	1 Å²	1	38 Å²	38	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-68.1	-36.4	174.3	0	0	0	0	0	112.7	M618 F619 I643 Q645 I652 L654	M618-A647 HydrophobicContact CE-CB 3.73Å; F619-A647 HydrophobicContact CE1-CB 4.1Å; F619-A647 HydrophobicContact CZ-CB 4.09Å; I643-A647 WeakPolarHBondContact O-CB 3.45Å; I643-A647 PolarHBondContact O-N 3.41Å; Q645-A647 PolarHBondContact O-N 2.91Å; A647-I652 HydrophobicContact CB-CD1 4.48Å; A647-I652 VanDerWaalsContact O-CB 3.27Å; A647-I652 WeakPolarHBondContact O-CB 3.32Å; A647-I652 WeakPolarHBondContact O-CG1 3.35Å; A647-I652 PolarHBondContact O-N 3.07Å; A647-L654 HydrophobicContact CB-CD1 4.4Å; A647-L654 HydrophobicContact CB-CD2 4.02Å
648	K	93.1	Very high	93.1	Very high	56 Å²	56	33.4 Å²	33.4	24%	0.243	20%	0.199	C	C	.	.	H	α-helix	trans	-70	-41.3	172.8	-66.9	-175.1	64.2	167.2	0	112	H502 F644 Q645 A650 G651 L654 Y666	H502-K648 WeakPolarHBondContact NE2-CE 3.49Å; F644-K648 WeakPolarHBondContact O-CG 3.29Å; F644-K648 PolarHBondContact O-N 2.97Å; Q645-K648 WeakPolarHBondContact O-CA 3.34Å; Q645-K648 WeakPolarHBondContact O-CB 3.11Å; Q645-K648 PolarHBondContact O-N 3.4Å; K648-A650 PolarHBondContact O-N 3.03Å; K648-G651 WeakPolarHBondContact O-CA 3.1Å; K648-G651 PolarHBondContact O-N 3.47Å; K648-L654 HydrophobicContact CG-CD1 3.86Å; K648-Y666 HydrophobicContact CD-CD1 4.13Å; K648-Y666 WeakPolarHBondContact CD-O 3.33Å; K648-Y666 PolarHBondContact NZ-O 3.4Å
649	D	93.4	Very high	93	Very high	116 Å²	116	32 Å²	32	62%	0.62	19%	0.188	S	C	*	.	H	α-helix	trans	-65.4	-31.5	178.2	-57.8	-26.7	0	0	0	111.4	Q645 A646 G651	Q645-D649 WeakPolarHBondContact CG-OD2 3.47Å; Q645-D649 PolarHBondContact NE2-OD1 2.95Å; Q645-D649 PolarHBondContact O-N 3.27Å; A646-D649 PolarHBondContact O-N 2.89Å; D649-G651 PolarHBondContact O-N 2.99Å
650	A	92.1	Very high	92.8	Very high	62 Å²	62	34 Å²	34	51%	0.512	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	3.4	169.5	0	0	0	0	0	114.5	A646 K648 I652	A646-A650 VanDerWaalsContact O-CB 3.3Å; A646-A650 WeakPolarHBondContact O-CB 3.29Å; A646-A650 PolarHBondContact O-N 2.87Å; K648-A650 PolarHBondContact O-N 3.03Å; A650-I652 HydrophobicContact CB-CD1 4.33Å; A650-I652 HydrophobicContact CB-CG1 4.23Å
651	G	91.9	Very high	92.4	Very high	62 Å²	62	37 Å²	37	64%	0.639	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	13.3	177	0	0	0	0	0	115.6	K648 D649	K648-G651 WeakPolarHBondContact O-CA 3.1Å; K648-G651 PolarHBondContact O-N 3.47Å; D649-G651 PolarHBondContact O-N 2.99Å
652	I	94.1	Very high	92.2	Very high	4 Å²	4	38 Å²	38	2%	0.021	22%	0.218	C	C	.	.			trans	-82	121	-176	-50.7	176.7	0	0	0	109.9	H502 M618 P623 A626 A647 A650 L654	H502-I652 PolarHBondContact CE1-O 3.48Å; H502-I652 VanDerWaalsContact CE1-O 3.31Å; M618-I652 HydrophobicContact CE-CD1 4.25Å; M618-I652 HydrophobicContact CG-CD1 4.1Å; M618-I652 HydrophobicContact SD-CD1 4.36Å; P623-I652 HydrophobicContact CG-CG2 4.14Å; A626-I652 HydrophobicContact CB-CG2 3.68Å; A647-I652 HydrophobicContact CB-CD1 4.48Å; A647-I652 VanDerWaalsContact O-CB 3.27Å; A647-I652 WeakPolarHBondContact O-CB 3.32Å; A647-I652 WeakPolarHBondContact O-CG1 3.35Å; A647-I652 PolarHBondContact O-N 3.07Å; A650-I652 HydrophobicContact CB-CD1 4.33Å; A650-I652 HydrophobicContact CB-CG1 4.23Å; I652-L654 HydrophobicContact CB-CD2 4.24Å; I652-L654 HydrophobicContact CG2-CD2 3.95Å; I652-L654 PolarHBondContact O-N 3.44Å
653	A	94.3	Very high	92	Very high	5 Å²	5	32.4 Å²	32.4	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.1	170.8	0	0	0	0	0	109.8	K624 Y625 A626	K624-A653 WeakPolarHBondContact O-CB 3.41Å; K624-A653 PolarHBondContact O-N 3.36Å; Y625-A653 WeakPolarHBondContact CA-O 3.4Å; Y625-A653 HydrophobicContact CD1-CB 3.56Å; Y625-A653 HydrophobicContact CE1-CB 3.75Å; Y625-A653 HydrophobicContact CG-CB 4.3Å; A626-A653 PolarHBondContact N-O 3.18Å
654	L	94.8	Very high	91.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.7	-170.8	-55	-177.3	0	0	0	110.3	H502 L503 A626 L628 F644 A647 K648 I652	H502-L654 CarbonylContact C-O 3.58Å; H502-L654 VanDerWaalsContact CA-O 3.3Å; H502-L654 WeakPolarHBondContact CA-O 3.31Å; H502-L654 HydrophobicContact CB-CB 4.48Å; H502-L654 PolarHBondContact ND1-N 2.75Å; L503-L654 PolarHBondContact N-O 2.94Å; A626-L654 HydrophobicContact CB-CD2 4.17Å; L628-L654 HydrophobicContact CD1-CD2 4.3Å; F644-L654 HydrophobicContact CD1-CD1 3.59Å; F644-L654 HydrophobicContact CE1-CD1 4.04Å; F644-L654 HydrophobicContact CG-CD1 4.44Å; A647-L654 HydrophobicContact CB-CD1 4.4Å; A647-L654 HydrophobicContact CB-CD2 4.02Å; K648-L654 HydrophobicContact CG-CD1 3.86Å; I652-L654 HydrophobicContact CB-CD2 4.24Å; I652-L654 HydrophobicContact CG2-CD2 3.95Å; I652-L654 PolarHBondContact O-N 3.44Å
655	L	95.6	Very high	91.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	102.7	169.1	-74	76	0	0	0	106.7	I474 V497 L503 F517 L520 Y625 A626 L627 L628	I474-L655 HydrophobicContact CD1-CD1 4.47Å; I474-L655 HydrophobicContact CD1-CD2 3.83Å; V497-L655 HydrophobicContact CG1-CD1 4.43Å; L503-L655 HydrophobicContact CB-CG 4.21Å; L503-L655 WeakPolarHBondContact O-CA 3.4Å; F517-L655 HydrophobicContact CE1-CB 4.27Å; F517-L655 HydrophobicContact CZ-CB 4.1Å; F517-L655 VanDerWaalsContact CZ-O 3.28Å; F517-L655 WeakPolarHBondContact CZ-O 3.14Å; L520-L655 HydrophobicContact CD1-CD2 4.39Å; Y625-L655 HydrophobicContact CD1-CD1 3.84Å; A626-L655 PolarHBondContact O-N 2.97Å; L627-L655 WeakPolarHBondContact CA-O 3.24Å; L627-L655 HydrophobicContact CD2-CB 4.02Å; L627-L655 HydrophobicContact CD2-CD2 3.83Å; L627-L655 HydrophobicContact CD2-CG 4.49Å; L628-L655 PolarHBondContact N-O 3.18Å
656	S	95.2	Very high	91.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.7	-175.9	75.1	0	0	0	0	113.7	L503 I505 L628 H667	L503-S656 PolarHBondContact O-N 2.94Å; I505-S656 WeakPolarHBondContact CB-O 3.07Å; I505-S656 PolarHBondContact N-O 3.31Å; L628-S656 WeakPolarHBondContact O-CA 3Å; S656-H667 PolarHBondContact OG-CE1 2.88Å; S656-H667 PolarHBondContact OG-NE2 2.95Å
