A0A061IHQ7_CRIGR Loading...

Glycine receptor subunit alpha-3

AlphaFold DB , UniProt , Accession A0A061IHQ7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Glra3, Length 464 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	42.7	Very low	47.3	Very low	230 Å²	230	154.8 Å²	154.8	100%	1.133	77%	0.766	S	S	*	*				0	73.4	0	-70.8	173.6	-175.7	0	0	108.8	H3	M1-H3 PolarHBondContact O-N 3.12Å; M1-H3 VanDerWaalsContact O-N 3.12Å
2	A	49.2	Very low	47.6	Very low	107 Å²	107	148.3 Å²	148.3	88%	0.884	75%	0.746	S	S	*	*				58.7	7.3	81.9	0	0	0	0	0	116.6
3	H	49.3	Very low	47.8	Very low	171 Å²	171	139.6 Å²	139.6	79%	0.792	72%	0.717	S	S	*	*			trans	-128.5	12.9	-175	-119.1	-71	0	0	0	117.5	M1	M1-H3 PolarHBondContact O-N 3.12Å; M1-H3 VanDerWaalsContact O-N 3.12Å
4	V	48.8	Very low	48.1	Very low	134 Å²	134	140.5 Å²	140.5	81%	0.812	71%	0.714	S	S	*	*	S	Bend	trans	-118.1	-5.9	-177.9	-172.8	0	0	0	0	113.8
5	R	45.9	Very low	48.3	Very low	232 Å²	232	142.2 Å²	142.2	88%	0.875	71%	0.709	S	S	*	*	S	Bend	trans	-89.5	-10.4	177.4	-85.3	-175.4	-179.6	176.3	0.2	115.2
6	H	45.6	Very low	48.8	Very low	148 Å²	148	143.6 Å²	143.6	69%	0.685	71%	0.71	S	S	*	*	S	Bend	trans	-89	-14.4	-177.6	-99.7	-52	0	0	0	115.4
7	F	45.5	Very low	49.2	Very low	162 Å²	162	146.8 Å²	146.8	71%	0.711	71%	0.713	S	S	*	*	H	α-helix	trans	-88.5	-20.8	-174.3	-147	-97.1	0	0	0	114.1	V11	F7-V11 HydrophobicContact CE1-CG2 4.48Å
8	R	44.3	Very low	49.6	Very low	228 Å²	228	145.2 Å²	145.2	86%	0.86	70%	0.704	S	S	*	*	H	α-helix	trans	-78.9	-23.3	177.1	-100	-177.5	168.8	173.3	-2.9	113.8
9	T	49.8	Very low	50.1	Low	97 Å²	97	140 Å²	140	60%	0.595	69%	0.687	S	S	*	*	H	α-helix	trans	-85.7	-23.8	-178.2	-12.9	0	0	0	0	113	G13	T9-G13 PolarHBondContact O-N 3.46Å
10	L	49.2	Very low	50.6	Low	124 Å²	124	135.7 Å²	135.7	65%	0.649	67%	0.674	S	S	*	*	H	α-helix	trans	-78.3	-33.8	177.2	-84.8	159.2	0	0	0	112.9	F14	L10-F14 PolarHBondContact O-N 3.45Å
11	V	50.7	Low	51	Low	70 Å²	70	133.7 Å²	133.7	42%	0.424	67%	0.666	S	S	.	*	H	α-helix	trans	-74.1	-35.5	178.5	-179	0	0	0	0	111.5	F7 G13 Y15	F7-V11 HydrophobicContact CE1-CG2 4.48Å; V11-G13 VanDerWaalsContact C-N 3.35Å; V11-G13 PolarHBondContact O-N 3.49Å; V11-Y15 HydrophobicContact CG1-CD2 4.26Å; V11-Y15 HydrophobicContact CG1-CE2 3.73Å; V11-Y15 WeakPolarHBondContact O-CD2 3.17Å
12	S	50.4	Low	51.6	Low	76 Å²	76	128 Å²	128	53%	0.531	64%	0.639	S	S	.	*	H	α-helix	trans	-69.2	-29.2	175.4	168.1	0	0	0	0	113.5
13	G	49.6	Very low	51.9	Low	36 Å²	36	128.7 Å²	128.7	37%	0.371	63%	0.628	S	S	.	*	H	α-helix	trans	-74.5	-30.8	178.1	0	0	0	0	0	113.4	T9 V11 F16 W17	T9-G13 PolarHBondContact O-N 3.46Å; V11-G13 VanDerWaalsContact C-N 3.35Å; V11-G13 PolarHBondContact O-N 3.49Å; G13-F16 PolarHBondContact O-N 3.15Å; G13-W17 PolarHBondContact O-N 3.45Å; G13-W17 VanDerWaalsContact O-N 3.15Å
14	F	53.2	Low	52.2	Low	152 Å²	152	123.8 Å²	123.8	67%	0.667	61%	0.613	S	S	*	*	H	α-helix	trans	-71.7	-40.9	-178.3	-133	-91.1	0	0	0	112.4	L10 F16 W17 E18	L10-F14 PolarHBondContact O-N 3.45Å; F14-F16 VanDerWaalsContact C-N 3.31Å; F14-F16 PolarHBondContact O-N 3.45Å; F14-W17 PolarHBondContact O-N 3.13Å; F14-E18 PolarHBondContact O-N 3.39Å; F14-E18 VanDerWaalsContact O-N 3.13Å
15	Y	50.8	Low	52.3	Low	166 Å²	166	122.6 Å²	122.6	65%	0.651	60%	0.601	S	S	*	*	H	α-helix	trans	-68.5	-29.9	175.1	-69.2	-68	0	0	0	113.1	V11 A19	V11-Y15 HydrophobicContact CG1-CD2 4.26Å; V11-Y15 HydrophobicContact CG1-CE2 3.73Å; V11-Y15 WeakPolarHBondContact O-CD2 3.17Å; Y15-A19 VanDerWaalsContact O-CB 3.3Å; Y15-A19 WeakPolarHBondContact O-CB 3.3Å; Y15-A19 PolarHBondContact O-N 2.99Å; Y15-A19 VanDerWaalsContact O-N 3.09Å
16	F	55.8	Low	52.6	Low	164 Å²	164	116.4 Å²	116.4	72%	0.719	59%	0.589	S	S	*	*	H	α-helix	trans	-73.9	-34.1	177.2	-126.3	-88	0	0	0	112.2	G13 F14 A20	G13-F16 PolarHBondContact O-N 3.15Å; F14-F16 VanDerWaalsContact C-N 3.31Å; F14-F16 PolarHBondContact O-N 3.45Å; F16-A20 VanDerWaalsContact O-CB 3.25Å; F16-A20 WeakPolarHBondContact O-CB 3.44Å; F16-A20 PolarHBondContact O-N 3.4Å
17	W	56.3	Low	52.7	Low	199 Å²	199	113 Å²	113	75%	0.754	59%	0.586	S	S	*	*	H	α-helix	trans	-71.5	-41.5	174.9	-110.1	68.2	0	0	0	112.5	G13 F14 A20 L21	G13-W17 PolarHBondContact O-N 3.45Å; G13-W17 VanDerWaalsContact O-N 3.15Å; F14-W17 PolarHBondContact O-N 3.13Å; W17-A20 PolarHBondContact O-N 3.09Å; W17-L21 HydrophobicContact CE3-CD1 4.26Å; W17-L21 HydrophobicContact CZ3-CD1 4.34Å; W17-L21 WeakPolarHBondContact O-CB 3.25Å; W17-L21 PolarHBondContact O-N 3.44Å
18	E	56.2	Low	52.7	Low	118 Å²	118	110 Å²	110	55%	0.551	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-39.3	173.9	-80.9	-156.4	155.9	0	0	112.7	F14 L21 L22	F14-E18 PolarHBondContact O-N 3.39Å; F14-E18 VanDerWaalsContact O-N 3.13Å; E18-L21 PolarHBondContact O-N 2.81Å; E18-L22 WeakPolarHBondContact O-CB 3.35Å; E18-L22 WeakPolarHBondContact O-CG 3.28Å; E18-L22 PolarHBondContact O-N 2.93Å
19	A	59.2	Low	52.5	Low	46 Å²	46	107.8 Å²	107.8	38%	0.38	58%	0.578	S	S	.	*	H	α-helix	trans	-66.4	-38.3	175.6	0	0	0	0	0	112.1	Y15 L23	Y15-A19 VanDerWaalsContact O-CB 3.3Å; Y15-A19 WeakPolarHBondContact O-CB 3.3Å; Y15-A19 PolarHBondContact O-N 2.99Å; Y15-A19 VanDerWaalsContact O-N 3.09Å; A19-L23 VanDerWaalsContact O-CB 3.28Å; A19-L23 WeakPolarHBondContact O-CB 3.46Å; A19-L23 WeakPolarHBondContact O-CD1 3.1Å; A19-L23 WeakPolarHBondContact O-CG 3.4Å; A19-L23 PolarHBondContact O-N 3.37Å
20	A	59.7	Low	52.2	Low	53 Å²	53	110.9 Å²	110.9	44%	0.438	59%	0.585	S	S	.	*	H	α-helix	trans	-70.2	-34.1	175.5	0	0	0	0	0	112.5	F16 W17 S24	F16-A20 VanDerWaalsContact O-CB 3.25Å; F16-A20 WeakPolarHBondContact O-CB 3.44Å; F16-A20 PolarHBondContact O-N 3.4Å; W17-A20 PolarHBondContact O-N 3.09Å; A20-S24 WeakPolarHBondContact O-CB 3.44Å; A20-S24 PolarHBondContact O-N 2.86Å
21	L	58.5	Low	51.7	Low	95 Å²	95	111.3 Å²	111.3	50%	0.497	59%	0.594	S	S	.	*	H	α-helix	trans	-71.9	-37.8	175	-133.2	116.5	0	0	0	111.6	W17 E18 S24 L25	W17-L21 HydrophobicContact CE3-CD1 4.26Å; W17-L21 HydrophobicContact CZ3-CD1 4.34Å; W17-L21 WeakPolarHBondContact O-CB 3.25Å; W17-L21 PolarHBondContact O-N 3.44Å; E18-L21 PolarHBondContact O-N 2.81Å; L21-S24 PolarHBondContact O-N 2.92Å; L21-L25 HydrophobicContact CD2-CD1 4.22Å; L21-L25 WeakPolarHBondContact O-CB 3.17Å; L21-L25 WeakPolarHBondContact O-CG 3.5Å; L21-L25 PolarHBondContact O-N 2.86Å
22	L	56.2	Low	51.1	Low	110 Å²	110	113.1 Å²	113.1	58%	0.576	61%	0.609	S	S	*	*	H	α-helix	trans	-68.5	-40.1	172.8	-79.1	163.8	0	0	0	111.9	E18 L25 V26	E18-L22 WeakPolarHBondContact O-CB 3.35Å; E18-L22 WeakPolarHBondContact O-CG 3.28Å; E18-L22 PolarHBondContact O-N 2.93Å; L22-L25 PolarHBondContact O-N 2.88Å; L22-V26 WeakPolarHBondContact O-CB 3.47Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.46Å
23	L	55.3	Low	50.6	Low	122 Å²	122	114.1 Å²	114.1	64%	0.639	62%	0.616	S	S	*	*	H	α-helix	trans	-69.3	-33.4	173.3	-83.1	156.8	0	0	0	112.1	A19 V26 A27	A19-L23 VanDerWaalsContact O-CB 3.28Å; A19-L23 WeakPolarHBondContact O-CB 3.46Å; A19-L23 WeakPolarHBondContact O-CD1 3.1Å; A19-L23 WeakPolarHBondContact O-CG 3.4Å; A19-L23 PolarHBondContact O-N 3.37Å; L23-V26 PolarHBondContact O-N 3.37Å; L23-A27 WeakPolarHBondContact O-CB 3.17Å; L23-A27 PolarHBondContact O-N 3.08Å
24	S	54.5	Low	50.1	Low	68 Å²	68	116.2 Å²	116.2	48%	0.476	63%	0.63	S	S	.	*	H	α-helix	trans	-68.4	-40.2	171.9	178	0	0	0	0	111.9	A20 L21 A27 T28	A20-S24 WeakPolarHBondContact O-CB 3.44Å; A20-S24 PolarHBondContact O-N 2.86Å; L21-S24 PolarHBondContact O-N 2.92Å; S24-A27 PolarHBondContact O-N 3.01Å; S24-T28 WeakPolarHBondContact O-CG2 3.35Å; S24-T28 PolarHBondContact O-N 2.9Å; S24-T28 PolarHBondContact O-OG1 3.41Å
25	L	50.5	Low	49.5	Very low	109 Å²	109	119.5 Å²	119.5	57%	0.571	64%	0.638	S	S	*	*	H	α-helix	trans	-68.6	-34.3	175	-86.9	156.4	0	0	0	111.9	L21 L22 T28	L21-L25 HydrophobicContact CD2-CD1 4.22Å; L21-L25 WeakPolarHBondContact O-CB 3.17Å; L21-L25 WeakPolarHBondContact O-CG 3.5Å; L21-L25 PolarHBondContact O-N 2.86Å; L22-L25 PolarHBondContact O-N 2.88Å; L25-T28 WeakPolarHBondContact CA-OG1 3.21Å; L25-T28 PolarHBondContact O-OG1 2.91Å; L25-T28 VanDerWaalsContact O-OG1 3.08Å
26	V	52.4	Low	49.2	Very low	102 Å²	102	116.3 Å²	116.3	62%	0.618	64%	0.64	S	S	*	*	H	α-helix	trans	-75.5	-31.1	173.8	172.8	0	0	0	0	111.6	L22 L23 K29	L22-V26 WeakPolarHBondContact O-CB 3.47Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.46Å; L23-V26 PolarHBondContact O-N 3.37Å; V26-K29 WeakPolarHBondContact O-CB 3.49Å; V26-K29 PolarHBondContact O-N 2.8Å
27	A	47.8	Very low	48.8	Very low	76 Å²	76	119.5 Å²	119.5	63%	0.628	65%	0.647	S	S	*	*	H	α-helix	trans	-83.2	-19.6	176.5	0	0	0	0	0	114	L23 S24 K29	L23-A27 WeakPolarHBondContact O-CB 3.17Å; L23-A27 PolarHBondContact O-N 3.08Å; S24-A27 PolarHBondContact O-N 3.01Å; A27-K29 PolarHBondContact O-N 3.5Å
28	T	46.1	Very low	49.1	Very low	100 Å²	100	114.6 Å²	114.6	61%	0.613	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	2.8	163.3	49.3	0	0	0	0	113.1	S24 L25 E30	S24-T28 WeakPolarHBondContact O-CG2 3.35Å; S24-T28 PolarHBondContact O-N 2.9Å; S24-T28 PolarHBondContact O-OG1 3.41Å; L25-T28 WeakPolarHBondContact CA-OG1 3.21Å; L25-T28 PolarHBondContact O-OG1 2.91Å; L25-T28 VanDerWaalsContact O-OG1 3.08Å; T28-E30 PolarHBondContact O-N 3.29Å
29	K	40.9	Very low	49.6	Very low	181 Å²	181	113 Å²	113	79%	0.787	65%	0.651	S	S	*	*			trans	-75.3	58.7	151.2	-146.7	175.1	-173.1	178.6	0	107.6	V26 A27 T31	V26-K29 WeakPolarHBondContact O-CB 3.49Å; V26-K29 PolarHBondContact O-N 2.8Å; A27-K29 PolarHBondContact O-N 3.5Å; K29-T31 PolarHBondContact O-N 3.09Å; K29-T31 VanDerWaalsContact O-N 3.09Å
30	E	42	Very low	50.1	Low	161 Å²	161	116.2 Å²	116.2	75%	0.752	67%	0.668	S	S	*	*			trans	-43.3	124.9	152.5	-89.4	-169.7	155	0	0	104.9	T28 S32	T28-E30 PolarHBondContact O-N 3.29Å; E30-S32 PolarHBondContact O-N 2.65Å
31	T	39.8	Very low	51.1	Low	134 Å²	134	117.3 Å²	117.3	82%	0.822	66%	0.664	S	S	*	*			trans	-35.7	86.5	149.4	36.3	0	0	0	0	109.2	K29 S33	K29-T31 PolarHBondContact O-N 3.09Å; K29-T31 VanDerWaalsContact O-N 3.09Å; T31-S33 PolarHBondContact O-N 2.8Å
32	S	37.7	Very low	52.5	Low	108 Å²	108	114.9 Å²	114.9	76%	0.755	66%	0.655	S	S	*	*			trans	-59.9	83.2	130.7	67.1	0	0	0	0	103.7	E30 A34	E30-S32 PolarHBondContact O-N 2.65Å; S32-A34 PolarHBondContact O-N 2.73Å
33	S	39.3	Very low	53.9	Low	96 Å²	96	113.7 Å²	113.7	67%	0.671	65%	0.654	S	S	*	*			trans	-45.2	94.2	130.7	174.7	0	0	0	0	103.1	T31 R35	T31-S33 PolarHBondContact O-N 2.8Å; S33-R35 PolarHBondContact O-N 3.42Å; S33-R35 PolarHBondContact OG-N 2.69Å
34	A	39.7	Very low	55.3	Low	81 Å²	81	111.9 Å²	111.9	67%	0.669	65%	0.652	S	S	*	*			trans	-50.9	87.5	143.1	0	0	0	0	0	103	S32 S36	S32-A34 PolarHBondContact O-N 2.73Å; A34-S36 PolarHBondContact O-N 2.74Å
35	R	41.5	Very low	56.8	Low	221 Å²	221	113.2 Å²	113.2	83%	0.834	65%	0.654	S	S	*	*				-45	92.8	126.2	-95.5	-179.5	170.2	171.6	-2.9	102.2	S33 R37	S33-R35 PolarHBondContact O-N 3.42Å; S33-R35 PolarHBondContact OG-N 2.69Å; R35-R37 PolarHBondContact O-N 2.66Å
36	S	44	Very low	58.6	Low	99 Å²	99	108.3 Å²	108.3	69%	0.692	63%	0.628	S	S	*	*			trans	-40.1	88	143.1	165.8	0	0	0	0	103.7	A34 S38	A34-S36 PolarHBondContact O-N 2.74Å; S36-S38 PolarHBondContact O-N 2.9Å
37	R	46.6	Very low	60.2	Low	231 Å²	231	105.1 Å²	105.1	87%	0.872	61%	0.607	S	S	*	*			trans	-62.2	94.2	148.8	-82.6	-176.8	172.1	176.7	-2.1	99.6	R35 A39	R35-R37 PolarHBondContact O-N 2.66Å; R37-A39 VanDerWaalsContact C-N 3.35Å; R37-A39 PolarHBondContact O-N 2.86Å
38	S	63.1	Low	62	Low	95 Å²	95	106.1 Å²	106.1	66%	0.664	60%	0.602	S	S	*	*			trans	-41.4	111.7	167.9	48.7	0	0	0	0	104.5	S36 P40	S36-S38 PolarHBondContact O-N 2.9Å; S38-P40 VanDerWaalsContact O-N 3.13Å
39	A	65.9	Low	64	Low	86 Å²	86	106.2 Å²	106.2	71%	0.711	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-51.7	128.8	177	0	0	0	0	0	105.7	R37 M41	R37-A39 VanDerWaalsContact C-N 3.35Å; R37-A39 PolarHBondContact O-N 2.86Å; A39-M41 PolarHBondContact O-N 2.69Å; A39-M41 VanDerWaalsContact O-N 3.17Å
40	P	71.1	Confident	66.2	Low	113 Å²	113	98.6 Å²	98.6	73%	0.734	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-53.5	130.7	179.1	21	-30	0	0	0	107.3	S38 S42	S38-P40 VanDerWaalsContact O-N 3.13Å; P40-S42 PolarHBondContact O-N 3.49Å
41	M	80.9	Confident	68.4	Low	75 Å²	75	91.5 Å²	91.5	37%	0.369	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-49.7	142	178.7	-177.4	177.5	-71.7	0	0	108.8	A39 D45 F46 K49 Y111	A39-M41 PolarHBondContact O-N 2.69Å; A39-M41 VanDerWaalsContact O-N 3.17Å; M41-D45 HydrophobicContact CG-CB 3.94Å; M41-D45 HydrophobicContact SD-CB 4.43Å; M41-F46 HydrophobicContact CG-CB 4.28Å; M41-F46 HydrophobicContact SD-CB 3.96Å; M41-F46 HydrophobicContact SD-CD2 4.49Å; M41-K49 HydrophobicContact CE-CD 4.22Å; M41-K49 HydrophobicContact SD-CD 4.25Å; M41-Y111 PolarHBondContact O-OH 2.96Å
42	S	87.3	Confident	70.4	Confident	44 Å²	44	85.9 Å²	85.9	31%	0.308	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-61.2	146.7	178.4	84.2	0	0	0	0	110	P40 S44 D45 F46	P40-S42 PolarHBondContact O-N 3.49Å; S42-S44 PolarHBondContact O-N 3.17Å; S42-D45 WeakPolarHBondContact CB-OD2 3.47Å; S42-D45 PolarHBondContact O-N 2.78Å; S42-D45 WeakPolarHBondContact OG-CB 3.09Å; S42-D45 PolarHBondContact OG-N 2.73Å; S42-D45 VanDerWaalsContact OG-N 3.1Å; S42-D45 PolarHBondContact OG-OD2 2.99Å; S42-F46 WeakPolarHBondContact O-CB 3.34Å; S42-F46 PolarHBondContact O-N 3.23Å
43	P	85.7	Confident	72.2	Confident	85 Å²	85	92.9 Å²	92.9	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-56.9	-37.8	178.4	-27.8	35.4	0	0	0	112.7	F46 L47 Y111	P43-F46 PolarHBondContact O-N 3.36Å; P43-L47 VanDerWaalsContact O-CG 3.27Å; P43-L47 WeakPolarHBondContact O-CG 3.1Å; P43-L47 PolarHBondContact O-N 3.28Å; P43-Y111 WeakPolarHBondContact CA-OH 3.44Å
44	S	83.6	Confident	74.2	Confident	85 Å²	85	94.2 Å²	94.2	59%	0.594	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-48.8	177.2	-56.6	0	0	0	0	112.1	S42 F46 L47 D48	S42-S44 PolarHBondContact O-N 3.17Å; S44-F46 PolarHBondContact O-N 3.46Å; S44-L47 PolarHBondContact O-N 3.11Å; S44-D48 WeakPolarHBondContact O-CB 3.46Å; S44-D48 PolarHBondContact O-N 2.65Å
45	D	86.9	Confident	76.2	Confident	96 Å²	96	92.2 Å²	92.2	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-34	178.8	-62.5	-39.3	0	0	0	111.5	M41 S42 K49	M41-D45 HydrophobicContact CG-CB 3.94Å; M41-D45 HydrophobicContact SD-CB 4.43Å; S42-D45 WeakPolarHBondContact CB-OD2 3.47Å; S42-D45 PolarHBondContact O-N 2.78Å; S42-D45 WeakPolarHBondContact OG-CB 3.09Å; S42-D45 PolarHBondContact OG-N 2.73Å; S42-D45 VanDerWaalsContact OG-N 3.1Å; S42-D45 PolarHBondContact OG-OD2 2.99Å; D45-K49 VanDerWaalsContact O-CB 3.24Å; D45-K49 WeakPolarHBondContact O-CB 3.45Å; D45-K49 PolarHBondContact O-N 3.39Å
46	F	87.9	Confident	78.4	Confident	5 Å²	5	85.1 Å²	85.1	2%	0.022	49%	0.488	C	S	.	.	H	α-helix	trans	-67	-46.4	175.7	171.6	-100.9	0	0	0	112.3	M41 S42 P43 S44 D48 K49 L50 Y108 E110 Y111 L116	M41-F46 HydrophobicContact CG-CB 4.28Å; M41-F46 HydrophobicContact SD-CB 3.96Å; M41-F46 HydrophobicContact SD-CD2 4.49Å; S42-F46 WeakPolarHBondContact O-CB 3.34Å; S42-F46 PolarHBondContact O-N 3.23Å; P43-F46 PolarHBondContact O-N 3.36Å; S44-F46 PolarHBondContact O-N 3.46Å; F46-D48 VanDerWaalsContact C-N 3.34Å; F46-K49 WeakPolarHBondContact O-CB 3.46Å; F46-K49 PolarHBondContact O-N 3.07Å; F46-L50 HydrophobicContact CE1-CD2 4.29Å; F46-L50 HydrophobicContact CZ-CD2 4.21Å; F46-L50 WeakPolarHBondContact O-CB 3.26Å; F46-L50 PolarHBondContact O-N 3.06Å; F46-Y108 HydrophobicContact CE2-CG 4.28Å; F46-Y108 VanDerWaalsContact CZ-CB 3.49Å; F46-Y108 HydrophobicContact CZ-CD1 4.13Å; F46-Y108 HydrophobicContact CZ-CD2 4.11Å; F46-Y108 AromaticContact CZ-CG 3.66Å; F46-Y108 HydrophobicContact CZ-CG 3.66Å; F46-E110 HydrophobicContact CD2-CB 4.37Å; F46-E110 HydrophobicContact CE2-CB 4.34Å; F46-Y111 HydrophobicContact CB-CE2 3.71Å; F46-Y111 HydrophobicContact CD1-CD2 4.11Å; F46-Y111 AromaticContact CD1-CE2 3.77Å; F46-Y111 HydrophobicContact CD1-CE2 3.77Å; F46-Y111 AromaticContact CD2-CD2 3.9Å; F46-Y111 HydrophobicContact CD2-CD2 3.9Å; F46-Y111 AromaticContact CD2-CE2 3.76Å; F46-Y111 HydrophobicContact CD2-CE2 3.76Å; F46-Y111 HydrophobicContact CE1-CD2 4.23Å; F46-Y111 HydrophobicContact CE1-CE2 4.36Å; F46-Y111 HydrophobicContact CE2-CD2 4.02Å; F46-Y111 HydrophobicContact CE2-CE2 4.34Å; F46-Y111 AromaticContact CG-CD2 3.95Å; F46-Y111 HydrophobicContact CG-CD2 3.95Å; F46-Y111 AromaticContact CG-CE2 3.44Å; F46-Y111 HydrophobicContact CG-CE2 3.44Å; F46-Y111 VanDerWaalsContact CG-CE2 3.44Å; F46-Y111 HydrophobicContact CZ-CD2 4.19Å; F46-L116 HydrophobicContact CD1-CD1 4.29Å; F46-L116 HydrophobicContact CE1-CD1 3.39Å; F46-L116 HydrophobicContact CZ-CD1 3.92Å
47	L	86.6	Confident	80.8	Confident	35 Å²	35	81.8 Å²	81.8	18%	0.183	46%	0.461	C	S	.	.	H	α-helix	trans	-65.9	-38.4	177.8	-66.7	174.8	0	0	0	111.7	P43 S44 K49 L50 M51 L118 M122	P43-L47 VanDerWaalsContact O-CG 3.27Å; P43-L47 WeakPolarHBondContact O-CG 3.1Å; P43-L47 PolarHBondContact O-N 3.28Å; S44-L47 PolarHBondContact O-N 3.11Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-L50 PolarHBondContact O-N 3.29Å; L47-M51 HydrophobicContact CB-CE 4.34Å; L47-M51 HydrophobicContact CD2-CE 3.67Å; L47-M51 PolarHBondContact O-N 3.46Å; L47-L118 HydrophobicContact CD1-CD2 4.37Å; L47-L118 HydrophobicContact CD2-CD1 4.21Å; L47-L118 HydrophobicContact CD2-CD2 3.56Å; L47-M122 HydrophobicContact CB-CE 4.34Å
48	D	85.9	Confident	83	Confident	98 Å²	98	72.9 Å²	72.9	52%	0.524	43%	0.43	S	S	.	.	H	α-helix	trans	-65.6	-36.1	173.1	-90.4	-5.5	0	0	0	112.1	S44 F46 L50 G52 T54	S44-D48 WeakPolarHBondContact O-CB 3.46Å; S44-D48 PolarHBondContact O-N 2.65Å; F46-D48 VanDerWaalsContact C-N 3.34Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-G52 CarbonylContact O-C 3.6Å; D48-G52 WeakPolarHBondContact O-CA 3.42Å; D48-G52 PolarHBondContact O-N 3.03Å; D48-T54 PolarHBondContact O-OG1 3.46Å
49	K	87.3	Confident	84.5	Confident	101 Å²	101	69.8 Å²	69.8	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-66.8	-34.9	172.9	-177.2	-173.3	175.6	-168.1	0	112.3	M41 D45 F46 L47 S55 E110	M41-K49 HydrophobicContact CE-CD 4.22Å; M41-K49 HydrophobicContact SD-CD 4.25Å; D45-K49 VanDerWaalsContact O-CB 3.24Å; D45-K49 WeakPolarHBondContact O-CB 3.45Å; D45-K49 PolarHBondContact O-N 3.39Å; F46-K49 WeakPolarHBondContact O-CB 3.46Å; F46-K49 PolarHBondContact O-N 3.07Å; L47-K49 VanDerWaalsContact C-N 3.33Å; K49-S55 WeakPolarHBondContact O-CB 3.43Å; K49-E110 IonicContact NZ-OE1 2.89Å; K49-E110 PolarHBondContact NZ-OE1 3.47Å
50	L	87.9	Confident	85.8	Confident	21 Å²	21	75.2 Å²	75.2	11%	0.11	41%	0.412	C	S	.	.	H	α-helix	trans	-83.3	-41	-175.4	-165	67.3	0	0	0	112.7	F46 L47 D48 S55 L106	F46-L50 HydrophobicContact CE1-CD2 4.29Å; F46-L50 HydrophobicContact CZ-CD2 4.21Å; F46-L50 WeakPolarHBondContact O-CB 3.26Å; F46-L50 PolarHBondContact O-N 3.06Å; L47-L50 PolarHBondContact O-N 3.29Å; D48-L50 VanDerWaalsContact C-N 3.34Å; L50-S55 WeakPolarHBondContact O-CB 3.35Å; L50-L106 HydrophobicContact CD2-CD2 4.25Å; L50-L106 HydrophobicContact CG-CD2 4.07Å
51	M	87.2	Confident	87	Confident	13 Å²	13	73.1 Å²	73.1	6%	0.064	39%	0.394	C	S	.	.	H	α-helix	trans	-132.6	-4.7	-169.9	-58.8	175.7	-70.4	0	0	113.4	L47 L106 L118 M122 I126	L47-M51 HydrophobicContact CB-CE 4.34Å; L47-M51 HydrophobicContact CD2-CE 3.67Å; L47-M51 PolarHBondContact O-N 3.46Å; M51-L106 HydrophobicContact CG-CD2 3.74Å; M51-L106 HydrophobicContact SD-CD2 4.19Å; M51-L118 HydrophobicContact CE-CD1 4.02Å; M51-M122 HydrophobicContact CE-CE 3.49Å; M51-M122 VanDerWaalsContact CE-CE 3.49Å; M51-I126 HydrophobicContact CG-CG2 4.1Å; M51-I126 HydrophobicContact SD-CG2 3.21Å; M51-I126 WeakPolarHBondContact SD-CG2 3.24Å
52	G	81.4	Confident	87.8	Confident	16 Å²	16	70 Å²	70	17%	0.165	38%	0.378	C	S	.	.	S	Bend	trans	-81.4	-177.2	179.8	0	0	0	0	0	113	D48 T54 S55	D48-G52 CarbonylContact O-C 3.6Å; D48-G52 WeakPolarHBondContact O-CA 3.42Å; D48-G52 PolarHBondContact O-N 3.03Å; G52-T54 PolarHBondContact O-N 3.44Å; G52-T54 VanDerWaalsContact O-N 3.11Å; G52-S55 WeakPolarHBondContact O-CB 3.3Å; G52-S55 PolarHBondContact O-N 2.9Å; G52-S55 VanDerWaalsContact O-N 3.12Å; G52-S55 PolarHBondContact O-OG 2.84Å
53	R	77.1	Confident	88.2	Confident	255 Å²	255	67.9 Å²	67.9	96%	0.962	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	-173.6	-66.1	-178.8	179	179.6	0.2	114.2
54	T	79.6	Confident	88.7	Confident	123 Å²	123	67.5 Å²	67.5	76%	0.755	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.8	-178	50.8	0	0	0	0	113.3	D48 G52	D48-T54 PolarHBondContact O-OG1 3.46Å; G52-T54 PolarHBondContact O-N 3.44Å; G52-T54 VanDerWaalsContact O-N 3.11Å
55	S	82.2	Confident	89.2	Confident	40 Å²	40	69.6 Å²	69.6	28%	0.28	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-26.3	-177.5	70.2	0	0	0	0	113.8	K49 L50 G52 Y57	K49-S55 WeakPolarHBondContact O-CB 3.43Å; L50-S55 WeakPolarHBondContact O-CB 3.35Å; G52-S55 WeakPolarHBondContact O-CB 3.3Å; G52-S55 PolarHBondContact O-N 2.9Å; G52-S55 VanDerWaalsContact O-N 3.12Å; G52-S55 PolarHBondContact O-OG 2.84Å; S55-Y57 PolarHBondContact O-N 2.88Å; S55-Y57 WeakPolarHBondContact OG-CB 3.33Å; S55-Y57 PolarHBondContact OG-N 2.93Å
56	G	88.3	Confident	89.6	Confident	71 Å²	71	74 Å²	74	73%	0.732	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	8.3	-167.3	0	0	0	0	0	113.9