657	I	94.9	Very high	91.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.4	164.5	-63.3	162.6	0	0	0	106.5	I505 K513 F517 L628 D629 E630	I505-I657 HydrophobicContact CB-CG1 3.89Å; I505-I657 HydrophobicContact CD1-CG1 4.31Å; I505-I657 HydrophobicContact CG2-CG1 4.06Å; K513-I657 VanDerWaalsContact C-CD1 3.44Å; K513-I657 HydrophobicContact CB-CD1 3.84Å; K513-I657 HydrophobicContact CB-CG1 4.13Å; K513-I657 HydrophobicContact CB-CG2 3.97Å; K513-I657 HydrophobicContact CD-CG2 3.91Å; K513-I657 WeakPolarHBondContact O-CD1 3.5Å; F517-I657 HydrophobicContact CD1-CD1 4.34Å; F517-I657 HydrophobicContact CD2-CD1 3.42Å; F517-I657 VanDerWaalsContact CD2-CD1 3.42Å; F517-I657 HydrophobicContact CD2-CG1 4.18Å; F517-I657 HydrophobicContact CE1-CD1 4.35Å; F517-I657 HydrophobicContact CE1-CG1 4.47Å; F517-I657 HydrophobicContact CE2-CB 4.45Å; F517-I657 HydrophobicContact CE2-CD1 3.41Å; F517-I657 VanDerWaalsContact CE2-CD1 3.41Å; F517-I657 HydrophobicContact CE2-CG1 3.62Å; F517-I657 HydrophobicContact CG-CD1 3.92Å; F517-I657 HydrophobicContact CZ-CD1 3.91Å; F517-I657 HydrophobicContact CZ-CG1 3.8Å; L628-I657 PolarHBondContact O-N 3.22Å; D629-I657 VanDerWaalsContact OD1-CD1 3.26Å; D629-I657 WeakPolarHBondContact OD1-CD1 3.46Å; E630-I657 WeakPolarHBondContact CA-O 3.37Å; E630-I657 HydrophobicContact CG-CG2 4.01Å; E630-I657 WeakPolarHBondContact CG-O 3.36Å; E630-I657 PolarHBondContact N-O 2.9Å
658	T	89.9	Confident	91.1	Very high	9 Å²	9	38 Å²	38	6%	0.055	22%	0.215	C	C	.	.			trans	-158.6	151.8	176.9	-175.3	0	0	0	0	112.2	L504 I505 R660 L663	L504-T658 HydrophobicContact CD1-CG2 3.39Å; I505-T658 PolarHBondContact O-N 3.36Å; T658-R660 PolarHBondContact OG1-N 3.27Å; T658-R660 VanDerWaalsContact OG1-N 3.13Å; T658-L663 HydrophobicContact CG2-CB 4.08Å; T658-L663 HydrophobicContact CG2-CD1 3.79Å
659	H	85.4	Confident	91.1	Very high	94 Å²	94	36.8 Å²	36.8	44%	0.435	21%	0.21	S	C	.	.			trans	-102.9	-2.1	173.3	-69.6	-90.6	0	0	0	112.7	G507 K513 E630 P661	G507-H659 PolarHBondContact O-CE1 2.67Å; K513-H659 PolarHBondContact NZ-NE2 3.34Å; E630-H659 IonicContact OE1-CD2 3.4Å; E630-H659 IonicContact OE1-NE2 2.77Å; H659-P661 WeakPolarHBondContact O-CD 3.39Å
660	R	85.9	Confident	91.1	Very high	61 Å²	61	31.3 Å²	31.3	23%	0.23	18%	0.18	C	C	.	.			trans	-84.2	121.9	-175	-67.8	-179.4	164.8	-156.6	-1.6	112.3	T632 S633 V635 E640 T658 S662 L663	T632-R660 PolarHBondContact O-NH1 2.89Å; T632-R660 PolarHBondContact O-NH2 3.4Å; S633-R660 PolarHBondContact O-NH2 3.19Å; V635-R660 PolarHBondContact O-NH1 3.25Å; V635-R660 PolarHBondContact O-NH2 2.95Å; E640-R660 VanDerWaalsContact CD-NH1 3.27Å; E640-R660 WeakPolarHBondContact OE1-CD 3.32Å; E640-R660 IonicContact OE1-CZ 3.82Å; E640-R660 IonicContact OE1-NE 2.81Å; E640-R660 IonicContact OE1-NH1 3.04Å; E640-R660 PolarHBondContact OE1-NH1 3.07Å; E640-R660 IonicContact OE2-NH1 2.97Å; E640-R660 PolarHBondContact OE2-NH1 2.69Å; T658-R660 PolarHBondContact OG1-N 3.27Å; T658-R660 VanDerWaalsContact OG1-N 3.13Å; R660-S662 VanDerWaalsContact C-N 3.25Å; R660-S662 WeakPolarHBondContact CB-OG 3.31Å; R660-S662 PolarHBondContact O-N 3.5Å; R660-L663 PolarHBondContact O-N 3.11Å
661	P	84.5	Confident	91.2	Very high	65 Å²	65	28.3 Å²	28.3	42%	0.422	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-63.9	-25.9	177	-24	35.5	0	0	0	114.6	H659 L663 W664 L690	H659-P661 WeakPolarHBondContact O-CD 3.39Å; P661-L663 PolarHBondContact O-N 3.24Å; P661-W664 HydrophobicContact CB-CD2 4.21Å; P661-W664 HydrophobicContact CB-CE3 4.4Å; P661-W664 HydrophobicContact CB-CH2 4.33Å; P661-W664 HydrophobicContact CB-CZ2 4.15Å; P661-W664 HydrophobicContact CB-CZ3 4.45Å; P661-W664 HydrophobicContact CG-CH2 4.45Å; P661-W664 HydrophobicContact CG-CZ2 4.14Å; P661-W664 WeakPolarHBondContact O-CB 3.2Å; P661-W664 PolarHBondContact O-N 3.07Å; P661-W664 VanDerWaalsContact O-N 3.09Å; P661-L690 HydrophobicContact CB-CD2 4.41Å
662	S	85.5	Confident	91.3	Very high	30 Å²	30	28.7 Å²	28.7	21%	0.21	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-50.3	-30.6	174.4	50.4	0	0	0	0	113.6	E640 R660 K665	E640-S662 WeakPolarHBondContact OE2-CB 3.16Å; E640-S662 PolarHBondContact OE2-OG 3.3Å; R660-S662 VanDerWaalsContact C-N 3.25Å; R660-S662 WeakPolarHBondContact CB-OG 3.31Å; R660-S662 PolarHBondContact O-N 3.5Å; S662-K665 VanDerWaalsContact O-CE 3.31Å; S662-K665 WeakPolarHBondContact O-CE 3.34Å
663	L	88.5	Confident	91.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-90.3	-11.2	-175.1	-72.3	176.1	0	0	0	114.5	E640 F644 T658 R660 P661 K665 Y666 H667	E640-L663 HydrophobicContact CG-CD1 4.2Å; E640-L663 HydrophobicContact CG-CD2 3.57Å; E640-L663 HydrophobicContact CG-CG 3.99Å; F644-L663 HydrophobicContact CB-CD2 4.18Å; F644-L663 HydrophobicContact CD1-CD2 3.7Å; F644-L663 HydrophobicContact CD2-CD2 3.52Å; F644-L663 HydrophobicContact CE1-CD1 4.42Å; F644-L663 HydrophobicContact CE1-CD2 3.89Å; F644-L663 HydrophobicContact CE2-CD1 4.08Å; F644-L663 HydrophobicContact CE2-CD2 3.71Å; F644-L663 HydrophobicContact CG-CD2 3.51Å; F644-L663 HydrophobicContact CZ-CD1 3.92Å; F644-L663 HydrophobicContact CZ-CD2 3.89Å; T658-L663 HydrophobicContact CG2-CB 4.08Å; T658-L663 HydrophobicContact CG2-CD1 3.79Å; R660-L663 PolarHBondContact O-N 3.11Å; P661-L663 PolarHBondContact O-N 3.24Å; L663-K665 VanDerWaalsContact C-N 3.32Å; L663-K665 PolarHBondContact O-N 3.34Å; L663-Y666 HydrophobicContact CD2-CD2 3.83Å; L663-Y666 HydrophobicContact CD2-CE2 4.2Å; L663-Y666 PolarHBondContact O-N 3.48Å; L663-Y666 VanDerWaalsContact O-N 3.15Å; L663-H667 PolarHBondContact O-ND1 3.38Å
664	W	88.4	Confident	90.9	Very high	30 Å²	30	32.4 Å²	32.4	11%	0.114	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60	-41.4	-175.3	-65	-1	0	0	0	112.3	L504 P661 Y666 H667 L684 R689 L690	L504-W664 HydrophobicContact CD2-CG 4.03Å; P661-W664 HydrophobicContact CB-CD2 4.21Å; P661-W664 HydrophobicContact CB-CE3 4.4Å; P661-W664 HydrophobicContact CB-CH2 4.33Å; P661-W664 HydrophobicContact CB-CZ2 4.15Å; P661-W664 HydrophobicContact CB-CZ3 4.45Å; P661-W664 HydrophobicContact CG-CH2 4.45Å; P661-W664 HydrophobicContact CG-CZ2 4.14Å; P661-W664 WeakPolarHBondContact O-CB 3.2Å; P661-W664 PolarHBondContact O-N 3.07Å; P661-W664 VanDerWaalsContact O-N 3.09Å; W664-Y666 PolarHBondContact O-N 3.35Å; W664-Y666 VanDerWaalsContact O-N 3.12Å; W664-H667 PolarHBondContact O-N 3.09Å; W664-L684 HydrophobicContact CB-CD2 4.37Å; W664-L684 WeakPolarHBondContact O-CD2 3.35Å; W664-R689 HydrophobicContact CE3-CB 4.26Å; W664-R689 HydrophobicContact CE3-CG 4.18Å; W664-R689 HydrophobicContact CH2-CG 4.23Å; W664-R689 HydrophobicContact CZ3-CB 4.13Å; W664-R689 HydrophobicContact CZ3-CG 3.74Å; W664-L690 HydrophobicContact CE3-CD2 4.12Å; W664-L690 HydrophobicContact CE3-CG 4.13Å; W664-L690 HydrophobicContact CZ3-CD2 4.25Å; W664-L690 HydrophobicContact CZ3-CG 4.44Å