57	Y	93.9	Very high	89.9	Confident	30 Å²	30	75.4 Å²	75.4	12%	0.118	39%	0.386	C	S	.	.			trans	-68.7	127.8	174.5	-169.1	-83.1	0	0	0	110.5	S55 A59 D103 R105 L106 S125 I126 W127	S55-Y57 PolarHBondContact O-N 2.88Å; S55-Y57 WeakPolarHBondContact OG-CB 3.33Å; S55-Y57 PolarHBondContact OG-N 2.93Å; Y57-A59 HydrophobicContact CE1-CB 4.13Å; Y57-D103 WeakPolarHBondContact CE2-OD2 3.49Å; Y57-D103 PolarHBondContact OH-OD2 2.56Å; Y57-R105 HydrophobicContact CD2-CB 3.84Å; Y57-R105 HydrophobicContact CE2-CB 3.87Å; Y57-R105 PolarHBondContact OH-NH2 3.49Å; Y57-L106 HydrophobicContact CD2-CD2 3.98Å; Y57-L106 HydrophobicContact CE2-CD1 4.43Å; Y57-L106 HydrophobicContact CE2-CD2 3.57Å; Y57-L106 HydrophobicContact CE2-CG 3.84Å; Y57-S125 WeakPolarHBondContact CE1-O 3.3Å; Y57-I126 HydrophobicContact CE1-CB 4.49Å; Y57-W127 PolarHBondContact OH-N 3.22Å
58	D	93.6	Very high	90.5	Very high	43 Å²	43	78 Å²	78	23%	0.23	41%	0.405	C	S	.	.			trans	-119.6	109.2	173.7	-169.1	-20.5	0	0	0	109.6	R60 I61 R105	D58-R60 PolarHBondContact O-N 3.26Å; D58-R60 VanDerWaalsContact O-N 3.16Å; D58-R60 VanDerWaalsContact OD1-CB 3.29Å; D58-R60 WeakPolarHBondContact OD1-CB 3.45Å; D58-R60 WeakPolarHBondContact OD1-CG 3.45Å; D58-R60 IonicContact OD1-CZ 2.8Å; D58-R60 PolarHBondContact OD1-N 2.94Å; D58-R60 IonicContact OD1-NE 2.8Å; D58-R60 PolarHBondContact OD1-NE 3.33Å; D58-R60 IonicContact OD1-NH2 3.25Å; D58-R60 IonicContact OD2-CZ 3.52Å; D58-R60 IonicContact OD2-NE 2.89Å; D58-R60 PolarHBondContact OD2-NE 3.41Å; D58-R60 IonicContact OD2-NH2 3.83Å; D58-R60 PolarHBondContact OD2-NH2 3.28Å; D58-I61 HydrophobicContact CB-CD1 4.06Å; D58-I61 HydrophobicContact CB-CG1 4.18Å; D58-I61 PolarHBondContact O-N 2.97Å; D58-I61 VanDerWaalsContact O-N 3.09Å; D58-R105 PolarHBondContact O-NH1 2.96Å
59	A	93.9	Very high	91	Very high	30 Å²	30	75.1 Å²	75.1	25%	0.248	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.4	-179.6	0	0	0	0	0	113.7	Y57 I61 W127	Y57-A59 HydrophobicContact CE1-CB 4.13Å; A59-I61 VanDerWaalsContact C-N 3.3Å; A59-W127 WeakPolarHBondContact O-CA 3.16Å; A59-W127 WeakPolarHBondContact O-CB 3.35Å
60	R	93.8	Very high	91.5	Very high	201 Å²	201	70.6 Å²	70.6	76%	0.758	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.4	177.4	-57.3	170.4	-65.3	179.2	3.5	112.4	D58	D58-R60 PolarHBondContact O-N 3.26Å; D58-R60 VanDerWaalsContact O-N 3.16Å; D58-R60 VanDerWaalsContact OD1-CB 3.29Å; D58-R60 WeakPolarHBondContact OD1-CB 3.45Å; D58-R60 WeakPolarHBondContact OD1-CG 3.45Å; D58-R60 IonicContact OD1-CZ 2.8Å; D58-R60 PolarHBondContact OD1-N 2.94Å; D58-R60 IonicContact OD1-NE 2.8Å; D58-R60 PolarHBondContact OD1-NE 3.33Å; D58-R60 IonicContact OD1-NH2 3.25Å; D58-R60 IonicContact OD2-CZ 3.52Å; D58-R60 IonicContact OD2-NE 2.89Å; D58-R60 PolarHBondContact OD2-NE 3.41Å; D58-R60 IonicContact OD2-NH2 3.83Å; D58-R60 PolarHBondContact OD2-NH2 3.28Å
61	I	95.9	Very high	92	Very high	68 Å²	68	73.5 Å²	73.5	35%	0.349	39%	0.388	S	S	.	.	S	Bend	trans	-101.3	124.6	-176.9	-57.6	179.3	0	0	0	109	D58 A59 F65 R105	D58-I61 HydrophobicContact CB-CD1 4.06Å; D58-I61 HydrophobicContact CB-CG1 4.18Å; D58-I61 PolarHBondContact O-N 2.97Å; D58-I61 VanDerWaalsContact O-N 3.09Å; A59-I61 VanDerWaalsContact C-N 3.3Å; I61-F65 HydrophobicContact CG2-CB 3.61Å; I61-F65 HydrophobicContact CG2-CD1 4.32Å; I61-F65 HydrophobicContact CG2-CD2 4.14Å; I61-F65 HydrophobicContact CG2-CG 3.78Å; I61-R105 PolarHBondContact O-NH1 2.85Å; I61-R105 PolarHBondContact O-NH2 2.96Å; I61-R105 VanDerWaalsContact O-NH2 3.09Å
62	R	96.8	Very high	92.6	Very high	10 Å²	10	72.9 Å²	72.9	4%	0.038	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-61.7	152.5	176.5	71.2	169.1	-176.9	87.8	-12.4	112.3	N64 F65 G67 P68 W127 Y194 D198	R62-N64 PolarHBondContact NH1-O 2.99Å; R62-F65 HydrophobicContact CG-CD2 4.39Å; R62-F65 PolarHBondContact O-N 3.1Å; R62-G67 PolarHBondContact NH2-O 2.82Å; R62-G67 VanDerWaalsContact NH2-O 3.16Å; R62-P68 PolarHBondContact NH1-O 2.92Å; R62-W127 HydrophobicContact CB-CD2 4.49Å; R62-W127 HydrophobicContact CB-CZ2 3.98Å; R62-Y194 HydrophobicContact CB-CE1 4.2Å; R62-D198 IonicContact CZ-OD1 2.72Å; R62-D198 VanDerWaalsContact CZ-OD1 3.25Å; R62-D198 IonicContact NE-OD1 2.8Å; R62-D198 PolarHBondContact NE-OD1 2.63Å; R62-D198 IonicContact NH2-OD1 3.83Å; R62-D198 PolarHBondContact NH2-OD1 2.87Å
63	P	97.3	Very high	93.4	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	146	168	-23.8	31.7	0	0	0	112	F65 V70 D103 W127	P63-F65 VanDerWaalsContact C-N 3.25Å; P63-F65 PolarHBondContact O-N 3.26Å; P63-V70 HydrophobicContact CB-CG2 4.06Å; P63-V70 HydrophobicContact CG-CG2 4.33Å; P63-V70 WeakPolarHBondContact O-CG2 3.49Å; P63-D103 HydrophobicContact CB-CB 4.34Å; P63-D103 HydrophobicContact CG-CB 3.88Å; P63-W127 VanDerWaalsContact CD-CD2 3.46Å; P63-W127 HydrophobicContact CG-CD2 4.35Å; P63-W127 HydrophobicContact CG-CE3 3.83Å; P63-W127 HydrophobicContact CG-CZ3 4.13Å
64	N	95.4	Very high	94.4	Very high	77 Å²	77	62 Å²	62	41%	0.412	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	39.3	179	-57.4	-43.8	0	0	0	113.5	R62 K66 G67	R62-N64 PolarHBondContact NH1-O 2.99Å; N64-K66 PolarHBondContact O-N 2.61Å; N64-G67 VanDerWaalsContact O-CA 3.25Å; N64-G67 WeakPolarHBondContact O-CA 3.24Å; N64-G67 PolarHBondContact O-N 2.83Å
65	F	94.8	Very high	95.2	Very high	129 Å²	129	56.3 Å²	56.3	57%	0.566	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	134.3	178.5	-177.9	-111.1	0	0	0	111.9	I61 R62 P63 G67	I61-F65 HydrophobicContact CG2-CB 3.61Å; I61-F65 HydrophobicContact CG2-CD1 4.32Å; I61-F65 HydrophobicContact CG2-CD2 4.14Å; I61-F65 HydrophobicContact CG2-CG 3.78Å; R62-F65 HydrophobicContact CG-CD2 4.39Å; R62-F65 PolarHBondContact O-N 3.1Å; P63-F65 VanDerWaalsContact C-N 3.25Å; P63-F65 PolarHBondContact O-N 3.26Å; F65-G67 PolarHBondContact O-N 3.09Å
66	K	94.3	Very high	96	Very high	187 Å²	187	54.4 Å²	54.4	81%	0.813	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	0.7	-168.3	-55.3	178.5	176.5	178.9	0	116	N64	N64-K66 PolarHBondContact O-N 2.61Å
67	G	95.4	Very high	96.5	Very high	35 Å²	35	53.3 Å²	53.3	36%	0.361	27%	0.271	S	S	.	.	S	Bend	trans	-100.8	-160.1	173	0	0	0	0	0	112.3	R62 N64 F65	R62-G67 PolarHBondContact NH2-O 2.82Å; R62-G67 VanDerWaalsContact NH2-O 3.16Å; N64-G67 VanDerWaalsContact O-CA 3.25Å; N64-G67 WeakPolarHBondContact O-CA 3.24Å; N64-G67 PolarHBondContact O-N 2.83Å; F65-G67 PolarHBondContact O-N 3.09Å
68	P	97.6	Very high	96.7	Very high	89 Å²	89	51.9 Å²	51.9	58%	0.578	27%	0.265	S	S	*	.	S	Bend	trans	-60.6	162.8	-179.8	27.4	-35.1	0	0	0	112.3	R62	R62-P68 PolarHBondContact NH1-O 2.92Å
69	P	97.8	Very high	96.8	Very high	39 Å²	39	52.5 Å²	52.5	25%	0.253	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-59.6	150.2	172.7	24.3	-32.9	0	0	0	111	N71 D198 I200	P69-N71 PolarHBondContact O-N 3.13Å; P69-D198 WeakPolarHBondContact CA-O 3.45Å; P69-I200 HydrophobicContact CB-CD1 3.99Å; P69-I200 HydrophobicContact CB-CG1 3.95Å; P69-I200 HydrophobicContact CG-CD1 3.58Å; P69-I200 HydrophobicContact CG-CG1 4.13Å
70	V	98.3	Very high	97	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.036	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.6	171.3	-177.5	0	0	0	0	108	P63 V72 W101 W127 D198 L199 I200	P63-V70 HydrophobicContact CB-CG2 4.06Å; P63-V70 HydrophobicContact CG-CG2 4.33Å; P63-V70 WeakPolarHBondContact O-CG2 3.49Å; V70-V72 HydrophobicContact CG1-CG2 4.2Å; V70-W101 HydrophobicContact CG1-CB 4.02Å; V70-W127 HydrophobicContact CB-CH2 4.44Å; V70-W127 HydrophobicContact CG1-CH2 4.19Å; V70-W127 HydrophobicContact CG1-CZ3 4.27Å; V70-D198 PolarHBondContact N-O 2.99Å; V70-L199 HydrophobicContact CB-CD1 3.97Å; V70-L199 HydrophobicContact CG1-CD1 4.4Å; V70-I200 PolarHBondContact O-N 3.04Å
71	N	98.1	Very high	97.1	Very high	81 Å²	81	44.6 Å²	44.6	43%	0.433	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.2	172.7	-66.8	-6.9	0	0	0	108.7	P69	P69-N71 PolarHBondContact O-N 3.13Å
72	V	98.5	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116	176	-174.3	0	0	0	0	108.5	V70 Q99 K100 W101 P129 L199 I200 F201 E202	V70-V72 HydrophobicContact CG1-CG2 4.2Å; V72-Q99 HydrophobicContact CG1-CB 4.01Å; V72-Q99 HydrophobicContact CG1-CG 4.39Å; V72-K100 CarbonylContact C-O 3.56Å; V72-K100 WeakPolarHBondContact CA-O 3.44Å; V72-W101 HydrophobicContact CG2-CB 4.13Å; V72-P129 HydrophobicContact CG1-CG 4.07Å; V72-P129 HydrophobicContact CG2-CB 4.24Å; V72-P129 HydrophobicContact CG2-CG 3.71Å; V72-L199 HydrophobicContact CG2-CD1 3.54Å; V72-I200 PolarHBondContact N-O 2.8Å; V72-F201 HydrophobicContact CB-CD1 3.85Å; V72-F201 HydrophobicContact CB-CE1 4.09Å; V72-F201 HydrophobicContact CG1-CD1 4.46Å; V72-F201 HydrophobicContact CG1-CE1 4.46Å; V72-F201 HydrophobicContact CG2-CD1 4.31Å; V72-F201 HydrophobicContact CG2-CE1 4.19Å; V72-F201 WeakPolarHBondContact O-CA 3.38Å; V72-E202 PolarHBondContact O-N 2.96Å
73	T	98.3	Very high	97	Very high	43 Å²	43	45.2 Å²	45.2	26%	0.264	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.6	175.5	-46.3	0	0	0	0	109.8	K100 E202 Q204	T73-K100 PolarHBondContact N-O 2.78Å; T73-K100 PolarHBondContact O-N 3.45Å; T73-E202 CarbonylContact C-O 3.51Å; T73-E202 WeakPolarHBondContact CA-O 3.42Å; T73-Q204 VanDerWaalsContact CG2-CA 3.42Å; T73-Q204 HydrophobicContact CG2-CB 3.73Å; T73-Q204 HydrophobicContact CG2-CG 4.18Å
74	C	98.3	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.3	-176.8	-67.1	0	0	0	0	111.2	R98 E202 W203 Q204 I243	C74-R98 WeakPolarHBondContact CA-O 3.27Å; C74-E202 PolarHBondContact N-O 3.05Å; C74-W203 HydrophobicContact CB-CE3 4.44Å; C74-W203 HydrophobicContact CB-CZ3 4.46Å; C74-Q204 PolarHBondContact O-N 2.85Å; C74-I243 HydrophobicContact CB-CD1 3.78Å
75	N	97.7	Very high	97	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.9	161.3	70.7	83.9	0	0	0	110	R98 Q204 P208	N75-R98 PolarHBondContact N-O 3.11Å; N75-R98 WeakPolarHBondContact ND2-CB 3.25Å; N75-R98 PolarHBondContact O-N 2.63Å; N75-R98 WeakPolarHBondContact OD1-CB 3.44Å; N75-R98 VanDerWaalsContact OD1-CD 3.25Å; N75-R98 WeakPolarHBondContact OD1-CD 3.49Å; N75-R98 WeakPolarHBondContact OD1-CG 3.38Å; N75-R98 PolarHBondContact OD1-NH1 3.41Å; N75-Q204 HydrophobicContact CB-CB 4.14Å; N75-Q204 PolarHBondContact ND2-OE1 2.92Å; N75-P208 CarbonylContact C-O 3.57Å; N75-P208 VanDerWaalsContact CA-O 3.25Å; N75-P208 WeakPolarHBondContact CA-O 3.5Å; N75-P208 WeakPolarHBondContact CB-O 3.38Å
76	I	98.3	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.3	177.8	62	172.7	0	0	0	110.6	I95 F96 L97 M187 W203 P208 V209 Q210 V245 F247	I76-I95 HydrophobicContact CG2-CD1 4.39Å; I76-F96 WeakPolarHBondContact CA-O 3.42Å; I76-L97 HydrophobicContact CG2-CD1 3.98Å; I76-M187 HydrophobicContact CD1-SD 4.03Å; I76-W203 HydrophobicContact CG2-CZ3 4.46Å; I76-P208 PolarHBondContact N-O 3.32Å; I76-V209 HydrophobicContact CD1-CG1 4.12Å; I76-V209 HydrophobicContact CD1-CG2 4.11Å; I76-V209 HydrophobicContact CG1-CB 4.24Å; I76-V209 HydrophobicContact CG1-CG1 4.07Å; I76-V209 HydrophobicContact CG1-CG2 3.94Å; I76-Q210 PolarHBondContact O-N 3.25Å; I76-V245 HydrophobicContact CD1-CG1 4.08Å; I76-F247 HydrophobicContact CD1-CZ 4.25Å
77	F	98.2	Very high	97	Very high	48 Å²	48	33.4 Å²	33.4	21%	0.211	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.8	167.9	-179.6	-86.8	0	0	0	109.1	N79 I95 F96 Q210 A212	F77-N79 HydrophobicContact CD1-CB 4.21Å; F77-N79 HydrophobicContact CE1-CB 4.11Å; F77-N79 PolarHBondContact O-N 2.82Å; F77-I95 CarbonylContact O-C 3.47Å; F77-I95 WeakPolarHBondContact O-CA 3.41Å; F77-F96 HydrophobicContact CB-CB 4.12Å; F77-F96 HydrophobicContact CB-CD2 4Å; F77-F96 HydrophobicContact CB-CG 4.46Å; F77-F96 AromaticContact CD1-CD2 3.47Å; F77-F96 HydrophobicContact CD1-CD2 3.47Å; F77-F96 VanDerWaalsContact CD1-CD2 3.47Å; F77-F96 AromaticContact CD1-CE2 3.75Å; F77-F96 HydrophobicContact CD1-CE2 3.75Å; F77-F96 HydrophobicContact CD1-CG 4.39Å; F77-F96 HydrophobicContact CE1-CD2 4.27Å; F77-F96 HydrophobicContact CE1-CE2 4.09Å; F77-F96 AromaticContact CG-CD2 3.99Å; F77-F96 HydrophobicContact CG-CD2 3.99Å; F77-F96 PolarHBondContact N-O 2.96Å; F77-F96 PolarHBondContact O-N 3.04Å; F77-Q210 CarbonylContact C-O 3.53Å; F77-Q210 WeakPolarHBondContact CA-O 3.42Å; F77-Q210 HydrophobicContact CD2-CB 3.61Å; F77-Q210 HydrophobicContact CE2-CB 4.29Å; F77-Q210 HydrophobicContact CG-CB 4.45Å; F77-A212 HydrophobicContact CE1-CB 4.1Å; F77-A212 HydrophobicContact CZ-CB 3.87Å
78	I	98.1	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104.6	178.6	-56.7	-179.4	0	0	0	108.5	F81 I95 V209 Q210 V211 A212 L215 F247	I78-F81 HydrophobicContact CD1-CD2 4.47Å; I78-F81 HydrophobicContact CG2-CB 4.09Å; I78-F81 HydrophobicContact CG2-CD2 4.21Å; I78-I95 HydrophobicContact CG1-CG2 4.4Å; I78-V209 HydrophobicContact CD1-CG1 4.1Å; I78-Q210 PolarHBondContact N-O 2.78Å; I78-V211 HydrophobicContact CB-CG2 4.46Å; I78-V211 HydrophobicContact CD1-CG2 4.27Å; I78-A212 WeakPolarHBondContact O-CB 3.42Å; I78-A212 PolarHBondContact O-N 2.9Å; I78-L215 HydrophobicContact CG2-CD2 3.98Å; I78-F247 HydrophobicContact CD1-CD1 4.31Å; I78-F247 HydrophobicContact CD1-CE1 3.41Å; I78-F247 VanDerWaalsContact CD1-CE1 3.41Å; I78-F247 HydrophobicContact CD1-CZ 3.67Å
79	N	97.1	Very high	97	Very high	57 Å²	57	33.7 Å²	33.7	31%	0.305	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-34.3	178.3	-175.8	56.5	0	0	0	112	F77 N94 F96	F77-N79 HydrophobicContact CD1-CB 4.21Å; F77-N79 HydrophobicContact CE1-CB 4.11Å; F77-N79 PolarHBondContact O-N 2.82Å; N79-N94 PolarHBondContact N-O 3.43Å; N79-N94 PolarHBondContact ND2-OD1 2.66Å; N79-F96 HydrophobicContact CB-CZ 4.44Å
80	S	96.8	Very high	97	Very high	57 Å²	57	33 Å²	33	40%	0.399	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.4	173.6	177.9	0	0	0	0	110.4	V93 N94	S80-V93 CarbonylContact O-C 3.56Å; S80-V93 WeakPolarHBondContact O-CA 3.34Å; S80-N94 PolarHBondContact N-O 2.97Å; S80-N94 PolarHBondContact O-N 2.9Å
81	F	97.3	Very high	97	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	125.6	175.4	-161.7	-59.5	0	0	0	108.3	I78 I84 Y91 V93 L215 L217 F247 L249	I78-F81 HydrophobicContact CD1-CD2 4.47Å; I78-F81 HydrophobicContact CG2-CB 4.09Å; I78-F81 HydrophobicContact CG2-CD2 4.21Å; F81-I84 HydrophobicContact CE1-CD1 4.07Å; F81-I84 HydrophobicContact CE1-CG1 4.23Å; F81-Y91 HydrophobicContact CD1-CD2 4.46Å; F81-Y91 AromaticContact CE1-CD2 3.63Å; F81-Y91 HydrophobicContact CE1-CD2 3.63Å; F81-Y91 HydrophobicContact CE1-CE2 4.28Å; F81-Y91 HydrophobicContact CE1-CG 4.37Å; F81-Y91 HydrophobicContact CE2-CD2 4.06Å; F81-Y91 AromaticContact CE2-CE2 3.9Å; F81-Y91 HydrophobicContact CE2-CE2 3.9Å; F81-Y91 AromaticContact CZ-CD2 3.39Å; F81-Y91 HydrophobicContact CZ-CD2 3.39Å; F81-Y91 AromaticContact CZ-CE2 3.57Å; F81-Y91 HydrophobicContact CZ-CE2 3.57Å; F81-Y91 HydrophobicContact CZ-CG 4.33Å; F81-V93 HydrophobicContact CB-CG1 4.49Å; F81-V93 HydrophobicContact CD1-CG1 4.37Å; F81-V93 HydrophobicContact CD2-CG1 3.55Å; F81-V93 HydrophobicContact CE2-CG1 3.75Å; F81-V93 HydrophobicContact CG-CG1 3.89Å; F81-V93 HydrophobicContact CZ-CG1 4.26Å; F81-L215 HydrophobicContact CB-CD2 3.9Å; F81-L217 HydrophobicContact CB-CD2 4.38Å; F81-L217 HydrophobicContact CD1-CD2 3.44Å; F81-L217 VanDerWaalsContact CD1-CD2 3.44Å; F81-L217 HydrophobicContact CE1-CD2 4.06Å; F81-L217 HydrophobicContact CG-CD2 4.2Å; F81-F247 HydrophobicContact CE2-CB 4.28Å; F81-F247 HydrophobicContact CE2-CD1 4.34Å; F81-F247 AromaticContact CE2-CD2 3.92Å; F81-F247 HydrophobicContact CE2-CD2 3.92Å; F81-F247 HydrophobicContact CE2-CE2 4.36Å; F81-F247 AromaticContact CE2-CG 3.91Å; F81-F247 HydrophobicContact CE2-CG 3.91Å; F81-F247 HydrophobicContact CZ-CB 4.36Å; F81-F247 HydrophobicContact CZ-CD2 4.4Å; F81-F247 HydrophobicContact CZ-CG 4.41Å; F81-L249 HydrophobicContact CE1-CD1 4.02Å; F81-L249 HydrophobicContact CE1-CD2 4.03Å; F81-L249 HydrophobicContact CZ-CD1 4.07Å; F81-L249 HydrophobicContact CZ-CD2 4.15Å
82	G	94.9	Very high	97	Very high	17 Å²	17	34.8 Å²	34.8	18%	0.175	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-157.2	179.6	0	0	0	0	0	113.7	I84 R92	G82-I84 PolarHBondContact O-N 2.87Å; G82-I84 VanDerWaalsContact O-N 3.11Å; G82-R92 PolarHBondContact N-O 2.92Å; G82-R92 PolarHBondContact O-N 3.22Å
83	S	94.6	Very high	97	Very high	75 Å²	75	34.9 Å²	34.9	52%	0.524	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.2	40.1	-177.2	-54.7	0	0	0	0	112.4	A85	S83-A85 PolarHBondContact O-N 2.9Å
84	I	96.8	Very high	97	Very high	17 Å²	17	33.4 Å²	33.4	9%	0.087	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	117.9	174.7	-59.4	160.9	0	0	0	106.6	F81 G82 M173 L217 F220 L249	F81-I84 HydrophobicContact CE1-CD1 4.07Å; F81-I84 HydrophobicContact CE1-CG1 4.23Å; G82-I84 PolarHBondContact O-N 2.87Å; G82-I84 VanDerWaalsContact O-N 3.11Å; I84-M173 HydrophobicContact CG2-CE 3.56Å; I84-L217 HydrophobicContact CD1-CD2 3.77Å; I84-F220 HydrophobicContact CB-CD2 4.47Å; I84-F220 HydrophobicContact CB-CE2 4.04Å; I84-F220 HydrophobicContact CD1-CB 4.41Å; I84-F220 HydrophobicContact CD1-CD2 3.43Å; I84-F220 VanDerWaalsContact CD1-CD2 3.43Å; I84-F220 HydrophobicContact CD1-CE2 3.8Å; I84-F220 HydrophobicContact CD1-CG 4.02Å; I84-F220 HydrophobicContact CG2-CE2 3.79Å; I84-F220 HydrophobicContact CG2-CZ 4.09Å; I84-L249 HydrophobicContact CD1-CD1 3.92Å; I84-L249 HydrophobicContact CD1-CD2 4.5Å
85	A	96.1	Very high	97	Very high	26 Å²	26	33.4 Å²	33.4	22%	0.215	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.6	-176.9	0	0	0	0	0	109.7	S83 T87 T88 M89 D90	S83-A85 PolarHBondContact O-N 2.9Å; A85-T87 VanDerWaalsContact C-N 3.3Å; A85-T87 PolarHBondContact O-N 2.85Å; A85-T88 WeakPolarHBondContact CB-OG1 3.44Å; A85-M89 WeakPolarHBondContact O-CA 2.97Å; A85-M89 PolarHBondContact O-N 3.49Å; A85-D90 PolarHBondContact N-O 2.69Å; A85-D90 PolarHBondContact O-N 3.12Å
86	E	95.1	Very high	97	Very high	19 Å²	19	36 Å²	36	9%	0.089	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-32.6	179.3	-64.6	81	177.4	0	0	111.7	M89 M173 R251 L307 P308	E86-M89 PolarHBondContact O-N 3.44Å; E86-M173 HydrophobicContact CB-SD 4.42Å; E86-M173 HydrophobicContact CG-SD 3.98Å; E86-R251 IonicContact OE1-CZ 3.28Å; E86-R251 IonicContact OE1-NH1 2.74Å; E86-R251 PolarHBondContact OE1-NH1 3.43Å; E86-R251 IonicContact OE1-NH2 3.94Å; E86-R251 PolarHBondContact OE1-NH2 3.1Å; E86-L307 HydrophobicContact CB-CD2 4.29Å; E86-L307 HydrophobicContact CG-CD2 4.42Å; E86-P308 VanDerWaalsContact O-CD 3.3Å; E86-P308 WeakPolarHBondContact O-CD 3.19Å; E86-P308 WeakPolarHBondContact O-CG 3.3Å
87	T	94.8	Very high	97	Very high	83 Å²	83	36.1 Å²	36.1	51%	0.509	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-41.1	-177.8	51.1	0	0	0	0	112.5	A85 S306	A85-T87 VanDerWaalsContact C-N 3.3Å; A85-T87 PolarHBondContact O-N 2.85Å; T87-S306 WeakPolarHBondContact CG2-O 3.26Å
88	T	96.1	Very high	97.1	Very high	74 Å²	74	37 Å²	37	45%	0.454	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-11.2	178	46.7	0	0	0	0	112.7	A85 D90 K137	A85-T88 WeakPolarHBondContact CB-OG1 3.44Å; T88-D90 VanDerWaalsContact CB-OD2 3.32Å; T88-D90 WeakPolarHBondContact CB-OD2 3.38Å; T88-D90 VanDerWaalsContact OG1-CG 3.28Å; T88-D90 PolarHBondContact OG1-OD1 3.15Å; T88-D90 PolarHBondContact OG1-OD2 2.85Å; T88-K137 PolarHBondContact O-NZ 2.91Å
89	M	96.7	Very high	97.1	Very high	56 Å²	56	37.3 Å²	37.3	28%	0.276	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	53	-175.6	-63.9	-175.6	171.5	0	0	111.5	A85 E86 K137 C171 P308	A85-M89 WeakPolarHBondContact O-CA 2.97Å; A85-M89 PolarHBondContact O-N 3.49Å; E86-M89 PolarHBondContact O-N 3.44Å; M89-K137 PolarHBondContact O-NZ 2.96Å; M89-C171 CarbonylContact C-O 3.37Å; M89-C171 WeakPolarHBondContact CB-O 3.32Å; M89-C171 PolarHBondContact O-N 2.86Å; M89-P308 HydrophobicContact CE-CB 4.26Å; M89-P308 HydrophobicContact CE-CG 4.05Å
90	D	97.9	Very high	97.1	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.123	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	167.8	174.8	45.8	43.6	0	0	0	112.7	A85 T88 K137 T168 L169	A85-D90 PolarHBondContact N-O 2.69Å; A85-D90 PolarHBondContact O-N 3.12Å; T88-D90 VanDerWaalsContact CB-OD2 3.32Å; T88-D90 WeakPolarHBondContact CB-OD2 3.38Å; T88-D90 VanDerWaalsContact OG1-CG 3.28Å; T88-D90 PolarHBondContact OG1-OD1 3.15Å; T88-D90 PolarHBondContact OG1-OD2 2.85Å; D90-K137 HydrophobicContact CB-CD 4.04Å; D90-K137 WeakPolarHBondContact OD2-CD 3.32Å; D90-K137 IonicContact OD2-NZ 3.86Å; D90-K137 PolarHBondContact OD2-NZ 3.17Å; D90-T168 HydrophobicContact CB-CG2 4.03Å; D90-L169 WeakPolarHBondContact CA-O 3.44Å; D90-L169 WeakPolarHBondContact CB-O 3.4Å