665	K	88.6	Confident	90.4	Very high	128 Å²	128	34.4 Å²	34.4	56%	0.557	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-60	-18.6	178	62.4	178	176.5	170.3	0	115.5	S662 L663	S662-K665 VanDerWaalsContact O-CE 3.31Å; S662-K665 WeakPolarHBondContact O-CE 3.34Å; L663-K665 VanDerWaalsContact C-N 3.32Å; L663-K665 PolarHBondContact O-N 3.34Å
666	Y	90.5	Very high	89.8	Confident	19 Å²	19	42.4 Å²	42.4	8%	0.075	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-86.4	-17.3	176.7	-61.4	-70.1	0	0	0	112.7	G641 F644 Q645 K648 L663 W664	G641-Y666 WeakPolarHBondContact CA-OH 3.49Å; G641-Y666 VanDerWaalsContact O-CZ 3.3Å; G641-Y666 PolarHBondContact O-OH 3.34Å; F644-Y666 HydrophobicContact CB-CD1 4.11Å; F644-Y666 HydrophobicContact CB-CD2 3.8Å; F644-Y666 HydrophobicContact CB-CE1 4.35Å; F644-Y666 HydrophobicContact CB-CE2 4.07Å; F644-Y666 HydrophobicContact CB-CG 3.84Å; F644-Y666 HydrophobicContact CD1-CD2 4.43Å; F644-Y666 HydrophobicContact CD1-CG 4.42Å; F644-Y666 HydrophobicContact CG-CD2 4.35Å; Q645-Y666 HydrophobicContact CB-CE1 3.97Å; K648-Y666 HydrophobicContact CD-CD1 4.13Å; K648-Y666 WeakPolarHBondContact CD-O 3.33Å; K648-Y666 PolarHBondContact NZ-O 3.4Å; L663-Y666 HydrophobicContact CD2-CD2 3.83Å; L663-Y666 HydrophobicContact CD2-CE2 4.2Å; L663-Y666 PolarHBondContact O-N 3.48Å; L663-Y666 VanDerWaalsContact O-N 3.15Å; W664-Y666 PolarHBondContact O-N 3.35Å; W664-Y666 VanDerWaalsContact O-N 3.12Å
667	H	93.4	Very high	89.2	Confident	9 Å²	9	43 Å²	43	4%	0.042	23%	0.225	C	C	.	.			trans	-102.1	159.2	-173.7	-60.6	86.8	0	0	0	112.2	L503 L504 F644 S656 L663 W664 L684	L503-H667 VanDerWaalsContact C-CD2 3.45Å; L503-H667 PolarHBondContact O-CD2 3.14Å; L504-H667 HydrophobicContact CB-CB 3.8Å; F644-H667 AromaticContact CE1-CE1 3.71Å; F644-H667 AromaticContact CE1-NE2 3.99Å; S656-H667 PolarHBondContact OG-CE1 2.88Å; S656-H667 PolarHBondContact OG-NE2 2.95Å; L663-H667 PolarHBondContact O-ND1 3.38Å; W664-H667 PolarHBondContact O-N 3.09Å; H667-L684 HydrophobicContact CB-CD2 4.02Å
668	T	92.6	Very high	88.8	Confident	41 Å²	41	44.1 Å²	44.1	25%	0.252	24%	0.237	S	C	.	.	S	Bend	trans	-117.2	-25.8	-173.3	60	0	0	0	0	113.1	H502 K683 L684	H502-T668 HydrophobicContact CB-CG2 4.32Å; H502-T668 PolarHBondContact N-OG1 3.16Å; H502-T668 PolarHBondContact O-N 3.39Å; H502-T668 PolarHBondContact O-OG1 3.16Å; T668-K683 WeakPolarHBondContact O-CG 3.49Å; T668-L684 PolarHBondContact O-N 3.14Å
669	H	94.2	Very high	88.9	Confident	30 Å²	30	47.2 Å²	47.2	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.5	-178.2	-66.2	86	0	0	0	109.1	H502 L503 L504 F681 E682	H502-H669 PolarHBondContact O-N 3.31Å; H502-H669 VanDerWaalsContact O-N 3.1Å; L503-H669 HydrophobicContact CD1-CB 3.98Å; L504-H669 PolarHBondContact N-O 2.89Å; H669-F681 HydrophobicContact CB-CE2 4.39Å; H669-F681 HydrophobicContact CB-CZ 4.36Å; H669-E682 CarbonylContact C-O 3.58Å; H669-E682 WeakPolarHBondContact CA-O 3.34Å
670	L	93.2	Very high	89.3	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.2	179.1	-179.6	67.4	0	0	0	110.2	L504 T506 Q672 F681 E682 L684 R689	L504-L670 HydrophobicContact CB-CD1 3.93Å; L504-L670 HydrophobicContact CD2-CD1 3.83Å; L504-L670 HydrophobicContact CG-CD1 3.65Å; L504-L670 CarbonylContact O-C 3.56Å; L504-L670 WeakPolarHBondContact O-CA 3.21Å; T506-L670 HydrophobicContact CG2-CD1 3.85Å; L670-Q672 HydrophobicContact CD2-CB 4.25Å; L670-Q672 HydrophobicContact CG-CB 4.31Å; L670-F681 WeakPolarHBondContact O-CA 3.49Å; L670-E682 HydrophobicContact CB-CG 4.02Å; L670-E682 HydrophobicContact CD2-CG 4.39Å; L670-E682 WeakPolarHBondContact CD2-OE1 3.01Å; L670-E682 PolarHBondContact N-O 3.16Å; L670-E682 PolarHBondContact O-N 3.49Å; L670-L684 HydrophobicContact CB-CB 4.48Å; L670-L684 HydrophobicContact CB-CD1 4.46Å; L670-R689 VanDerWaalsContact CD2-NH2 3.33Å
671	L	94.4	Very high	89.6	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110	161.3	177.6	60.8	0	0	0	108.2	L493 I495 L503 L504 I505 T506 L516 F673 W679 K680 F681	L493-L671 HydrophobicContact CD1-CD1 4.33Å; I495-L671 HydrophobicContact CD1-CD2 4.2Å; I495-L671 HydrophobicContact CG2-CD1 4.08Å; I495-L671 HydrophobicContact CG2-CD2 4.49Å; L503-L671 HydrophobicContact CD1-CB 4Å; L503-L671 HydrophobicContact CD2-CB 4.37Å; L503-L671 HydrophobicContact CG-CB 4.47Å; L504-L671 PolarHBondContact O-N 2.83Å; I505-L671 WeakPolarHBondContact CA-O 3.35Å; I505-L671 HydrophobicContact CD1-CD2 4.48Å; I505-L671 HydrophobicContact CG1-CB 4.34Å; T506-L671 PolarHBondContact N-O 3.32Å; L516-L671 HydrophobicContact CD2-CD2 3.86Å; L671-F673 HydrophobicContact CD2-CE2 3.86Å; L671-F673 HydrophobicContact CD2-CZ 3.79Å; L671-F673 HydrophobicContact CG-CE2 3.97Å; L671-F673 HydrophobicContact CG-CZ 4.13Å; L671-W679 HydrophobicContact CD1-CB 4.18Å; L671-W679 HydrophobicContact CD1-CE3 4.06Å; L671-K680 CarbonylContact C-O 3.59Å; L671-K680 WeakPolarHBondContact CA-O 3.36Å; L671-F681 HydrophobicContact CB-CD2 4.43Å
672	Q	92.8	Very high	90	Very high	70 Å²	70	50.7 Å²	50.7	33%	0.327	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.9	177.7	179.3	169.1	-14.2	0	0	110.1	T506 L670 W679 K680	T506-Q672 HydrophobicContact CG2-CB 3.97Å; T506-Q672 HydrophobicContact CG2-CG 3.88Å; T506-Q672 WeakPolarHBondContact O-CA 3.4Å; L670-Q672 HydrophobicContact CD2-CB 4.25Å; L670-Q672 HydrophobicContact CG-CB 4.31Å; Q672-W679 CarbonylContact O-C 3.55Å; Q672-W679 VanDerWaalsContact O-CA 3.27Å; Q672-W679 WeakPolarHBondContact O-CA 3.43Å; Q672-K680 PolarHBondContact N-O 3.42Å; Q672-K680 PolarHBondContact O-N 2.96Å