91	Y	98.1	Very high	97.2	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.5	175.3	69	-74.2	0	0	0	109.4	F81 V93 T168 L169 C171 C185 I186 F247	F81-Y91 HydrophobicContact CD1-CD2 4.46Å; F81-Y91 AromaticContact CE1-CD2 3.63Å; F81-Y91 HydrophobicContact CE1-CD2 3.63Å; F81-Y91 HydrophobicContact CE1-CE2 4.28Å; F81-Y91 HydrophobicContact CE1-CG 4.37Å; F81-Y91 HydrophobicContact CE2-CD2 4.06Å; F81-Y91 AromaticContact CE2-CE2 3.9Å; F81-Y91 HydrophobicContact CE2-CE2 3.9Å; F81-Y91 AromaticContact CZ-CD2 3.39Å; F81-Y91 HydrophobicContact CZ-CD2 3.39Å; F81-Y91 AromaticContact CZ-CE2 3.57Å; F81-Y91 HydrophobicContact CZ-CE2 3.57Å; F81-Y91 HydrophobicContact CZ-CG 4.33Å; Y91-V93 HydrophobicContact CD2-CG1 3.6Å; Y91-V93 HydrophobicContact CE2-CG1 3.5Å; Y91-T168 WeakPolarHBondContact O-CA 3.03Å; Y91-L169 HydrophobicContact CD1-CB 4.06Å; Y91-L169 VanDerWaalsContact CD1-O 3.3Å; Y91-L169 WeakPolarHBondContact CD1-O 3.32Å; Y91-L169 HydrophobicContact CE1-CB 3.45Å; Y91-L169 VanDerWaalsContact CE1-CB 3.45Å; Y91-L169 HydrophobicContact CE1-CD1 4.38Å; Y91-L169 HydrophobicContact CE2-CB 4.34Å; Y91-L169 HydrophobicContact CE2-CD1 4.06Å; Y91-L169 PolarHBondContact N-O 3.25Å; Y91-L169 PolarHBondContact O-N 2.85Å; Y91-L169 VanDerWaalsContact OH-CD1 3.26Å; Y91-L169 WeakPolarHBondContact OH-CD1 3.34Å; Y91-C171 HydrophobicContact CD1-CB 3.61Å; Y91-C171 HydrophobicContact CE1-CB 3.87Å; Y91-C185 HydrophobicContact CD1-CB 4.01Å; Y91-C185 HydrophobicContact CE1-CB 3.7Å; Y91-I186 PolarHBondContact OH-O 2.81Å; Y91-F247 HydrophobicContact CE2-CD2 4.5Å
92	R	98.2	Very high	97.2	Very high	125 Å²	125	38.2 Å²	38.2	47%	0.472	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.8	-179.2	-163.4	172.2	62.8	152.5	1.4	111.1	G82 T166 L167	G82-R92 PolarHBondContact N-O 2.92Å; G82-R92 PolarHBondContact O-N 3.22Å; R92-T166 HydrophobicContact CG-CG2 3.88Å; R92-L167 CarbonylContact C-O 3.5Å; R92-L167 VanDerWaalsContact CA-O 3.28Å; R92-L167 WeakPolarHBondContact CA-O 3.24Å; R92-L167 WeakPolarHBondContact CG-O 3.27Å
93	V	98.1	Very high	97.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.2	178.7	-65.3	0	0	0	0	111	S80 F81 Y91 I95 T166 L167 L169 M187	S80-V93 CarbonylContact O-C 3.56Å; S80-V93 WeakPolarHBondContact O-CA 3.34Å; F81-V93 HydrophobicContact CB-CG1 4.49Å; F81-V93 HydrophobicContact CD1-CG1 4.37Å; F81-V93 HydrophobicContact CD2-CG1 3.55Å; F81-V93 HydrophobicContact CE2-CG1 3.75Å; F81-V93 HydrophobicContact CG-CG1 3.89Å; F81-V93 HydrophobicContact CZ-CG1 4.26Å; Y91-V93 HydrophobicContact CD2-CG1 3.6Å; Y91-V93 HydrophobicContact CE2-CG1 3.5Å; V93-I95 HydrophobicContact CB-CG2 4.2Å; V93-I95 HydrophobicContact CG2-CG2 4.11Å; V93-T166 CarbonylContact O-C 3.53Å; V93-T166 WeakPolarHBondContact O-CA 3.39Å; V93-L167 HydrophobicContact CG2-CB 3.93Å; V93-L167 HydrophobicContact CG2-CD1 4.43Å; V93-L167 PolarHBondContact N-O 3.23Å; V93-L167 PolarHBondContact O-N 3.48Å; V93-L169 HydrophobicContact CG2-CD1 3.91Å; V93-M187 HydrophobicContact CG2-CE 3.74Å
94	N	98.1	Very high	97.4	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118	167.2	-169.1	-107.5	0	0	0	107.6	N79 S80 H142 R164 L165 T166	N79-N94 PolarHBondContact N-O 3.43Å; N79-N94 PolarHBondContact ND2-OD1 2.66Å; S80-N94 PolarHBondContact N-O 2.97Å; S80-N94 PolarHBondContact O-N 2.9Å; N94-H142 PolarHBondContact ND2-CE1 2.85Å; N94-H142 PolarHBondContact ND2-NE2 3.45Å; N94-H142 VanDerWaalsContact ND2-NE2 3.16Å; N94-R164 PolarHBondContact OD1-NE 2.92Å; N94-R164 PolarHBondContact OD1-NH2 2.82Å; N94-L165 WeakPolarHBondContact CA-O 3.29Å; N94-L165 PolarHBondContact ND2-O 3.2Å; N94-T166 PolarHBondContact ND2-OG1 2.95Å
95	I	98.3	Very high	97.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.2	-175.3	66.4	171.1	0	0	0	111.5	I76 F77 I78 V93 L97 F133 R164 L165 L167 M187	I76-I95 HydrophobicContact CG2-CD1 4.39Å; F77-I95 CarbonylContact O-C 3.47Å; F77-I95 WeakPolarHBondContact O-CA 3.41Å; I78-I95 HydrophobicContact CG1-CG2 4.4Å; V93-I95 HydrophobicContact CB-CG2 4.2Å; V93-I95 HydrophobicContact CG2-CG2 4.11Å; I95-L97 HydrophobicContact CD1-CB 4.28Å; I95-F133 HydrophobicContact CD1-CE1 4.23Å; I95-F133 HydrophobicContact CD1-CZ 3.88Å; I95-R164 WeakPolarHBondContact O-CA 3.34Å; I95-L165 HydrophobicContact CG1-CB 4.16Å; I95-L165 PolarHBondContact N-O 2.91Å; I95-L165 PolarHBondContact O-N 2.75Å; I95-L167 HydrophobicContact CD1-CD1 3.73Å; I95-L167 HydrophobicContact CG1-CD1 4.31Å; I95-M187 HydrophobicContact CD1-CE 4.42Å; I95-M187 HydrophobicContact CD1-SD 4.35Å; I95-M187 HydrophobicContact CG2-CE 4.21Å
96	F	98.4	Very high	97.4	Very high	56 Å²	56	38.6 Å²	38.6	25%	0.246	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.4	153.4	-50.4	-41.6	0	0	0	107.8	I76 F77 N79 I163 R164	I76-F96 WeakPolarHBondContact CA-O 3.42Å; F77-F96 HydrophobicContact CB-CB 4.12Å; F77-F96 HydrophobicContact CB-CD2 4Å; F77-F96 HydrophobicContact CB-CG 4.46Å; F77-F96 AromaticContact CD1-CD2 3.47Å; F77-F96 HydrophobicContact CD1-CD2 3.47Å; F77-F96 VanDerWaalsContact CD1-CD2 3.47Å; F77-F96 AromaticContact CD1-CE2 3.75Å; F77-F96 HydrophobicContact CD1-CE2 3.75Å; F77-F96 HydrophobicContact CD1-CG 4.39Å; F77-F96 HydrophobicContact CE1-CD2 4.27Å; F77-F96 HydrophobicContact CE1-CE2 4.09Å; F77-F96 AromaticContact CG-CD2 3.99Å; F77-F96 HydrophobicContact CG-CD2 3.99Å; F77-F96 PolarHBondContact N-O 2.96Å; F77-F96 PolarHBondContact O-N 3.04Å; N79-F96 HydrophobicContact CB-CZ 4.44Å; F96-I163 WeakPolarHBondContact CA-O 3.28Å; F96-R164 HydrophobicContact CD1-CB 3.79Å; F96-R164 HydrophobicContact CD1-CG 3.78Å; F96-R164 HydrophobicContact CE1-CB 3.92Å; F96-R164 HydrophobicContact CE1-CG 3.6Å
97	L	98.4	Very high	97.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.1	171.8	171.5	65.2	0	0	0	108	I76 I95 Q99 L131 F133 S162 I163 L165 L189	I76-L97 HydrophobicContact CG2-CD1 3.98Å; I95-L97 HydrophobicContact CD1-CB 4.28Å; L97-Q99 HydrophobicContact CD1-CG 4.45Å; L97-Q99 HydrophobicContact CG-CG 4.3Å; L97-L131 HydrophobicContact CD1-CD1 4.43Å; L97-L131 HydrophobicContact CD2-CD1 4.3Å; L97-L131 HydrophobicContact CD2-CD2 3.82Å; L97-F133 HydrophobicContact CD2-CZ 4.24Å; L97-S162 CarbonylContact O-C 3.54Å; L97-S162 VanDerWaalsContact O-CA 3.28Å; L97-S162 WeakPolarHBondContact O-CA 3.21Å; L97-I163 HydrophobicContact CB-CG2 4.09Å; L97-I163 HydrophobicContact CD2-CG2 4.32Å; L97-I163 PolarHBondContact N-O 3.46Å; L97-I163 PolarHBondContact O-N 2.89Å; L97-L165 HydrophobicContact CB-CD1 4.36Å; L97-L165 HydrophobicContact CD2-CD1 4.2Å; L97-L189 HydrophobicContact CD1-CD2 3.71Å
98	R	98.4	Very high	97.3	Very high	67 Å²	67	36.4 Å²	36.4	25%	0.253	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.9	175.5	-48.8	-165.4	-173.6	112.2	-7.1	110	C74 N75 L160 Y161	C74-R98 WeakPolarHBondContact CA-O 3.27Å; N75-R98 PolarHBondContact N-O 3.11Å; N75-R98 WeakPolarHBondContact ND2-CB 3.25Å; N75-R98 PolarHBondContact O-N 2.63Å; N75-R98 WeakPolarHBondContact OD1-CB 3.44Å; N75-R98 VanDerWaalsContact OD1-CD 3.25Å; N75-R98 WeakPolarHBondContact OD1-CD 3.49Å; N75-R98 WeakPolarHBondContact OD1-CG 3.38Å; N75-R98 PolarHBondContact OD1-NH1 3.41Å; R98-L160 HydrophobicContact CB-CD1 4.3Å; R98-Y161 CarbonylContact C-O 3.58Å; R98-Y161 VanDerWaalsContact CA-O 3.32Å; R98-Y161 WeakPolarHBondContact CA-O 3.33Å
99	Q	98.4	Very high	97.1	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.9	178.4	-65.1	175.6	81.9	0	0	108.3	V72 L97 W101 L131 Y161	V72-Q99 HydrophobicContact CG1-CB 4.01Å; V72-Q99 HydrophobicContact CG1-CG 4.39Å; L97-Q99 HydrophobicContact CD1-CG 4.45Å; L97-Q99 HydrophobicContact CG-CG 4.3Å; Q99-W101 HydrophobicContact CB-CE3 4.28Å; Q99-W101 HydrophobicContact CB-CZ3 4.06Å; Q99-L131 HydrophobicContact CG-CD1 4.35Å; Q99-Y161 HydrophobicContact CB-CD1 4.48Å; Q99-Y161 PolarHBondContact N-O 3.39Å; Q99-Y161 PolarHBondContact O-N 2.91Å
100	K	98.3	Very high	96.7	Very high	77 Å²	77	39.1 Å²	39.1	34%	0.335	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.9	176.1	-66.2	173.7	-178.7	166.5	0	109.5	V72 T73 V159 L160	V72-K100 CarbonylContact C-O 3.56Å; V72-K100 WeakPolarHBondContact CA-O 3.44Å; T73-K100 PolarHBondContact N-O 2.78Å; T73-K100 PolarHBondContact O-N 3.45Å; K100-V159 VanDerWaalsContact CA-O 3.28Å; K100-V159 WeakPolarHBondContact CA-O 3.39Å; K100-L160 HydrophobicContact CD-CD1 4.45Å; K100-L160 HydrophobicContact CG-CD1 3.77Å
101	W	98.3	Very high	96.1	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	170.1	172.7	69.2	95	0	0	0	110.1	V70 V72 Q99 I126 W127 P129 N158 V159 Y161	V70-W101 HydrophobicContact CG1-CB 4.02Å; V72-W101 HydrophobicContact CG2-CB 4.13Å; Q99-W101 HydrophobicContact CB-CE3 4.28Å; Q99-W101 HydrophobicContact CB-CZ3 4.06Å; W101-I126 HydrophobicContact CZ2-CD1 4.49Å; W101-W127 AromaticContact CD1-CZ3 3.85Å; W101-W127 HydrophobicContact CD2-CZ3 4.37Å; W101-W127 HydrophobicContact CG-CZ3 4.21Å; W101-W127 WeakPolarHBondContact CZ2-O 3.44Å; W101-W127 AromaticContact NE1-CE3 3.77Å; W101-W127 AromaticContact NE1-CZ3 3.81Å; W101-P129 HydrophobicContact CD2-CG 4.34Å; W101-P129 HydrophobicContact CE3-CG 4.02Å; W101-P129 HydrophobicContact CZ3-CG 4.24Å; W101-N158 CarbonylContact O-C 3.58Å; W101-N158 WeakPolarHBondContact O-CA 3.39Å; W101-V159 HydrophobicContact CD2-CB 4.12Å; W101-V159 HydrophobicContact CH2-CB 4.28Å; W101-V159 HydrophobicContact CH2-CG1 3.7Å; W101-V159 HydrophobicContact CZ2-CB 3.83Å; W101-V159 HydrophobicContact CZ2-CG1 3.53Å; W101-V159 HydrophobicContact CZ2-CG2 4.33Å; W101-V159 HydrophobicContact CZ3-CG1 4.29Å; W101-V159 PolarHBondContact N-O 3.09Å; W101-V159 PolarHBondContact O-N 3.06Å; W101-Y161 HydrophobicContact CH2-CD1 4.44Å; W101-Y161 HydrophobicContact CH2-CG 4.35Å; W101-Y161 HydrophobicContact CZ3-CD1 4.36Å; W101-Y161 HydrophobicContact CZ3-CG 4.41Å
102	N	98.3	Very high	95.6	Very high	56 Å²	56	44.4 Å²	44.4	30%	0.299	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.8	173.8	-175.2	-96.3	0	0	0	110.4	P104 N156 N158	N102-P104 WeakPolarHBondContact OD1-CD 3.48Å; N102-P104 WeakPolarHBondContact OD1-CG 3.43Å; N102-N156 PolarHBondContact ND2-O 3.2Å; N102-N156 VanDerWaalsContact ND2-O 3.09Å; N102-N158 WeakPolarHBondContact CB-OD1 3.34Å; N102-N158 PolarHBondContact ND2-OD1 2.72Å
103	D	97.8	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.			trans	-119.2	100.3	167.8	-169.7	-14.9	0	0	0	109.2	Y57 P63 R105 L106 G157 V159	Y57-D103 WeakPolarHBondContact CE2-OD2 3.49Å; Y57-D103 PolarHBondContact OH-OD2 2.56Å; P63-D103 HydrophobicContact CB-CB 4.34Å; P63-D103 HydrophobicContact CG-CB 3.88Å; D103-R105 PolarHBondContact O-N 3.04Å; D103-R105 WeakPolarHBondContact OD1-CB 3.35Å; D103-R105 IonicContact OD1-CZ 3.21Å; D103-R105 PolarHBondContact OD1-N 3.16Å; D103-R105 VanDerWaalsContact OD1-N 3.13Å; D103-R105 IonicContact OD1-NE 3.69Å; D103-R105 PolarHBondContact OD1-NE 3.31Å; D103-R105 IonicContact OD1-NH2 3.3Å; D103-R105 IonicContact OD2-CZ 3.45Å; D103-R105 IonicContact OD2-NE 2.85Å; D103-R105 PolarHBondContact OD2-NE 2.79Å; D103-R105 IonicContact OD2-NH2 3.61Å; D103-R105 PolarHBondContact OD2-NH2 2.9Å; D103-L106 HydrophobicContact CB-CB 4.41Å; D103-L106 HydrophobicContact CB-CD1 3.95Å; D103-L106 HydrophobicContact CB-CG 4.12Å; D103-L106 PolarHBondContact O-N 3.18Å; D103-G157 PolarHBondContact N-O 3.21Å; D103-G157 WeakPolarHBondContact O-CA 3.26Å; D103-V159 HydrophobicContact CB-CG2 4.47Å
104	P	96.3	Very high	95	Very high	59 Å²	59	48 Å²	48	38%	0.383	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58	-22.7	-178.7	-26.8	35	0	0	0	114.2	N102 L106 A107	N102-P104 WeakPolarHBondContact OD1-CD 3.48Å; N102-P104 WeakPolarHBondContact OD1-CG 3.43Å; P104-L106 VanDerWaalsContact C-N 3.26Å; P104-L106 PolarHBondContact O-N 2.89Å; P104-A107 WeakPolarHBondContact O-CB 3.2Å; P104-A107 PolarHBondContact O-N 3.02Å
105	R	95.6	Very high	94.8	Very high	83 Å²	83	49.4 Å²	49.4	31%	0.313	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-73	-20.4	179.5	-56	169.1	-66.9	-179.2	3.3	112.5	Y57 D58 I61 D103	Y57-R105 HydrophobicContact CD2-CB 3.84Å; Y57-R105 HydrophobicContact CE2-CB 3.87Å; Y57-R105 PolarHBondContact OH-NH2 3.49Å; D58-R105 PolarHBondContact O-NH1 2.96Å; I61-R105 PolarHBondContact O-NH1 2.85Å; I61-R105 PolarHBondContact O-NH2 2.96Å; I61-R105 VanDerWaalsContact O-NH2 3.09Å; D103-R105 PolarHBondContact O-N 3.04Å; D103-R105 WeakPolarHBondContact OD1-CB 3.35Å; D103-R105 IonicContact OD1-CZ 3.21Å; D103-R105 PolarHBondContact OD1-N 3.16Å; D103-R105 VanDerWaalsContact OD1-N 3.13Å; D103-R105 IonicContact OD1-NE 3.69Å; D103-R105 PolarHBondContact OD1-NE 3.31Å; D103-R105 IonicContact OD1-NH2 3.3Å; D103-R105 IonicContact OD2-CZ 3.45Å; D103-R105 IonicContact OD2-NE 2.85Å; D103-R105 PolarHBondContact OD2-NE 2.79Å; D103-R105 IonicContact OD2-NH2 3.61Å; D103-R105 PolarHBondContact OD2-NH2 2.9Å
106	L	95.3	Very high	94.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-96.1	3.9	179	-60.8	177.5	0	0	0	112.6	L50 M51 Y57 D103 P104 I126 I153 V159	L50-L106 HydrophobicContact CD2-CD2 4.25Å; L50-L106 HydrophobicContact CG-CD2 4.07Å; M51-L106 HydrophobicContact CG-CD2 3.74Å; M51-L106 HydrophobicContact SD-CD2 4.19Å; Y57-L106 HydrophobicContact CD2-CD2 3.98Å; Y57-L106 HydrophobicContact CE2-CD1 4.43Å; Y57-L106 HydrophobicContact CE2-CD2 3.57Å; Y57-L106 HydrophobicContact CE2-CG 3.84Å; D103-L106 HydrophobicContact CB-CB 4.41Å; D103-L106 HydrophobicContact CB-CD1 3.95Å; D103-L106 HydrophobicContact CB-CG 4.12Å; D103-L106 PolarHBondContact O-N 3.18Å; P104-L106 VanDerWaalsContact C-N 3.26Å; P104-L106 PolarHBondContact O-N 2.89Å; L106-I126 HydrophobicContact CD1-CG2 4.13Å; L106-I126 HydrophobicContact CD2-CG2 4.34Å; L106-I153 HydrophobicContact CB-CD1 4.45Å; L106-I153 HydrophobicContact CB-CG2 4.12Å; L106-I153 HydrophobicContact CD1-CD1 4.11Å; L106-V159 HydrophobicContact CD1-CG2 3.88Å
107	A	95.3	Very high	94.3	Very high	44 Å²	44	52.9 Å²	52.9	36%	0.364	29%	0.288	S	S	.	.			trans	-67.1	142.3	174.7	0	0	0	0	0	111	P104 K155	P104-A107 WeakPolarHBondContact O-CB 3.2Å; P104-A107 PolarHBondContact O-N 3.02Å; A107-K155 WeakPolarHBondContact CA-O 3.33Å; A107-K155 WeakPolarHBondContact CB-O 3.36Å
108	Y	93.3	Very high	94	Very high	13 Å²	13	53.8 Å²	53.8	5%	0.051	29%	0.293	C	S	.	.			trans	-140.4	157	-177.6	63.5	-91.4	0	0	0	112.2	F46 D113 D114 S115 L116 I153 K155	F46-Y108 HydrophobicContact CE2-CG 4.28Å; F46-Y108 VanDerWaalsContact CZ-CB 3.49Å; F46-Y108 HydrophobicContact CZ-CD1 4.13Å; F46-Y108 HydrophobicContact CZ-CD2 4.11Å; F46-Y108 AromaticContact CZ-CG 3.66Å; F46-Y108 HydrophobicContact CZ-CG 3.66Å; Y108-D113 PolarHBondContact OH-O 2.85Å; Y108-D114 PolarHBondContact OH-O 3.37Å; Y108-S115 WeakPolarHBondContact OH-CA 3.28Å; Y108-S115 PolarHBondContact OH-N 3.25Å; Y108-L116 HydrophobicContact CD1-CD1 4.29Å; Y108-L116 HydrophobicContact CD2-CD1 4.33Å; Y108-L116 HydrophobicContact CE1-CD1 3.84Å; Y108-L116 HydrophobicContact CE1-CG 4.21Å; Y108-L116 HydrophobicContact CE2-CD1 3.89Å; Y108-L116 HydrophobicContact CE2-CG 4.16Å; Y108-L116 PolarHBondContact OH-N 3Å; Y108-I153 HydrophobicContact CD1-CG2 4.47Å; Y108-I153 HydrophobicContact CE1-CG2 4.15Å; Y108-I153 PolarHBondContact OH-O 3.41Å; Y108-K155 HydrophobicContact CD2-CG 3.99Å; Y108-K155 HydrophobicContact CE1-CG 4.47Å; Y108-K155 HydrophobicContact CE2-CB 4.36Å; Y108-K155 HydrophobicContact CE2-CG 3.4Å; Y108-K155 PolarHBondContact N-O 3.04Å; Y108-K155 VanDerWaalsContact N-O 3.11Å; Y108-K155 PolarHBondContact OH-N 3.24Å
109	S	92.2	Very high	93.6	Very high	105 Å²	105	55.3 Å²	55.3	73%	0.734	31%	0.306	S	S	*	.			trans	-134.4	-9.6	-177.8	61.2	0	0	0	0	113.8
110	E	88.3	Confident	93.2	Very high	81 Å²	81	56.6 Å²	56.6	38%	0.379	31%	0.314	S	S	.	.	S	Bend	trans	-75.4	-28.2	-173.3	-67	85.8	160.7	0	0	112.9	F46 K49	F46-E110 HydrophobicContact CD2-CB 4.37Å; F46-E110 HydrophobicContact CE2-CB 4.34Å; K49-E110 IonicContact NZ-OE1 2.89Å; K49-E110 PolarHBondContact NZ-OE1 3.47Å
111	Y	85.4	Confident	92.8	Very high	32 Å²	32	56.7 Å²	56.7	13%	0.125	33%	0.325	C	S	.	.	S	Bend	trans	-101.8	138.8	178	-80.8	-91	0	0	0	111.4	M41 P43 F46 D113 K155	M41-Y111 PolarHBondContact O-OH 2.96Å; P43-Y111 WeakPolarHBondContact CA-OH 3.44Å; F46-Y111 HydrophobicContact CB-CE2 3.71Å; F46-Y111 HydrophobicContact CD1-CD2 4.11Å; F46-Y111 AromaticContact CD1-CE2 3.77Å; F46-Y111 HydrophobicContact CD1-CE2 3.77Å; F46-Y111 AromaticContact CD2-CD2 3.9Å; F46-Y111 HydrophobicContact CD2-CD2 3.9Å; F46-Y111 AromaticContact CD2-CE2 3.76Å; F46-Y111 HydrophobicContact CD2-CE2 3.76Å; F46-Y111 HydrophobicContact CE1-CD2 4.23Å; F46-Y111 HydrophobicContact CE1-CE2 4.36Å; F46-Y111 HydrophobicContact CE2-CD2 4.02Å; F46-Y111 HydrophobicContact CE2-CE2 4.34Å; F46-Y111 AromaticContact CG-CD2 3.95Å; F46-Y111 HydrophobicContact CG-CD2 3.95Å; F46-Y111 AromaticContact CG-CE2 3.44Å; F46-Y111 HydrophobicContact CG-CE2 3.44Å; F46-Y111 VanDerWaalsContact CG-CE2 3.44Å; F46-Y111 HydrophobicContact CZ-CD2 4.19Å; Y111-D113 VanDerWaalsContact C-N 3.26Å; Y111-D113 PolarHBondContact O-N 2.7Å; Y111-K155 WeakPolarHBondContact O-CE 3.38Å
112	P	87.1	Confident	92.3	Very high	104 Å²	104	58.3 Å²	58.3	68%	0.675	33%	0.333	S	S	*	.	S	Bend	trans	-76.1	-14	177.5	33.4	-35.9	0	0	0	112.8	K155	P112-K155 VanDerWaalsContact C-NZ 3.32Å; P112-K155 WeakPolarHBondContact O-CE 3.21Å; P112-K155 PolarHBondContact O-NZ 2.79Å
113	D	91.3	Very high	91.9	Very high	89 Å²	89	55.9 Å²	55.9	48%	0.476	32%	0.32	S	S	.	.			trans	-74.1	134.4	-179.7	-56.4	-59.3	0	0	0	111.3	Y108 Y111 S115 L116 K155	Y108-D113 PolarHBondContact OH-O 2.85Å; Y111-D113 VanDerWaalsContact C-N 3.26Å; Y111-D113 PolarHBondContact O-N 2.7Å; D113-S115 PolarHBondContact O-N 3.09Å; D113-L116 HydrophobicContact CB-CD2 4.42Å; D113-K155 WeakPolarHBondContact O-CE 3.45Å; D113-K155 WeakPolarHBondContact O-CG 3.41Å
114	D	92.3	Very high	91.6	Very high	114 Å²	114	61.9 Å²	61.9	61%	0.61	35%	0.352	S	S	*	.	S	Bend	trans	-70.8	-21.8	-178.1	-76.7	-10.6	0	0	0	113.7	Y108 F154 K155	Y108-D114 PolarHBondContact OH-O 3.37Å; D114-F154 VanDerWaalsContact O-CA 3.3Å; D114-F154 WeakPolarHBondContact O-CA 3.2Å; D114-K155 PolarHBondContact O-N 2.92Å; D114-K155 IonicContact OD1-NZ 2.78Å; D114-K155 PolarHBondContact OD1-NZ 2.8Å
115	S	94.3	Very high	91.4	Very high	40 Å²	40	61.4 Å²	61.4	28%	0.28	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.7	176.6	66.1	0	0	0	0	111.7	Y108 D113 I153	Y108-S115 WeakPolarHBondContact OH-CA 3.28Å; Y108-S115 PolarHBondContact OH-N 3.25Å; D113-S115 PolarHBondContact O-N 3.09Å; S115-I153 CarbonylContact C-O 3.55Å; S115-I153 VanDerWaalsContact CA-O 3.3Å; S115-I153 WeakPolarHBondContact CA-O 3.42Å
116	L	92.7	Very high	91.4	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.147	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.6	173.8	-62.7	171.6	0	0	0	109	F46 Y108 D113 L118 R152 I153	F46-L116 HydrophobicContact CD1-CD1 4.29Å; F46-L116 HydrophobicContact CE1-CD1 3.39Å; F46-L116 HydrophobicContact CZ-CD1 3.92Å; Y108-L116 HydrophobicContact CD1-CD1 4.29Å; Y108-L116 HydrophobicContact CD2-CD1 4.33Å; Y108-L116 HydrophobicContact CE1-CD1 3.84Å; Y108-L116 HydrophobicContact CE1-CG 4.21Å; Y108-L116 HydrophobicContact CE2-CD1 3.89Å; Y108-L116 HydrophobicContact CE2-CG 4.16Å; Y108-L116 PolarHBondContact OH-N 3Å; D113-L116 HydrophobicContact CB-CD2 4.42Å; L116-L118 HydrophobicContact CB-CD2 4.26Å; L116-R152 WeakPolarHBondContact O-CA 3.45Å; L116-I153 PolarHBondContact N-O 2.97Å; L116-I153 PolarHBondContact O-N 2.9Å
117	D	93.5	Very high	91.5	Very high	101 Å²	101	57.9 Å²	57.9	54%	0.54	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.8	168.8	-77.7	-41.8	0	0	0	109.1	R152	D117-R152 VanDerWaalsContact CG-NH2 3.3Å; D117-R152 IonicContact OD1-CZ 2.65Å; D117-R152 IonicContact OD1-NE 2.88Å; D117-R152 PolarHBondContact OD1-NE 3.15Å; D117-R152 IonicContact OD1-NH2 3.66Å; D117-R152 PolarHBondContact OD1-NH2 3.27Å; D117-R152 IonicContact OD2-CZ 3.2Å; D117-R152 IonicContact OD2-NE 2.66Å; D117-R152 IonicContact OD2-NH2 2.9Å; D117-R152 PolarHBondContact OD2-NH2 3.35Å
118	L	91.4	Very high	91.5	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.126	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.8	-175.6	-59.6	-173.9	0	0	0	111.4	L47 M51 L116 L151 I153	L47-L118 HydrophobicContact CD1-CD2 4.37Å; L47-L118 HydrophobicContact CD2-CD1 4.21Å; L47-L118 HydrophobicContact CD2-CD2 3.56Å; M51-L118 HydrophobicContact CE-CD1 4.02Å; L116-L118 HydrophobicContact CB-CD2 4.26Å; L118-L151 HydrophobicContact CB-CB 4.38Å; L118-L151 HydrophobicContact CB-CD2 4.02Å; L118-L151 HydrophobicContact CB-CG 4.18Å; L118-L151 HydrophobicContact CD1-CD2 3.98Å; L118-L151 HydrophobicContact CD1-CG 4.38Å; L118-L151 PolarHBondContact N-O 2.96Å; L118-I153 HydrophobicContact CD1-CD1 3.43Å; L118-I153 VanDerWaalsContact CD1-CD1 3.43Å; L118-I153 HydrophobicContact CD1-CG1 3.89Å
119	D	90.2	Very high	91.7	Very high	99 Å²	99	59.2 Å²	59.2	53%	0.529	34%	0.336	S	S	.	.			trans	-63.5	138.9	173.8	-173	-91.8	0	0	0	110.9	S121 M122	D119-S121 PolarHBondContact O-N 2.8Å; D119-S121 VanDerWaalsContact O-N 3.09Å; D119-S121 WeakPolarHBondContact OD1-CB 3.25Å; D119-S121 PolarHBondContact OD1-N 2.78Å; D119-S121 PolarHBondContact OD1-OG 2.88Å; D119-M122 WeakPolarHBondContact O-CB 3.18Å; D119-M122 PolarHBondContact O-N 2.89Å
120	P	90.6	Very high	91.9	Very high	32 Å²	32	56.3 Å²	56.3	21%	0.208	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-54	-27.4	178.4	-31.6	39.1	0	0	0	115.5	M122 L123 D147 K149	P120-M122 PolarHBondContact O-N 2.86Å; P120-L123 HydrophobicContact CB-CD1 4.42Å; P120-L123 VanDerWaalsContact O-CB 3.26Å; P120-L123 WeakPolarHBondContact O-CB 3.39Å; P120-L123 WeakPolarHBondContact O-CG 3.33Å; P120-L123 PolarHBondContact O-N 3.5Å; P120-L123 VanDerWaalsContact O-N 3.08Å; P120-D147 HydrophobicContact CB-CB 4.4Å; P120-K149 HydrophobicContact CB-CB 4.12Å; P120-K149 HydrophobicContact CG-CB 4.39Å; P120-K149 WeakPolarHBondContact CG-O 3.46Å