673	F	92.2	Very high	90.2	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	142.4	168.2	-64.6	-80.8	0	0	0	110.2	I481 V490 L493 I505 T506 G507 P508 C511 K513 L516 L671 W679	I481-F673 HydrophobicContact CD1-CE1 4.45Å; I481-F673 HydrophobicContact CD1-CZ 4.49Å; V490-F673 HydrophobicContact CG2-CD1 4.09Å; V490-F673 HydrophobicContact CG2-CE1 3.92Å; L493-F673 HydrophobicContact CD1-CE1 4.47Å; I505-F673 HydrophobicContact CG2-CD2 4.14Å; I505-F673 HydrophobicContact CG2-CE2 3.73Å; T506-F673 PolarHBondContact O-N 3.1Å; G507-F673 VanDerWaalsContact CA-O 3.24Å; G507-F673 WeakPolarHBondContact CA-O 3.06Å; P508-F673 WeakPolarHBondContact CD-O 3.47Å; C511-F673 HydrophobicContact CB-CB 4.14Å; C511-F673 VanDerWaalsContact SG-CB 3.53Å; K513-F673 HydrophobicContact CG-CD2 4.12Å; L516-F673 HydrophobicContact CD2-CZ 4.25Å; L671-F673 HydrophobicContact CD2-CE2 3.86Å; L671-F673 HydrophobicContact CD2-CZ 3.79Å; L671-F673 HydrophobicContact CG-CE2 3.97Å; L671-F673 HydrophobicContact CG-CZ 4.13Å; F673-W679 HydrophobicContact CD1-CB 3.9Å; F673-W679 HydrophobicContact CE1-CB 4.12Å
674	D	88.3	Confident	90.1	Very high	84 Å²	84	58 Å²	58	45%	0.449	29%	0.286	S	S	.	.			trans	-83	-33.1	177.5	50.8	31.9	0	0	0	113.5	P508 E676 G677 G678	P508-D674 WeakPolarHBondContact CD-O 3.48Å; P508-D674 VanDerWaalsContact CG-O 3.27Å; P508-D674 WeakPolarHBondContact CG-O 3.41Å; D674-E676 PolarHBondContact OD1-N 3.43Å; D674-G677 PolarHBondContact OD1-N 3.38Å; D674-G678 VanDerWaalsContact CG-O 3.3Å; D674-G678 PolarHBondContact N-O 2.81Å; D674-G678 PolarHBondContact OD1-N 2.93Å; D674-G678 VanDerWaalsContact OD1-O 3.11Å; D674-G678 WeakPolarHBondContact OD2-CA 3.32Å; D674-G678 PolarHBondContact OD2-N 3.4Å; D674-G678 VanDerWaalsContact OD2-N 3.14Å
675	G	83.9	Confident	89.8	Confident	42 Å²	42	61.1 Å²	61.1	43%	0.433	31%	0.305	S	S	.	.	S	Bend	trans	108.8	-21	-174.3	0	0	0	0	0	113.9
676	E	83.9	Confident	89.1	Confident	170 Å²	170	56.7 Å²	56.7	79%	0.794	29%	0.29	S	S	*	.	S	Bend	trans	-93.5	-7.6	175.4	-60.6	-171	163	0	0	112.1	S453 D674	S453-E676 WeakPolarHBondContact CB-O 3.42Å; S453-E676 PolarHBondContact OG-O 3Å; D674-E676 PolarHBondContact OD1-N 3.43Å
677	G	81.2	Confident	88.3	Confident	15 Å²	15	58.9 Å²	58.9	16%	0.155	31%	0.313	C	S	.	.	S	Bend	trans	111.3	6.2	170.4	0	0	0	0	0	114.6	S453 V489 D674	S453-G677 WeakPolarHBondContact OG-CA 3.44Å; V489-G677 VanDerWaalsContact O-CA 3.23Å; V489-G677 WeakPolarHBondContact O-CA 3.42Å; D674-G677 PolarHBondContact OD1-N 3.38Å
678	G	87.2	Confident	87.3	Confident	26 Å²	26	60.2 Å²	60.2	27%	0.268	33%	0.325	S	S	.	.			trans	-86.6	170.4	161.3	0	0	0	0	0	111.6	D674	D674-G678 VanDerWaalsContact CG-O 3.3Å; D674-G678 PolarHBondContact N-O 2.81Å; D674-G678 PolarHBondContact OD1-N 2.93Å; D674-G678 VanDerWaalsContact OD1-O 3.11Å; D674-G678 WeakPolarHBondContact OD2-CA 3.32Å; D674-G678 PolarHBondContact OD2-N 3.4Å; D674-G678 VanDerWaalsContact OD2-N 3.14Å
679	W	93	Very high	86.5	Confident	74 Å²	74	61.3 Å²	61.3	28%	0.28	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	156.4	-177	54.7	-89	0	0	0	109.7	S492 L493 N494 I495 L671 Q672 F673 F681	S492-W679 PolarHBondContact O-NE1 3.43Å; L493-W679 HydrophobicContact CD1-CD2 3.66Å; L493-W679 HydrophobicContact CD1-CE3 4.14Å; L493-W679 HydrophobicContact CD1-CG 3.77Å; N494-W679 HydrophobicContact CB-CH2 3.89Å; N494-W679 HydrophobicContact CB-CZ2 3.95Å; N494-W679 VanDerWaalsContact N-CZ2 3.28Å; N494-W679 WeakPolarHBondContact O-CH2 3.36Å; N494-W679 WeakPolarHBondContact O-CZ3 3.34Å; I495-W679 HydrophobicContact CG2-CE3 4.43Å; I495-W679 HydrophobicContact CG2-CZ3 4.24Å; L671-W679 HydrophobicContact CD1-CB 4.18Å; L671-W679 HydrophobicContact CD1-CE3 4.06Å; Q672-W679 CarbonylContact O-C 3.55Å; Q672-W679 VanDerWaalsContact O-CA 3.27Å; Q672-W679 WeakPolarHBondContact O-CA 3.43Å; F673-W679 HydrophobicContact CD1-CB 3.9Å; F673-W679 HydrophobicContact CE1-CB 4.12Å; W679-F681 HydrophobicContact CE3-CB 4.28Å; W679-F681 HydrophobicContact CZ3-CB 3.99Å
680	K	92.4	Very high	85.6	Confident	144 Å²	144	62.8 Å²	62.8	63%	0.626	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.6	174.9	-62.1	-177.2	-177.7	179.8	0	109.2	L671 Q672	L671-K680 CarbonylContact C-O 3.59Å; L671-K680 WeakPolarHBondContact CA-O 3.36Å; Q672-K680 PolarHBondContact N-O 3.42Å; Q672-K680 PolarHBondContact O-N 2.96Å
681	F	93.1	Very high	84.8	Confident	70 Å²	70	65.6 Å²	65.6	31%	0.307	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.4	175.8	-178.1	-100.6	0	0	0	108.7	I495 R496 L503 H669 L670 L671 W679	I495-F681 HydrophobicContact CG2-CB 4.42Å; I495-F681 HydrophobicContact CG2-CD2 4.1Å; I495-F681 HydrophobicContact CG2-CG 4.36Å; R496-F681 WeakPolarHBondContact O-CZ 3.31Å; L503-F681 HydrophobicContact CD1-CD2 4.28Å; L503-F681 HydrophobicContact CD1-CE2 3.79Å; H669-F681 HydrophobicContact CB-CE2 4.39Å; H669-F681 HydrophobicContact CB-CZ 4.36Å; L670-F681 WeakPolarHBondContact O-CA 3.49Å; L671-F681 HydrophobicContact CB-CD2 4.43Å; W679-F681 HydrophobicContact CE3-CB 4.28Å; W679-F681 HydrophobicContact CZ3-CB 3.99Å
682	E	92.1	Very high	84.1	Confident	78 Å²	78	70.6 Å²	70.6	36%	0.364	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.2	-173.2	63.7	-173.1	-164.5	0	0	111.7	H669 L670 R689	H669-E682 CarbonylContact C-O 3.58Å; H669-E682 WeakPolarHBondContact CA-O 3.34Å; L670-E682 HydrophobicContact CB-CG 4.02Å; L670-E682 HydrophobicContact CD2-CG 4.39Å; L670-E682 WeakPolarHBondContact CD2-OE1 3.01Å; L670-E682 PolarHBondContact N-O 3.16Å; L670-E682 PolarHBondContact O-N 3.49Å; E682-R689 IonicContact OE1-CZ 3.61Å; E682-R689 IonicContact OE1-NH1 3.75Å; E682-R689 PolarHBondContact OE1-NH1 3.01Å
683	K	89.8	Confident	83.3	Confident	170 Å²	170	69.3 Å²	69.3	74%	0.739	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	130.6	170.1	-169.7	178.3	-179.8	-179.5	0	108.7	T668 D685	T668-K683 WeakPolarHBondContact O-CG 3.49Å; K683-D685 PolarHBondContact O-N 3.08Å
684	L	85.9	Confident	82.8	Confident	15 Å²	15	75.2 Å²	75.2	8%	0.079	40%	0.404	C	S	.	.			trans	-84.2	107.5	-173.5	-179.6	62.2	0	0	0	110.8	L504 W664 H667 T668 L670 S686	L504-L684 HydrophobicContact CD2-CD2 4.04Å; W664-L684 HydrophobicContact CB-CD2 4.37Å; W664-L684 WeakPolarHBondContact O-CD2 3.35Å; H667-L684 HydrophobicContact CB-CD2 4.02Å; T668-L684 PolarHBondContact O-N 3.14Å; L670-L684 HydrophobicContact CB-CB 4.48Å; L670-L684 HydrophobicContact CB-CD1 4.46Å; L684-S686 PolarHBondContact O-N 3Å
685	D	83.1	Confident	82.5	Confident	96 Å²	96	76.4 Å²	76.4	51%	0.513	41%	0.407	S	S	.	.			trans	-80.8	99.4	156.9	-172.3	-24.7	0	0	0	108.7	K683 A687 A688 R689	K683-D685 PolarHBondContact O-N 3.08Å; D685-A687 VanDerWaalsContact C-N 3.31Å; D685-A687 PolarHBondContact OD1-N 3.04Å; D685-A688 HydrophobicContact CB-CB 4.15Å; D685-A688 VanDerWaalsContact CG-CB 3.49Å; D685-A688 PolarHBondContact OD1-N 3.32Å; D685-A688 WeakPolarHBondContact OD2-CB 3.23Å; D685-R689 VanDerWaalsContact O-CB 3.24Å; D685-R689 WeakPolarHBondContact O-CB 3.46Å; D685-R689 PolarHBondContact O-N 3.21Å
686	S	74.6	Confident	82.4	Confident	34 Å²	34	80 Å²	80	24%	0.238	41%	0.41	C	S	.	.	H	α-helix	trans	-70.2	-26.7	179.1	56.1	0	0	0	0	113.1	L684 L690	L684-S686 PolarHBondContact O-N 3Å; S686-L690 WeakPolarHBondContact O-CB 3.38Å; S686-L690 WeakPolarHBondContact O-CD1 3.48Å; S686-L690 VanDerWaalsContact O-CG 3.26Å; S686-L690 WeakPolarHBondContact O-CG 3.2Å; S686-L690 PolarHBondContact O-N 3.31Å; S686-L690 VanDerWaalsContact O-N 3.16Å
687	A	72.2	Confident	82.4	Confident	66 Å²	66	76.8 Å²	76.8	55%	0.545	40%	0.396	S	S	.	.	H	α-helix	trans	-77	-52.2	-177.8	0	0	0	0	0	110.6	D685 R689 L690 S691	D685-A687 VanDerWaalsContact C-N 3.31Å; D685-A687 PolarHBondContact OD1-N 3.04Å; A687-R689 VanDerWaalsContact C-N 3.28Å; A687-R689 PolarHBondContact O-N 3.34Å; A687-L690 PolarHBondContact O-N 3.49Å; A687-S691 PolarHBondContact O-N 3.31Å; A687-S691 PolarHBondContact O-OG 2.89Å
688	A	74.1	Confident	82.6	Confident	37 Å²	37	84.2 Å²	84.2	31%	0.306	42%	0.419	S	S	.	.	H	α-helix	trans	-61.2	-37.2	175.9	0	0	0	0	0	111.9	D685 S691 L692	D685-A688 HydrophobicContact CB-CB 4.15Å; D685-A688 VanDerWaalsContact CG-CB 3.49Å; D685-A688 PolarHBondContact OD1-N 3.32Å; D685-A688 WeakPolarHBondContact OD2-CB 3.23Å; A688-S691 PolarHBondContact O-OG 3.21Å; A688-S691 VanDerWaalsContact O-OG 3.08Å; A688-L692 VanDerWaalsContact O-CB 3.3Å; A688-L692 WeakPolarHBondContact O-CB 3.14Å; A688-L692 WeakPolarHBondContact O-CD1 3.38Å; A688-L692 WeakPolarHBondContact O-CG 3.37Å; A688-L692 PolarHBondContact O-N 3.28Å
689	R	75.4	Confident	82.4	Confident	63 Å²	63	87 Å²	87	24%	0.238	43%	0.427	C	S	.	.	H	α-helix	trans	-70.4	-33.5	178.2	-157.5	177.9	-165.8	107.4	-5.1	112.8	W664 L670 E682 D685 A687 T693	W664-R689 HydrophobicContact CE3-CB 4.26Å; W664-R689 HydrophobicContact CE3-CG 4.18Å; W664-R689 HydrophobicContact CH2-CG 4.23Å; W664-R689 HydrophobicContact CZ3-CB 4.13Å; W664-R689 HydrophobicContact CZ3-CG 3.74Å; L670-R689 VanDerWaalsContact CD2-NH2 3.33Å; E682-R689 IonicContact OE1-CZ 3.61Å; E682-R689 IonicContact OE1-NH1 3.75Å; E682-R689 PolarHBondContact OE1-NH1 3.01Å; D685-R689 VanDerWaalsContact O-CB 3.24Å; D685-R689 WeakPolarHBondContact O-CB 3.46Å; D685-R689 PolarHBondContact O-N 3.21Å; A687-R689 VanDerWaalsContact C-N 3.28Å; A687-R689 PolarHBondContact O-N 3.34Å; R689-T693 WeakPolarHBondContact O-CB 3.47Å; R689-T693 PolarHBondContact O-N 2.96Å; R689-T693 VanDerWaalsContact O-N 3.15Å; R689-T693 PolarHBondContact O-OG1 2.9Å
690	L	75.3	Confident	82	Confident	61 Å²	61	88 Å²	88	32%	0.319	44%	0.435	S	S	.	.	H	α-helix	trans	-65.9	-52.8	171.8	-80.5	166.5	0	0	0	110.8	P661 W664 S686 A687 L692 T693 E694	P661-L690 HydrophobicContact CB-CD2 4.41Å; W664-L690 HydrophobicContact CE3-CD2 4.12Å; W664-L690 HydrophobicContact CE3-CG 4.13Å; W664-L690 HydrophobicContact CZ3-CD2 4.25Å; W664-L690 HydrophobicContact CZ3-CG 4.44Å; S686-L690 WeakPolarHBondContact O-CB 3.38Å; S686-L690 WeakPolarHBondContact O-CD1 3.48Å; S686-L690 VanDerWaalsContact O-CG 3.26Å; S686-L690 WeakPolarHBondContact O-CG 3.2Å; S686-L690 PolarHBondContact O-N 3.31Å; S686-L690 VanDerWaalsContact O-N 3.16Å; A687-L690 PolarHBondContact O-N 3.49Å; L690-L692 VanDerWaalsContact C-N 3.34Å; L690-L692 PolarHBondContact O-N 3.03Å; L690-T693 WeakPolarHBondContact O-CA 3.46Å; L690-T693 WeakPolarHBondContact O-CB 3.35Å; L690-T693 PolarHBondContact O-N 3.48Å; L690-E694 PolarHBondContact O-N 2.88Å
691	S	76.4	Confident	81.7	Confident	61 Å²	61	88 Å²	88	43%	0.427	44%	0.437	S	S	.	.	H	α-helix	trans	-61.4	-39.3	-179.1	61.9	0	0	0	0	112.9	A687 A688 T693 E694 E695	A687-S691 PolarHBondContact O-N 3.31Å; A687-S691 PolarHBondContact O-OG 2.89Å; A688-S691 PolarHBondContact O-OG 3.21Å; A688-S691 VanDerWaalsContact O-OG 3.08Å; S691-T693 VanDerWaalsContact C-N 3.29Å; S691-T693 PolarHBondContact O-N 3.01Å; S691-E694 PolarHBondContact O-N 3.18Å; S691-E695 VanDerWaalsContact O-CB 3.28Å; S691-E695 WeakPolarHBondContact O-CB 3.22Å; S691-E695 PolarHBondContact O-N 2.84Å
692	L	78.9	Confident	81.2	Confident	104 Å²	104	89.9 Å²	89.9	55%	0.545	45%	0.447	S	S	.	.	H	α-helix	trans	-66.7	-28.5	173.8	-72.4	169.2	0	0	0	112.9	A688 L690 K696	A688-L692 VanDerWaalsContact O-CB 3.3Å; A688-L692 WeakPolarHBondContact O-CB 3.14Å; A688-L692 WeakPolarHBondContact O-CD1 3.38Å; A688-L692 WeakPolarHBondContact O-CG 3.37Å; A688-L692 PolarHBondContact O-N 3.28Å; L690-L692 VanDerWaalsContact C-N 3.34Å; L690-L692 PolarHBondContact O-N 3.03Å; L692-K696 WeakPolarHBondContact O-CB 3.35Å; L692-K696 PolarHBondContact O-N 3.35Å
693	T	76.8	Confident	80.7	Confident	44 Å²	44	91.3 Å²	91.3	27%	0.27	46%	0.457	S	S	.	.	H	α-helix	trans	-76.3	-39.8	175.6	-57.2	0	0	0	0	111.1	R689 L690 S691 K696 Q697	R689-T693 WeakPolarHBondContact O-CB 3.47Å; R689-T693 PolarHBondContact O-N 2.96Å; R689-T693 VanDerWaalsContact O-N 3.15Å; R689-T693 PolarHBondContact O-OG1 2.9Å; L690-T693 WeakPolarHBondContact O-CA 3.46Å; L690-T693 WeakPolarHBondContact O-CB 3.35Å; L690-T693 PolarHBondContact O-N 3.48Å; S691-T693 VanDerWaalsContact C-N 3.29Å; S691-T693 PolarHBondContact O-N 3.01Å; T693-K696 PolarHBondContact O-N 3.05Å; T693-Q697 WeakPolarHBondContact O-CG 3.44Å; T693-Q697 PolarHBondContact O-N 3.38Å
694	E	81.4	Confident	80.3	Confident	125 Å²	125	86.9 Å²	86.9	58%	0.584	45%	0.451	S	S	*	.	H	α-helix	trans	-65.8	-43.7	173.7	-68.8	172.5	-180	0	0	111.5	L690 S691 Q697 R698	L690-E694 PolarHBondContact O-N 2.88Å; S691-E694 PolarHBondContact O-N 3.18Å; E694-Q697 PolarHBondContact O-N 3.11Å; E694-R698 WeakPolarHBondContact O-CB 3.48Å; E694-R698 PolarHBondContact O-N 3.25Å
695	E	82.2	Confident	80	Confident	109 Å²	109	87.4 Å²	87.4	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-61.4	-46.3	173.3	-178.4	171.8	-152.4	0	0	111.3	S691 Q697 R698 L699	S691-E695 VanDerWaalsContact O-CB 3.28Å; S691-E695 WeakPolarHBondContact O-CB 3.22Å; S691-E695 PolarHBondContact O-N 2.84Å; E695-Q697 PolarHBondContact O-N 3.02Å; E695-R698 WeakPolarHBondContact O-CB 3.42Å; E695-R698 PolarHBondContact O-N 3Å; E695-L699 HydrophobicContact CG-CD1 4.05Å; E695-L699 WeakPolarHBondContact O-CG 3.42Å; E695-L699 PolarHBondContact O-N 3.43Å