121	S	88.7	Confident	92.4	Very high	79 Å²	79	53.8 Å²	53.8	55%	0.552	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.5	-24.2	177.7	60	0	0	0	0	113.2	D119 L123	D119-S121 PolarHBondContact O-N 2.8Å; D119-S121 VanDerWaalsContact O-N 3.09Å; D119-S121 WeakPolarHBondContact OD1-CB 3.25Å; D119-S121 PolarHBondContact OD1-N 2.78Å; D119-S121 PolarHBondContact OD1-OG 2.88Å; S121-L123 PolarHBondContact O-N 2.8Å
122	M	88.9	Confident	93	Very high	41 Å²	41	55.4 Å²	55.4	20%	0.202	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-75.7	-9.3	178.2	-59.5	-60	-66.6	0	0	113.4	L47 M51 D119 P120 D124 S125	L47-M122 HydrophobicContact CB-CE 4.34Å; M51-M122 HydrophobicContact CE-CE 3.49Å; M51-M122 VanDerWaalsContact CE-CE 3.49Å; D119-M122 WeakPolarHBondContact O-CB 3.18Å; D119-M122 PolarHBondContact O-N 2.89Å; P120-M122 PolarHBondContact O-N 2.86Å; M122-D124 PolarHBondContact O-N 2.96Å; M122-S125 PolarHBondContact O-N 2.85Å
123	L	90.6	Very high	93.6	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-64.8	-19.8	-179.1	-79.5	166.1	0	0	0	114.3	P120 S121 I126 K128 K149 L151 Y161	P120-L123 HydrophobicContact CB-CD1 4.42Å; P120-L123 VanDerWaalsContact O-CB 3.26Å; P120-L123 WeakPolarHBondContact O-CB 3.39Å; P120-L123 WeakPolarHBondContact O-CG 3.33Å; P120-L123 PolarHBondContact O-N 3.5Å; P120-L123 VanDerWaalsContact O-N 3.08Å; S121-L123 PolarHBondContact O-N 2.8Å; L123-I126 HydrophobicContact CD2-CD1 4.23Å; L123-K128 PolarHBondContact O-NZ 3.09Å; L123-K149 HydrophobicContact CD1-CB 3.67Å; L123-K149 HydrophobicContact CD1-CD 3.6Å; L123-K149 HydrophobicContact CD1-CG 4.14Å; L123-L151 HydrophobicContact CD2-CB 4.02Å; L123-L151 HydrophobicContact CD2-CD1 3.96Å; L123-L151 HydrophobicContact CD2-CD2 3.92Å; L123-L151 HydrophobicContact CD2-CG 4.18Å; L123-L151 HydrophobicContact CG-CB 4.28Å; L123-L151 HydrophobicContact CG-CD2 4.16Å; L123-Y161 HydrophobicContact CD1-CD2 4.31Å; L123-Y161 HydrophobicContact CD1-CE2 3.76Å; L123-Y161 HydrophobicContact CD2-CD2 3.7Å; L123-Y161 HydrophobicContact CD2-CE2 3.79Å; L123-Y161 HydrophobicContact CG-CE2 4.48Å
124	D	90.2	Very high	93.8	Very high	126 Å²	126	48.8 Å²	48.8	67%	0.674	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-84.6	-14.4	175.9	-68.7	-28.4	0	0	0	112.7	M122 K128	M122-D124 PolarHBondContact O-N 2.96Å; D124-K128 IonicContact OD1-NZ 2.64Å; D124-K128 PolarHBondContact OD1-NZ 3.16Å
125	S	92.4	Very high	94.1	Very high	50 Å²	50	44.4 Å²	44.4	35%	0.35	25%	0.249	S	C	.	.	S	Bend	trans	-89.3	-8	176.3	-55.1	0	0	0	0	113.6	Y57 M122	Y57-S125 WeakPolarHBondContact CE1-O 3.3Å; M122-S125 PolarHBondContact O-N 2.85Å
126	I	94.9	Very high	94.2	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	25%	0.253	C	S	.	.	S	Bend	trans	-113.8	153.7	178.1	65.2	167.5	0	0	0	112.6	M51 Y57 W101 L106 L123 L151	M51-I126 HydrophobicContact CG-CG2 4.1Å; M51-I126 HydrophobicContact SD-CG2 3.21Å; M51-I126 WeakPolarHBondContact SD-CG2 3.24Å; Y57-I126 HydrophobicContact CE1-CB 4.49Å; W101-I126 HydrophobicContact CZ2-CD1 4.49Å; L106-I126 HydrophobicContact CD1-CG2 4.13Å; L106-I126 HydrophobicContact CD2-CG2 4.34Å; L123-I126 HydrophobicContact CD2-CD1 4.23Å; I126-L151 HydrophobicContact CD1-CD1 3.56Å; I126-L151 HydrophobicContact CD1-CD2 3.8Å; I126-L151 HydrophobicContact CD1-CG 4.35Å
127	W	97.1	Very high	94.4	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.019	27%	0.267	C	S	.	.			trans	-66.9	137.9	166.4	179.9	89.9	0	0	0	109.9	Y57 A59 R62 P63 V70 W101 P129 Y194 L199	Y57-W127 PolarHBondContact OH-N 3.22Å; A59-W127 WeakPolarHBondContact O-CA 3.16Å; A59-W127 WeakPolarHBondContact O-CB 3.35Å; R62-W127 HydrophobicContact CB-CD2 4.49Å; R62-W127 HydrophobicContact CB-CZ2 3.98Å; P63-W127 VanDerWaalsContact CD-CD2 3.46Å; P63-W127 HydrophobicContact CG-CD2 4.35Å; P63-W127 HydrophobicContact CG-CE3 3.83Å; P63-W127 HydrophobicContact CG-CZ3 4.13Å; V70-W127 HydrophobicContact CB-CH2 4.44Å; V70-W127 HydrophobicContact CG1-CH2 4.19Å; V70-W127 HydrophobicContact CG1-CZ3 4.27Å; W101-W127 AromaticContact CD1-CZ3 3.85Å; W101-W127 HydrophobicContact CD2-CZ3 4.37Å; W101-W127 HydrophobicContact CG-CZ3 4.21Å; W101-W127 WeakPolarHBondContact CZ2-O 3.44Å; W101-W127 AromaticContact NE1-CE3 3.77Å; W101-W127 AromaticContact NE1-CZ3 3.81Å; W127-P129 HydrophobicContact CH2-CB 4.22Å; W127-P129 HydrophobicContact CH2-CG 3.81Å; W127-P129 HydrophobicContact CZ3-CG 3.81Å; W127-Y194 HydrophobicContact CZ2-CE2 4.42Å; W127-Y194 AromaticContact NE1-CZ 3.73Å; W127-Y194 PolarHBondContact NE1-OH 3.15Å; W127-L199 HydrophobicContact CH2-CD1 3.86Å; W127-L199 HydrophobicContact CZ2-CD1 4.35Å
128	K	96.6	Very high	94.5	Very high	75 Å²	75	46 Å²	46	33%	0.326	25%	0.253	S	S	.	.			trans	-135.5	143.6	175.6	51.7	-177.9	170.6	-76.9	0	110	L123 D124	L123-K128 PolarHBondContact O-NZ 3.09Å; D124-K128 IonicContact OD1-NZ 2.64Å; D124-K128 PolarHBondContact OD1-NZ 3.16Å
129	P	97.7	Very high	94.8	Very high	10 Å²	10	47 Å²	47	7%	0.065	27%	0.265	C	S	.	.			trans	-59.9	144.9	174.2	-19.3	30.4	0	0	0	111.6	V72 W101 W127 L131 L199 F201	V72-P129 HydrophobicContact CG1-CG 4.07Å; V72-P129 HydrophobicContact CG2-CB 4.24Å; V72-P129 HydrophobicContact CG2-CG 3.71Å; W101-P129 HydrophobicContact CD2-CG 4.34Å; W101-P129 HydrophobicContact CE3-CG 4.02Å; W101-P129 HydrophobicContact CZ3-CG 4.24Å; W127-P129 HydrophobicContact CH2-CB 4.22Å; W127-P129 HydrophobicContact CH2-CG 3.81Å; W127-P129 HydrophobicContact CZ3-CG 3.81Å; P129-L131 VanDerWaalsContact C-N 3.25Å; P129-L131 PolarHBondContact O-N 3.21Å; P129-L199 HydrophobicContact CB-CD2 4.38Å; P129-F201 HydrophobicContact CB-CE1 4.27Å
130	D	96.9	Very high	95	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.241	27%	0.267	C	S	.	.			trans	-91.2	47.9	-178.2	64.3	-24.9	0	0	0	112.1	F132 S191 F192 G193 Y194	D130-F132 PolarHBondContact O-N 3.47Å; D130-S191 PolarHBondContact OD1-OG 2.97Å; D130-F192 PolarHBondContact OD2-N 2.86Å; D130-G193 WeakPolarHBondContact OD2-CA 3.36Å; D130-G193 PolarHBondContact OD2-N 2.04Å; D130-Y194 VanDerWaalsContact OD1-CD2 3.29Å; D130-Y194 WeakPolarHBondContact OD1-CD2 3.36Å; D130-Y194 WeakPolarHBondContact OD2-CD2 3.44Å
131	L	98.3	Very high	95.2	Very high	28 Å²	28	52.1 Å²	52.1	15%	0.147	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	126.5	179.8	-170.5	154.9	0	0	0	110.8	L97 Q99 P129 F133 L189 E190 F201	L97-L131 HydrophobicContact CD1-CD1 4.43Å; L97-L131 HydrophobicContact CD2-CD1 4.3Å; L97-L131 HydrophobicContact CD2-CD2 3.82Å; Q99-L131 HydrophobicContact CG-CD1 4.35Å; P129-L131 VanDerWaalsContact C-N 3.25Å; P129-L131 PolarHBondContact O-N 3.21Å; L131-F133 HydrophobicContact CD2-CE2 4.12Å; L131-F133 HydrophobicContact CD2-CZ 4.16Å; L131-L189 HydrophobicContact CD1-CB 4.15Å; L131-L189 HydrophobicContact CD1-CD2 3.87Å; L131-L189 HydrophobicContact CD1-CG 4.45Å; L131-L189 HydrophobicContact CD2-CB 4.18Å; L131-L189 HydrophobicContact CD2-CD2 4.19Å; L131-L189 HydrophobicContact CD2-CG 4.18Å; L131-L189 HydrophobicContact CG-CB 4.23Å; L131-E190 WeakPolarHBondContact CA-O 3.29Å; L131-F201 HydrophobicContact CB-CE2 4.14Å; L131-F201 HydrophobicContact CB-CZ 3.88Å; L131-F201 HydrophobicContact CD1-CD2 4.49Å; L131-F201 HydrophobicContact CD1-CE2 3.95Å; L131-F201 HydrophobicContact CD1-CZ 4.08Å; L131-F201 HydrophobicContact CG-CE2 3.87Å; L131-F201 HydrophobicContact CG-CZ 4.08Å
132	F	97.9	Very high	95.5	Very high	65 Å²	65	50.7 Å²	50.7	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	165.2	168.9	81.3	-74.9	0	0	0	111	D130 A134 E190 F192	D130-F132 PolarHBondContact O-N 3.47Å; F132-A134 HydrophobicContact CE2-CB 4.34Å; F132-E190 HydrophobicContact CD1-CB 4.25Å; F132-E190 WeakPolarHBondContact CD1-O 3.46Å; F132-E190 HydrophobicContact CE1-CB 3.65Å; F132-E190 HydrophobicContact CE1-CG 3.7Å; F132-E190 HydrophobicContact CZ-CB 3.92Å; F132-E190 HydrophobicContact CZ-CG 3.94Å; F132-E190 PolarHBondContact N-O 2.8Å; F132-E190 PolarHBondContact O-N 2.89Å; F132-F192 HydrophobicContact CD1-CB 3.66Å; F132-F192 HydrophobicContact CD1-CD2 4.06Å; F132-F192 HydrophobicContact CD1-CG 4.38Å; F132-F192 HydrophobicContact CE1-CB 3.84Å; F132-F192 AromaticContact CE1-CD2 3.89Å; F132-F192 HydrophobicContact CE1-CD2 3.89Å; F132-F192 HydrophobicContact CE1-CG 4.36Å; F132-F192 HydrophobicContact CE2-CD2 4.47Å; F132-F192 HydrophobicContact CG-CD2 4.44Å; F132-F192 HydrophobicContact CZ-CD2 4.11Å
133	F	98.3	Very high	95.7	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.07	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.8	179	-66.4	-87.6	0	0	0	110.1	I95 L97 L131 N135 E136 L165 L167 L169 M187 Q188 L189	I95-F133 HydrophobicContact CD1-CE1 4.23Å; I95-F133 HydrophobicContact CD1-CZ 3.88Å; L97-F133 HydrophobicContact CD2-CZ 4.24Å; L131-F133 HydrophobicContact CD2-CE2 4.12Å; L131-F133 HydrophobicContact CD2-CZ 4.16Å; F133-N135 VanDerWaalsContact C-N 3.33Å; F133-N135 PolarHBondContact O-N 2.91Å; F133-E136 HydrophobicContact CB-CB 3.63Å; F133-E136 HydrophobicContact CB-CG 4.43Å; F133-E136 WeakPolarHBondContact O-CB 3.32Å; F133-E136 PolarHBondContact O-N 2.84Å; F133-L165 HydrophobicContact CE2-CD1 3.7Å; F133-L165 HydrophobicContact CZ-CD1 4.15Å; F133-L167 HydrophobicContact CD1-CD1 3.76Å; F133-L167 HydrophobicContact CD2-CD1 3.86Å; F133-L167 HydrophobicContact CD2-CD2 3.83Å; F133-L167 HydrophobicContact CE1-CD1 3.5Å; F133-L167 VanDerWaalsContact CE1-CD1 3.5Å; F133-L167 HydrophobicContact CE2-CD1 3.64Å; F133-L167 HydrophobicContact CE2-CD2 3.92Å; F133-L167 HydrophobicContact CE2-CG 4.42Å; F133-L167 HydrophobicContact CG-CD1 3.93Å; F133-L167 HydrophobicContact CG-CD2 4.44Å; F133-L167 HydrophobicContact CZ-CD1 3.46Å; F133-L167 VanDerWaalsContact CZ-CD1 3.46Å; F133-L169 HydrophobicContact CB-CD2 4.26Å; F133-M187 HydrophobicContact CD1-CG 3.89Å; F133-M187 HydrophobicContact CD1-SD 4.39Å; F133-M187 HydrophobicContact CE1-CG 3.97Å; F133-M187 HydrophobicContact CE1-SD 3.87Å; F133-Q188 VanDerWaalsContact CA-O 3.27Å; F133-Q188 WeakPolarHBondContact CA-O 3.5Å; F133-L189 HydrophobicContact CD1-CD1 4.37Å; F133-L189 HydrophobicContact CD1-CG 4.14Å; F133-L189 HydrophobicContact CE1-CD1 4.03Å; F133-L189 HydrophobicContact CE1-CD2 4.28Å; F133-L189 HydrophobicContact CE1-CG 3.72Å; F133-L189 HydrophobicContact CZ-CG 4.44Å
134	A	97.3	Very high	95.6	Very high	38 Å²	38	60.8 Å²	60.8	31%	0.314	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-32	-170.9	0	0	0	0	0	113.6	F132 Q188 E190	F132-A134 HydrophobicContact CE2-CB 4.34Å; A134-Q188 HydrophobicContact CB-CB 3.91Å; A134-Q188 PolarHBondContact N-O 2.76Å; A134-Q188 VanDerWaalsContact N-O 3.1Å; A134-E190 HydrophobicContact CB-CB 4.38Å; A134-E190 WeakPolarHBondContact CB-OE2 3.45Å