696	K	82.4	Confident	80.1	Confident	117 Å²	117	86.2 Å²	86.2	51%	0.509	45%	0.453	S	S	.	.	H	α-helix	trans	-55.5	-51.9	173.5	179.9	-172.1	163.2	-176.7	0	111.2	L692 T693 R698 L699 E700	L692-K696 WeakPolarHBondContact O-CB 3.35Å; L692-K696 PolarHBondContact O-N 3.35Å; T693-K696 PolarHBondContact O-N 3.05Å; K696-R698 VanDerWaalsContact C-N 3.29Å; K696-R698 PolarHBondContact O-N 3.34Å; K696-L699 PolarHBondContact O-N 3.33Å; K696-E700 WeakPolarHBondContact CE-OE1 3.45Å; K696-E700 VanDerWaalsContact CE-OE2 3.28Å; K696-E700 WeakPolarHBondContact CE-OE2 3.36Å; K696-E700 HydrophobicContact CG-CG 4.41Å; K696-E700 IonicContact NZ-OE1 2.67Å; K696-E700 PolarHBondContact NZ-OE1 3.27Å; K696-E700 VanDerWaalsContact NZ-OE1 3.14Å; K696-E700 WeakPolarHBondContact O-CG 3.3Å; K696-E700 PolarHBondContact O-N 3.46Å
697	Q	82.9	Confident	80.5	Confident	104 Å²	104	87.8 Å²	87.8	49%	0.486	46%	0.463	S	S	.	.	H	α-helix	trans	-61.7	-38	-179.6	-76.3	-178.5	-4.2	0	0	112.1	T693 E694 E695 E700 Q701	T693-Q697 WeakPolarHBondContact O-CG 3.44Å; T693-Q697 PolarHBondContact O-N 3.38Å; E694-Q697 PolarHBondContact O-N 3.11Å; E695-Q697 PolarHBondContact O-N 3.02Å; Q697-E700 PolarHBondContact O-N 3Å; Q697-Q701 WeakPolarHBondContact O-CB 3.45Å; Q697-Q701 VanDerWaalsContact O-CG 3.28Å; Q697-Q701 WeakPolarHBondContact O-CG 3.45Å; Q697-Q701 PolarHBondContact O-N 3.11Å
698	R	84.9	Confident	81	Confident	171 Å²	171	92.7 Å²	92.7	65%	0.645	47%	0.472	S	S	*	.	H	α-helix	trans	-63.5	-43	175	-175.2	-178.3	-177.4	-169.6	1.5	111.9	E694 E695 K696 Q701 Q702	E694-R698 WeakPolarHBondContact O-CB 3.48Å; E694-R698 PolarHBondContact O-N 3.25Å; E695-R698 WeakPolarHBondContact O-CB 3.42Å; E695-R698 PolarHBondContact O-N 3Å; K696-R698 VanDerWaalsContact C-N 3.29Å; K696-R698 PolarHBondContact O-N 3.34Å; R698-Q701 PolarHBondContact O-N 3.37Å; R698-Q702 WeakPolarHBondContact O-CG 3.39Å; R698-Q702 PolarHBondContact O-N 3.37Å
699	L	84.2	Confident	81.3	Confident	85 Å²	85	97.5 Å²	97.5	45%	0.445	49%	0.489	S	S	.	.	H	α-helix	trans	-66.7	-42.1	175.5	-70.2	168.9	0	0	0	111.7	E695 K696 Q701 Q702 L703	E695-L699 HydrophobicContact CG-CD1 4.05Å; E695-L699 WeakPolarHBondContact O-CG 3.42Å; E695-L699 PolarHBondContact O-N 3.43Å; K696-L699 PolarHBondContact O-N 3.33Å; L699-Q701 PolarHBondContact O-N 3.31Å; L699-Q702 PolarHBondContact O-N 3.41Å; L699-L703 WeakPolarHBondContact O-CB 3.35Å; L699-L703 WeakPolarHBondContact O-CD1 3.13Å; L699-L703 WeakPolarHBondContact O-CG 3.29Å; L699-L703 PolarHBondContact O-N 3.17Å
700	E	84.6	Confident	81.7	Confident	93 Å²	93	100 Å²	100	44%	0.435	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-41.8	174.9	-74.8	176.3	145.3	0	0	111.9	K696 Q697 L703 A704	K696-E700 WeakPolarHBondContact CE-OE1 3.45Å; K696-E700 VanDerWaalsContact CE-OE2 3.28Å; K696-E700 WeakPolarHBondContact CE-OE2 3.36Å; K696-E700 HydrophobicContact CG-CG 4.41Å; K696-E700 IonicContact NZ-OE1 2.67Å; K696-E700 PolarHBondContact NZ-OE1 3.27Å; K696-E700 VanDerWaalsContact NZ-OE1 3.14Å; K696-E700 WeakPolarHBondContact O-CG 3.3Å; K696-E700 PolarHBondContact O-N 3.46Å; Q697-E700 PolarHBondContact O-N 3Å; E700-L703 PolarHBondContact O-N 3.28Å; E700-A704 WeakPolarHBondContact O-CB 3.18Å; E700-A704 PolarHBondContact O-N 3.46Å
701	Q	84.6	Confident	82	Confident	145 Å²	145	105.2 Å²	105.2	68%	0.678	52%	0.519	S	S	*	.	H	α-helix	trans	-64.1	-39.9	173.7	-73.9	174.3	13.9	0	0	112.5	Q697 R698 L699 G705	Q697-Q701 WeakPolarHBondContact O-CB 3.45Å; Q697-Q701 VanDerWaalsContact O-CG 3.28Å; Q697-Q701 WeakPolarHBondContact O-CG 3.45Å; Q697-Q701 PolarHBondContact O-N 3.11Å; R698-Q701 PolarHBondContact O-N 3.37Å; L699-Q701 PolarHBondContact O-N 3.31Å; Q701-G705 PolarHBondContact O-N 3.1Å
702	Q	82.7	Confident	82.3	Confident	110 Å²	110	108.9 Å²	108.9	51%	0.514	52%	0.524	S	S	.	.	H	α-helix	trans	-65.8	-46.3	175.3	-75.1	175.5	-24.4	0	0	111.6	R698 L699 A704 G705 I706	R698-Q702 WeakPolarHBondContact O-CG 3.39Å; R698-Q702 PolarHBondContact O-N 3.37Å; L699-Q702 PolarHBondContact O-N 3.41Å; Q702-A704 VanDerWaalsContact C-N 3.33Å; Q702-A704 PolarHBondContact O-N 3.44Å; Q702-G705 WeakPolarHBondContact O-CA 3.21Å; Q702-G705 PolarHBondContact O-N 3.44Å; Q702-I706 PolarHBondContact O-N 3.32Å
703	L	81.4	Confident	82.4	Confident	108 Å²	108	108.2 Å²	108.2	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-57.1	-43.8	175.3	-77.9	159.6	0	0	0	111.8	L699 E700 G705 I706	L699-L703 WeakPolarHBondContact O-CB 3.35Å; L699-L703 WeakPolarHBondContact O-CD1 3.13Å; L699-L703 WeakPolarHBondContact O-CG 3.29Å; L699-L703 PolarHBondContact O-N 3.17Å; E700-L703 PolarHBondContact O-N 3.28Å; L703-G705 PolarHBondContact O-N 3.37Å; L703-I706 HydrophobicContact CD2-CD1 4.04Å; L703-I706 WeakPolarHBondContact O-CB 3.49Å; L703-I706 PolarHBondContact O-N 2.94Å; L703-I706 VanDerWaalsContact O-N 3.15Å
704	A	81.3	Confident	82.5	Confident	76 Å²	76	111.6 Å²	111.6	63%	0.628	53%	0.533	S	S	*	.	H	α-helix	trans	-63.4	-22.3	175.6	0	0	0	0	0	113.8	E700 Q702	E700-A704 WeakPolarHBondContact O-CB 3.18Å; E700-A704 PolarHBondContact O-N 3.46Å; Q702-A704 VanDerWaalsContact C-N 3.33Å; Q702-A704 PolarHBondContact O-N 3.44Å
705	G	81.4	Confident	82.5	Confident	26 Å²	26	109.7 Å²	109.7	27%	0.268	52%	0.524	S	S	.	.	H	α-helix	trans	-77.5	-28.4	173.9	0	0	0	0	0	114.4	Q701 Q702 L703 K708 M709	Q701-G705 PolarHBondContact O-N 3.1Å; Q702-G705 WeakPolarHBondContact O-CA 3.21Å; Q702-G705 PolarHBondContact O-N 3.44Å; L703-G705 PolarHBondContact O-N 3.37Å; G705-K708 PolarHBondContact O-N 3.17Å; G705-K708 VanDerWaalsContact O-N 3.08Å; G705-M709 PolarHBondContact O-N 3.27Å
706	I	85.2	Confident	82.4	Confident	71 Å²	71	108 Å²	108	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-54.7	-44.7	-171.9	-63.5	178.9	0	0	0	113.2	Q702 L703 K708 M709 Q710	Q702-I706 PolarHBondContact O-N 3.32Å; L703-I706 HydrophobicContact CD2-CD1 4.04Å; L703-I706 WeakPolarHBondContact O-CB 3.49Å; L703-I706 PolarHBondContact O-N 2.94Å; L703-I706 VanDerWaalsContact O-N 3.15Å; I706-K708 VanDerWaalsContact C-N 3.27Å; I706-K708 PolarHBondContact O-N 2.92Å; I706-M709 PolarHBondContact O-N 3.46Å; I706-M709 VanDerWaalsContact O-N 3.08Å; I706-Q710 HydrophobicContact CG2-CG 4.01Å; I706-Q710 WeakPolarHBondContact O-CG 3.45Å; I706-Q710 PolarHBondContact O-N 2.84Å
707	P	82.3	Confident	82.2	Confident	67 Å²	67	103.1 Å²	103.1	44%	0.435	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-30.2	-179.7	-24.9	35.8	0	0	0	114	R711	P707-R711 WeakPolarHBondContact O-CG 3.15Å; P707-R711 PolarHBondContact O-N 3.23Å
708	K	82.3	Confident	82	Confident	170 Å²	170	105.9 Å²	105.9	74%	0.739	51%	0.512	S	S	*	.	H	α-helix	trans	-72.9	-41.1	172.8	-75.6	-176.9	175.6	178.1	0	111.3	G705 I706 R711 R712	G705-K708 PolarHBondContact O-N 3.17Å; G705-K708 VanDerWaalsContact O-N 3.08Å; I706-K708 VanDerWaalsContact C-N 3.27Å; I706-K708 PolarHBondContact O-N 2.92Å; K708-R711 PolarHBondContact O-N 2.95Å; K708-R712 WeakPolarHBondContact O-CB 3.25Å; K708-R712 PolarHBondContact O-N 3.47Å
709	M	81.6	Confident	81.8	Confident	137 Å²	137	103.8 Å²	103.8	68%	0.675	51%	0.512	S	S	*	.	H	α-helix	trans	-65	-39.5	177.1	-63.5	178.3	71.1	0	0	111.7	G705 I706 R712 L713	G705-M709 PolarHBondContact O-N 3.27Å; I706-M709 PolarHBondContact O-N 3.46Å; I706-M709 VanDerWaalsContact O-N 3.08Å; M709-R712 PolarHBondContact O-N 3.29Å; M709-L713 WeakPolarHBondContact O-CB 3.25Å; M709-L713 PolarHBondContact O-N 2.89Å
710	Q	83.3	Confident	81.6	Confident	116 Å²	116	105.4 Å²	105.4	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-45.2	174.3	-74.2	174.7	-23.1	0	0	112.5	I706 L713 Q714	I706-Q710 HydrophobicContact CG2-CG 4.01Å; I706-Q710 WeakPolarHBondContact O-CG 3.45Å; I706-Q710 PolarHBondContact O-N 2.84Å; Q710-L713 WeakPolarHBondContact O-CB 3.46Å; Q710-L713 PolarHBondContact O-N 3.46Å; Q710-Q714 WeakPolarHBondContact O-CG 3.33Å; Q710-Q714 PolarHBondContact O-N 2.95Å
711	R	82.1	Confident	80.9	Confident	171 Å²	171	104.3 Å²	104.3	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-61.9	-43.9	174	-73	178.1	-172	178.6	3.3	111.9	P707 K708 L713 Q714 E715	P707-R711 WeakPolarHBondContact O-CG 3.15Å; P707-R711 PolarHBondContact O-N 3.23Å; K708-R711 PolarHBondContact O-N 2.95Å; R711-L713 VanDerWaalsContact C-N 3.29Å; R711-L713 PolarHBondContact O-N 2.83Å; R711-Q714 WeakPolarHBondContact O-CB 3.4Å; R711-Q714 PolarHBondContact O-N 2.83Å; R711-Q714 VanDerWaalsContact O-N 3.16Å; R711-E715 WeakPolarHBondContact O-CG 3.37Å; R711-E715 PolarHBondContact O-N 3.46Å
712	R	81.9	Confident	80.4	Confident	138 Å²	138	103.4 Å²	103.4	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-32.3	178	-171.8	54.2	173.7	-178.9	2.6	112.5	K708 M709 E715 L716	K708-R712 WeakPolarHBondContact O-CB 3.25Å; K708-R712 PolarHBondContact O-N 3.47Å; M709-R712 PolarHBondContact O-N 3.29Å; R712-E715 WeakPolarHBondContact CD-OE2 3.33Å; R712-E715 IonicContact CZ-OE2 3.88Å; R712-E715 IonicContact NE-OE2 3.6Å; R712-E715 IonicContact NH1-OE2 2.81Å; R712-E715 PolarHBondContact NH1-OE2 3.47Å; R712-L716 HydrophobicContact CG-CD1 4.26Å; R712-L716 WeakPolarHBondContact O-CB 3.3Å; R712-L716 VanDerWaalsContact O-CG 3.24Å; R712-L716 WeakPolarHBondContact O-CG 3.5Å; R712-L716 PolarHBondContact O-N 3.3Å
713	L	81.1	Confident	79	Confident	90 Å²	90	103.1 Å²	103.1	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-64.9	-45	171	-172.7	69.4	0	0	0	111.1	M709 Q710 R711 E715 L716 C717	M709-L713 WeakPolarHBondContact O-CB 3.25Å; M709-L713 PolarHBondContact O-N 2.89Å; Q710-L713 WeakPolarHBondContact O-CB 3.46Å; Q710-L713 PolarHBondContact O-N 3.46Å; R711-L713 VanDerWaalsContact C-N 3.29Å; R711-L713 PolarHBondContact O-N 2.83Å; L713-E715 PolarHBondContact O-N 3.49Å; L713-L716 PolarHBondContact O-N 3.3Å; L713-C717 PolarHBondContact O-N 3.31Å; L713-C717 PolarHBondContact O-SG 3.43Å; L713-C717 VanDerWaalsContact O-SG 3.39Å
714	Q	79.3	Confident	77.7	Confident	115 Å²	115	103 Å²	103	54%	0.537	54%	0.544	S	S	.	.	H	α-helix	trans	-60.4	-43.7	175.4	-71.9	175.6	-33.4	0	0	112.5	Q710 R711 L716 C717 Q718	Q710-Q714 WeakPolarHBondContact O-CG 3.33Å; Q710-Q714 PolarHBondContact O-N 2.95Å; R711-Q714 WeakPolarHBondContact O-CB 3.4Å; R711-Q714 PolarHBondContact O-N 2.83Å; R711-Q714 VanDerWaalsContact O-N 3.16Å; Q714-L716 VanDerWaalsContact C-N 3.34Å; Q714-L716 PolarHBondContact O-N 2.89Å; Q714-C717 PolarHBondContact O-N 3.43Å; Q714-Q718 WeakPolarHBondContact O-CG 3.19Å; Q714-Q718 PolarHBondContact O-N 2.86Å
715	E	81.6	Confident	76.3	Confident	85 Å²	85	103.2 Å²	103.2	40%	0.397	55%	0.546	S	S	.	.	H	α-helix	trans	-57.9	-44.8	172.9	-70.8	168.2	-167.8	0	0	111.7	R711 R712 L713 Q718 I719	R711-E715 WeakPolarHBondContact O-CG 3.37Å; R711-E715 PolarHBondContact O-N 3.46Å; R712-E715 WeakPolarHBondContact CD-OE2 3.33Å; R712-E715 IonicContact CZ-OE2 3.88Å; R712-E715 IonicContact NE-OE2 3.6Å; R712-E715 IonicContact NH1-OE2 2.81Å; R712-E715 PolarHBondContact NH1-OE2 3.47Å; L713-E715 PolarHBondContact O-N 3.49Å; E715-Q718 PolarHBondContact O-N 2.92Å; E715-I719 WeakPolarHBondContact O-CD1 3.34Å; E715-I719 VanDerWaalsContact O-CG1 3.26Å; E715-I719 WeakPolarHBondContact O-CG1 3.32Å; E715-I719 PolarHBondContact O-N 3.43Å
716	L	79.8	Confident	74.5	Confident	73 Å²	73	108 Å²	108	38%	0.382	57%	0.572	S	S	.	*	H	α-helix	trans	-69.1	-42.2	-179.6	-71.8	168.6	0	0	0	112.5	R712 L713 Q714 Q718 I719 L720	R712-L716 HydrophobicContact CG-CD1 4.26Å; R712-L716 WeakPolarHBondContact O-CB 3.3Å; R712-L716 VanDerWaalsContact O-CG 3.24Å; R712-L716 WeakPolarHBondContact O-CG 3.5Å; R712-L716 PolarHBondContact O-N 3.3Å; L713-L716 PolarHBondContact O-N 3.3Å; Q714-L716 VanDerWaalsContact C-N 3.34Å; Q714-L716 PolarHBondContact O-N 2.89Å; L716-Q718 VanDerWaalsContact C-N 3.32Å; L716-Q718 PolarHBondContact O-N 2.89Å; L716-I719 PolarHBondContact O-N 3.38Å; L716-L720 WeakPolarHBondContact O-CB 3.5Å; L716-L720 VanDerWaalsContact O-CG 3.3Å; L716-L720 WeakPolarHBondContact O-CG 3.37Å; L716-L720 PolarHBondContact O-N 2.86Å
717	C	77.8	Confident	72.6	Confident	15 Å²	15	108.3 Å²	108.3	10%	0.101	59%	0.585	C	S	.	*	H	α-helix	trans	-63.2	-37.3	174.7	-67.3	0	0	0	0	112	L713 Q714 L720 G721 E722 M724	L713-C717 PolarHBondContact O-N 3.31Å; L713-C717 PolarHBondContact O-SG 3.43Å; L713-C717 VanDerWaalsContact O-SG 3.39Å; Q714-C717 PolarHBondContact O-N 3.43Å; C717-L720 PolarHBondContact O-N 3Å; C717-G721 PolarHBondContact O-N 2.87Å; C717-E722 PolarHBondContact O-N 3.44Å; C717-M724 HydrophobicContact CB-CG 4.17Å
718	Q	78	Confident	70.5	Confident	162 Å²	162	114.3 Å²	114.3	76%	0.757	61%	0.607	S	S	*	*	H	α-helix	trans	-62.9	-41.5	172	-76.5	-179.4	-3.7	0	0	112.5	Q714 E715 L716	Q714-Q718 WeakPolarHBondContact O-CG 3.19Å; Q714-Q718 PolarHBondContact O-N 2.86Å; E715-Q718 PolarHBondContact O-N 2.92Å; L716-Q718 VanDerWaalsContact C-N 3.32Å; L716-Q718 PolarHBondContact O-N 2.89Å
719	I	81.4	Confident	68.6	Low	126 Å²	126	112.2 Å²	112.2	65%	0.646	61%	0.609	S	S	*	*	H	α-helix	trans	-68.4	-35.4	177.7	-69.7	162.1	0	0	0	111.7	E715 L716	E715-I719 WeakPolarHBondContact O-CD1 3.34Å; E715-I719 VanDerWaalsContact O-CG1 3.26Å; E715-I719 WeakPolarHBondContact O-CG1 3.32Å; E715-I719 PolarHBondContact O-N 3.43Å; L716-I719 PolarHBondContact O-N 3.38Å
720	L	80.7	Confident	66.5	Low	120 Å²	120	111.3 Å²	111.3	63%	0.628	61%	0.613	S	S	*	*	H	α-helix	trans	-84.1	-9.8	-179.2	-67.8	169	0	0	0	113.8	L716 C717 E722	L716-L720 WeakPolarHBondContact O-CB 3.5Å; L716-L720 VanDerWaalsContact O-CG 3.3Å; L716-L720 WeakPolarHBondContact O-CG 3.37Å; L716-L720 PolarHBondContact O-N 2.86Å; C717-L720 PolarHBondContact O-N 3Å; L720-E722 VanDerWaalsContact C-N 3.3Å; L720-E722 HydrophobicContact CB-CG 4.24Å
721	G	69.9	Low	64.2	Low	69 Å²	69	109.9 Å²	109.9	71%	0.711	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	76	13.6	-177.7	0	0	0	0	0	114.4	C717 A723	C717-G721 PolarHBondContact O-N 2.87Å; G721-A723 PolarHBondContact O-N 3.06Å
722	E	74.2	Confident	62	Low	126 Å²	126	107.4 Å²	107.4	59%	0.589	63%	0.627	S	S	*	*			trans	-84.4	111.9	-178.5	-67.2	-173.6	159.9	0	0	111.1	C717 L720 M724	C717-E722 PolarHBondContact O-N 3.44Å; L720-E722 VanDerWaalsContact C-N 3.3Å; L720-E722 HydrophobicContact CB-CG 4.24Å; E722-M724 PolarHBondContact O-N 3.23Å
723	A	52.2	Low	60	Low	104 Å²	104	105.5 Å²	105.5	86%	0.86	64%	0.635	S	S	*	*			trans	-72.8	98.5	175.2	0	0	0	0	0	110.8	G721 A725	G721-A723 PolarHBondContact O-N 3.06Å; A723-A725 PolarHBondContact O-N 2.98Å
724	M	53.6	Low	57.9	Low	106 Å²	106	107.3 Å²	107.3	52%	0.522	65%	0.652	S	S	.	*			trans	-58.9	131.5	172	-73.6	-162.6	76.8	0	0	111.2	C717 E722	C717-M724 HydrophobicContact CB-CG 4.17Å; E722-M724 PolarHBondContact O-N 3.23Å
725	A	53	Low	55.9	Low	81 Å²	81	110.4 Å²	110.4	67%	0.669	67%	0.667	S	S	*	*			trans	-58	145.3	160.2	0	0	0	0	0	109.7	A723 A727	A723-A725 PolarHBondContact O-N 2.98Å; A725-A727 PolarHBondContact O-N 2.93Å
726	P	44	Very low	53.6	Low	125 Å²	125	113.9 Å²	113.9	81%	0.812	69%	0.688	S	S	*	*			trans	-64.2	107.4	-175.4	25.8	-34.2	0	0	0	110.5	Q728	P726-Q728 PolarHBondContact O-N 2.9Å
727	A	44.8	Very low	51.6	Low	78 Å²	78	116.9 Å²	116.9	65%	0.645	71%	0.712	S	S	*	*			trans	-58.9	124.2	172.3	0	0	0	0	0	109	A725 V729	A725-A727 PolarHBondContact O-N 2.93Å; A727-V729 PolarHBondContact O-N 3.03Å
728	Q	38.9	Very low	49.5	Very low	193 Å²	193	119.7 Å²	119.7	90%	0.902	74%	0.743	S	S	*	*			trans	-62.2	104.7	172.2	-71.8	-178.2	-11.2	0	0	108.3	P726 P730	P726-Q728 PolarHBondContact O-N 2.9Å; Q728-P730 WeakPolarHBondContact O-CD 3.37Å
729	V	40.5	Very low	47.6	Very low	127 Å²	127	115.5 Å²	115.5	77%	0.77	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-62.3	116.3	171.3	178	0	0	0	0	106.9	A727 A731	A727-V729 PolarHBondContact O-N 3.03Å; V729-A731 PolarHBondContact O-N 3.23Å
730	P	38.3	Very low	45.4	Very low	117 Å²	117	117.4 Å²	117.4	76%	0.76	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-60.7	124.2	169.1	-16.9	31.6	0	0	0	106.8	Q728	Q728-P730 WeakPolarHBondContact O-CD 3.37Å
731	A	35.8	Very low	43	Very low	86 Å²	86	121.5 Å²	121.5	71%	0.711	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-54	137.8	177.3	0	0	0	0	0	108.9	V729 S733	V729-A731 PolarHBondContact O-N 3.23Å; A731-S733 PolarHBondContact O-N 3.47Å
732	P	35.6	Very low	41.2	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-58.5	117	-178.4	23.9	-33.2	0	0	0	109
733	S	40.5	Very low	39.2	Very low	99 Å²	99	120.3 Å²	120.3	69%	0.692	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-52.8	137.1	167.4	50.1	0	0	0	0	108.5	A731 Q735	A731-S733 PolarHBondContact O-N 3.47Å; S733-Q735 PolarHBondContact O-N 3.4Å; S733-Q735 VanDerWaalsContact O-N 3.14Å
734	P	35.9	Very low	38.3	Very low	128 Å²	128	121 Å²	121	83%	0.831	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-54.6	124.9	-175.3	22.5	-33.4	0	0	0	109.8
735	Q	37.3	Very low	37.4	Very low	180 Å²	180	126.5 Å²	126.5	84%	0.841	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-70.8	129.3	179.1	-68	177.2	-29	0	0	109.2	S733 P737	S733-Q735 PolarHBondContact O-N 3.4Å; S733-Q735 VanDerWaalsContact O-N 3.14Å; Q735-P737 WeakPolarHBondContact O-CD 3.25Å
736	D	33.7	Very low	36.6	Very low	157 Å²	157	128.8 Å²	128.8	84%	0.84	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-59.6	124.2	164.5	-81.6	-48.8	0	0	0	109.2	G738	D736-G738 VanDerWaalsContact C-N 3.27Å; D736-G738 PolarHBondContact O-N 3.2Å
737	P	37.4	Very low	36.2	Very low	136 Å²	136	129 Å²	129	88%	0.883	83%	0.829	S	S	*	*	S	Bend	trans	-78.4	75.2	-177.1	32	-35.1	0	0	0	110.5	Q735	Q735-P737 WeakPolarHBondContact O-CD 3.25Å
738	G	34.3	Very low	35.7	Very low	74 Å²	74	131.8 Å²	131.8	76%	0.763	84%	0.839	S	S	*	*			trans	-147.6	27.7	-162.2	0	0	0	0	0	117.9	D736	D736-G738 VanDerWaalsContact C-N 3.27Å; D736-G738 PolarHBondContact O-N 3.2Å
739	G	38.6	Very low	35.6	Very low	75 Å²	75	128.2 Å²	128.2	77%	0.773	84%	0.835	S	S	*	*			trans	-178.4	68.4	178	0	0	0	0	0	118.7
740	L	34.2	Very low	35.3	Very low	166 Å²	166	128.3 Å²	128.3	87%	0.869	84%	0.839	S	S	*	*			trans	-161.4	109.3	159.6	-118.8	172.6	0	0	0	112.9
741	Q	30.7	Very low	35.1	Very low	206 Å²	206	129.1 Å²	129.1	96%	0.963	84%	0.844	S	S	*	*			trans	-165.2	116.1	142.7	-112	173	33	0	0	109.6
742	G	31.1	Very low	35	Very low	67 Å²	67	132.1 Å²	132.1	69%	0.691	85%	0.854	S	S	*	*			trans	-177.7	118.8	179.5	0	0	0	0	0	110.7
743	A	33.2	Very low	35	Very low	103 Å²	103	133.2 Å²	133.2	85%	0.851	86%	0.86	S	S	*	*			trans	57.6	101.1	177.5	0	0	0	0	0	117.5
744	S	32.6	Very low	34.5	Very low	117 Å²	117	136 Å²	136	82%	0.818	87%	0.874	S	S	*	*				-179.6	81.7	117.1	58.1	0	0	0	0	113.9
745	T	35	Very low	34.4	Very low	223 Å²	223	136.7 Å²	136.7	100%	1.368	88%	0.878	S	S	*	*			trans	-176.8	0	138	39.1	0	0	0	0	107.4

Retrieved 745 of 745 residues in 571.6 ms (Link to these results)

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