135	N	97.1	Very high	95.6	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.118	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	23.9	-179.1	68.1	-51	0	0	0	113.6	F133 S170 I186 Q188	F133-N135 VanDerWaalsContact C-N 3.33Å; F133-N135 PolarHBondContact O-N 2.91Å; N135-S170 PolarHBondContact ND2-O 2.8Å; N135-S170 WeakPolarHBondContact O-CB 3.25Å; N135-S170 PolarHBondContact O-N 2.95Å; N135-I186 PolarHBondContact ND2-O 3.22Å; N135-Q188 PolarHBondContact OD1-N 3.23Å; N135-Q188 VanDerWaalsContact OD1-N 3.13Å
136	E	97.6	Very high	95.6	Very high	76 Å²	76	63.7 Å²	63.7	36%	0.355	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.2	179.5	177.1	-92.5	142.8	0	0	112.8	F133 G138 A139 L169	F133-E136 HydrophobicContact CB-CB 3.63Å; F133-E136 HydrophobicContact CB-CG 4.43Å; F133-E136 WeakPolarHBondContact O-CB 3.32Å; F133-E136 PolarHBondContact O-N 2.84Å; E136-G138 WeakPolarHBondContact OE1-CA 3.37Å; E136-G138 PolarHBondContact OE1-N 3.37Å; E136-A139 HydrophobicContact CG-CB 3.87Å; E136-A139 PolarHBondContact OE1-N 2.88Å; E136-L169 HydrophobicContact CB-CD2 3.98Å
137	K	96.9	Very high	95.4	Very high	102 Å²	102	66.5 Å²	66.5	44%	0.443	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-32.5	174.8	-72.3	175.2	169.2	169.7	0	112.5	T88 M89 D90 T168	T88-K137 PolarHBondContact O-NZ 2.91Å; M89-K137 PolarHBondContact O-NZ 2.96Å; D90-K137 HydrophobicContact CB-CD 4.04Å; D90-K137 WeakPolarHBondContact OD2-CD 3.32Å; D90-K137 IonicContact OD2-NZ 3.86Å; D90-K137 PolarHBondContact OD2-NZ 3.17Å; K137-T168 HydrophobicContact CB-CG2 4.41Å; K137-T168 PolarHBondContact N-O 3.01Å
138	G	95.8	Very high	95.2	Very high	25 Å²	25	68.7 Å²	68.7	26%	0.258	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	133.3	172.7	0	0	0	0	0	110.9	E136 T168	E136-G138 WeakPolarHBondContact OE1-CA 3.37Å; E136-G138 PolarHBondContact OE1-N 3.37Å; G138-T168 PolarHBondContact N-O 2.74Å; G138-T168 PolarHBondContact O-N 3.16Å
139	A	96.7	Very high	95.2	Very high	45 Å²	45	68.2 Å²	68.2	37%	0.372	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.2	178.4	0	0	0	0	0	110.4	E136 T166 L167	E136-A139 HydrophobicContact CG-CB 3.87Å; E136-A139 PolarHBondContact OE1-N 2.88Å; A139-T166 WeakPolarHBondContact CA-O 3.35Å; A139-L167 HydrophobicContact CB-CD2 3.55Å
140	N	94.9	Very high	95.1	Very high	107 Å²	107	71 Å²	71	57%	0.572	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.6	179.5	-62.6	-47.2	0	0	0	111.1	T166	N140-T166 PolarHBondContact N-O 3.27Å; N140-T166 PolarHBondContact O-N 3.45Å
141	F	95	Very high	95.1	Very high	131 Å²	131	68.9 Å²	68.9	58%	0.575	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	159.7	167.4	-59.4	-72.9	0	0	0	110.9	I163 L165	F141-I163 HydrophobicContact CD1-CD1 3.59Å; F141-I163 HydrophobicContact CD1-CG1 4.45Å; F141-I163 HydrophobicContact CE1-CD1 3.67Å; F141-L165 HydrophobicContact CD1-CD2 3.31Å; F141-L165 HydrophobicContact CE1-CD2 3.4Å; F141-L165 VanDerWaalsContact CE1-CD2 3.4Å; F141-L165 HydrophobicContact CG-CD2 4.36Å; F141-L165 HydrophobicContact CZ-CD2 4.49Å
142	H	94.3	Very high	95	Very high	50 Å²	50	71 Å²	71	23%	0.231	38%	0.378	C	S	.	.			trans	-111.9	115.9	176.4	-67	-101.6	0	0	0	109.7	N94 N148 T166	N94-H142 PolarHBondContact ND2-CE1 2.85Å; N94-H142 PolarHBondContact ND2-NE2 3.45Å; N94-H142 VanDerWaalsContact ND2-NE2 3.16Å; H142-N148 HydrophobicContact CB-CB 3.94Å; H142-N148 WeakPolarHBondContact O-CB 3.41Å; H142-N148 PolarHBondContact O-N 2.87Å; H142-N148 PolarHBondContact O-ND2 3.06Å; H142-T166 PolarHBondContact CE1-OG1 3.03Å; H142-T166 VanDerWaalsContact CE1-OG1 3.25Å; H142-T166 PolarHBondContact NE2-OG1 2.93Å
143	E	92.5	Very high	94.9	Very high	133 Å²	133	68 Å²	68	62%	0.621	37%	0.365	S	S	*	.			trans	-113.1	0.7	-173.6	-61	175.7	-175.9	0	0	112.8	T145 T146	E143-T145 CarbonylContact O-C 3.58Å; E143-T146 CarbonylContact C-O 3.54Å; E143-T146 VanDerWaalsContact C-O 3.26Å; E143-T146 CarbonylContact O-C 3.57Å; E143-T146 VanDerWaalsContact O-C 3.28Å; E143-T146 WeakPolarHBondContact O-CA 3.4Å; E143-T146 PolarHBondContact O-N 3.03Å
144	V	89.9	Confident	94.9	Very high	124 Å²	124	70.5 Å²	70.5	75%	0.752	38%	0.376	S	S	*	.	S	Bend	trans	-100.8	132.8	-177.9	-178.2	0	0	0	0	110.6	T146 N148	V144-T146 VanDerWaalsContact C-N 3.29Å; V144-N148 PolarHBondContact O-ND2 2.85Å; V144-N148 VanDerWaalsContact O-ND2 3.14Å
145	T	90.6	Very high	94.8	Very high	137 Å²	137	71.7 Å²	71.7	84%	0.84	37%	0.374	S	S	*	.	S	Bend	cis	-77.7	-12.6	-14.2	49.2	0	0	0	0	113.1	E143	E143-T145 CarbonylContact O-C 3.58Å
146	T	90.9	Very high	94.7	Very high	100 Å²	100	75.1 Å²	75.1	61%	0.613	39%	0.392	S	S	*	.	S	Bend	trans	-137.4	169.6	172.5	56.9	0	0	0	0	108.4	E143 V144 N148	E143-T146 CarbonylContact C-O 3.54Å; E143-T146 VanDerWaalsContact C-O 3.26Å; E143-T146 CarbonylContact O-C 3.57Å; E143-T146 VanDerWaalsContact O-C 3.28Å; E143-T146 WeakPolarHBondContact O-CA 3.4Å; E143-T146 PolarHBondContact O-N 3.03Å; V144-T146 VanDerWaalsContact C-N 3.29Å; T146-N148 PolarHBondContact O-N 2.93Å; T146-N148 VanDerWaalsContact O-N 3.15Å; T146-N148 PolarHBondContact O-ND2 3.08Å
147	D	91.4	Very high	94.6	Very high	63 Å²	63	71.5 Å²	71.5	34%	0.337	38%	0.376	S	S	.	.			trans	-52.9	121.4	172.2	-81.6	14.7	0	0	0	111.3	P120 K149	P120-D147 HydrophobicContact CB-CB 4.4Å; D147-K149 HydrophobicContact CB-CD 4.11Å; D147-K149 HydrophobicContact CB-CG 4.29Å; D147-K149 PolarHBondContact O-N 3.35Å; D147-K149 WeakPolarHBondContact OD2-CE 3.31Å; D147-K149 IonicContact OD2-NZ 3.44Å; D147-K149 PolarHBondContact OD2-NZ 3.14Å
148	N	93.7	Very high	94.7	Very high	50 Å²	50	69.7 Å²	69.7	27%	0.267	37%	0.371	S	S	.	.			trans	-80.9	63.7	179.8	-73.1	-119.7	0	0	0	109.9	H142 V144 T146 R164	H142-N148 HydrophobicContact CB-CB 3.94Å; H142-N148 WeakPolarHBondContact O-CB 3.41Å; H142-N148 PolarHBondContact O-N 2.87Å; H142-N148 PolarHBondContact O-ND2 3.06Å; V144-N148 PolarHBondContact O-ND2 2.85Å; V144-N148 VanDerWaalsContact O-ND2 3.14Å; T146-N148 PolarHBondContact O-N 2.93Å; T146-N148 VanDerWaalsContact O-N 3.15Å; T146-N148 PolarHBondContact O-ND2 3.08Å; N148-R164 HydrophobicContact CB-CB 3.78Å; N148-R164 PolarHBondContact O-N 2.84Å
149	K	95.6	Very high	94.8	Very high	65 Å²	65	68.5 Å²	68.5	28%	0.283	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.6	179.7	-59.8	170.4	-173.3	157.8	0	108.5	P120 L123 D147 S162 I163	P120-K149 HydrophobicContact CB-CB 4.12Å; P120-K149 HydrophobicContact CG-CB 4.39Å; P120-K149 WeakPolarHBondContact CG-O 3.46Å; L123-K149 HydrophobicContact CD1-CB 3.67Å; L123-K149 HydrophobicContact CD1-CD 3.6Å; L123-K149 HydrophobicContact CD1-CG 4.14Å; D147-K149 HydrophobicContact CB-CD 4.11Å; D147-K149 HydrophobicContact CB-CG 4.29Å; D147-K149 PolarHBondContact O-N 3.35Å; D147-K149 WeakPolarHBondContact OD2-CE 3.31Å; D147-K149 IonicContact OD2-NZ 3.44Å; D147-K149 PolarHBondContact OD2-NZ 3.14Å; K149-S162 CarbonylContact C-O 3.6Å; K149-S162 WeakPolarHBondContact CA-O 3.45Å; K149-I163 HydrophobicContact CD-CD1 4.33Å; K149-I163 HydrophobicContact CG-CD1 3.86Å; K149-I163 HydrophobicContact CG-CG1 3.98Å
150	L	95.8	Very high	94.8	Very high	68 Å²	68	67.5 Å²	67.5	36%	0.356	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.3	174.3	175.4	158.8	0	0	0	107.8	R152 L160 Y161 S162	L150-R152 HydrophobicContact CD2-CB 4.19Å; L150-L160 HydrophobicContact CD2-CD2 4.28Å; L150-L160 HydrophobicContact CD2-CG 4.35Å; L150-Y161 WeakPolarHBondContact O-CA 3.43Å; L150-S162 PolarHBondContact N-O 2.99Å; L150-S162 PolarHBondContact O-N 3.35Å
151	L	96.4	Very high	95	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.5	174.5	177.4	61.2	0	0	0	108.8	L118 L123 I126 V159	L118-L151 HydrophobicContact CB-CB 4.38Å; L118-L151 HydrophobicContact CB-CD2 4.02Å; L118-L151 HydrophobicContact CB-CG 4.18Å; L118-L151 HydrophobicContact CD1-CD2 3.98Å; L118-L151 HydrophobicContact CD1-CG 4.38Å; L118-L151 PolarHBondContact N-O 2.96Å; L123-L151 HydrophobicContact CD2-CB 4.02Å; L123-L151 HydrophobicContact CD2-CD1 3.96Å; L123-L151 HydrophobicContact CD2-CD2 3.92Å; L123-L151 HydrophobicContact CD2-CG 4.18Å; L123-L151 HydrophobicContact CG-CB 4.28Å; L123-L151 HydrophobicContact CG-CD2 4.16Å; I126-L151 HydrophobicContact CD1-CD1 3.56Å; I126-L151 HydrophobicContact CD1-CD2 3.8Å; I126-L151 HydrophobicContact CD1-CG 4.35Å; L151-V159 HydrophobicContact CD1-CG1 3.59Å
152	R	96.8	Very high	95.1	Very high	72 Å²	72	58 Å²	58	27%	0.272	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.8	175.2	178.8	178	-64.5	172.6	-3	110.1	L116 D117 L150 F154 V159 L160	L116-R152 WeakPolarHBondContact O-CA 3.45Å; D117-R152 VanDerWaalsContact CG-NH2 3.3Å; D117-R152 IonicContact OD1-CZ 2.65Å; D117-R152 IonicContact OD1-NE 2.88Å; D117-R152 PolarHBondContact OD1-NE 3.15Å; D117-R152 IonicContact OD1-NH2 3.66Å; D117-R152 PolarHBondContact OD1-NH2 3.27Å; D117-R152 IonicContact OD2-CZ 3.2Å; D117-R152 IonicContact OD2-NE 2.66Å; D117-R152 IonicContact OD2-NH2 2.9Å; D117-R152 PolarHBondContact OD2-NH2 3.35Å; L150-R152 HydrophobicContact CD2-CB 4.19Å; R152-F154 HydrophobicContact CG-CE2 4.08Å; R152-F154 HydrophobicContact CG-CZ 4.28Å; R152-V159 WeakPolarHBondContact O-CA 3.25Å; R152-L160 HydrophobicContact CB-CB 4.26Å; R152-L160 PolarHBondContact N-O 2.93Å; R152-L160 PolarHBondContact O-N 3.33Å
153	I	96.2	Very high	95.2	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.8	177.8	-54.2	-177.1	0	0	0	109.2	L106 Y108 S115 L116 L118	L106-I153 HydrophobicContact CB-CD1 4.45Å; L106-I153 HydrophobicContact CB-CG2 4.12Å; L106-I153 HydrophobicContact CD1-CD1 4.11Å; Y108-I153 HydrophobicContact CD1-CG2 4.47Å; Y108-I153 HydrophobicContact CE1-CG2 4.15Å; Y108-I153 PolarHBondContact OH-O 3.41Å; S115-I153 CarbonylContact C-O 3.55Å; S115-I153 VanDerWaalsContact CA-O 3.3Å; S115-I153 WeakPolarHBondContact CA-O 3.42Å; L116-I153 PolarHBondContact N-O 2.97Å; L116-I153 PolarHBondContact O-N 2.9Å; L118-I153 HydrophobicContact CD1-CD1 3.43Å; L118-I153 VanDerWaalsContact CD1-CD1 3.43Å; L118-I153 HydrophobicContact CD1-CG1 3.89Å
154	F	97	Very high	95.5	Very high	69 Å²	69	53 Å²	53	30%	0.303	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	154.4	176.2	-65.3	-95.1	0	0	0	111	D114 R152 N156 G157 N158 L160	D114-F154 VanDerWaalsContact O-CA 3.3Å; D114-F154 WeakPolarHBondContact O-CA 3.2Å; R152-F154 HydrophobicContact CG-CE2 4.08Å; R152-F154 HydrophobicContact CG-CZ 4.28Å; F154-N156 WeakPolarHBondContact CB-OD1 3.48Å; F154-N156 PolarHBondContact O-N 2.92Å; F154-G157 PolarHBondContact O-N 2.98Å; F154-N158 HydrophobicContact CB-CB 4.08Å; F154-N158 HydrophobicContact CD2-CB 4.04Å; F154-N158 WeakPolarHBondContact CD2-O 3.46Å; F154-N158 HydrophobicContact CG-CB 4.35Å; F154-N158 PolarHBondContact N-O 2.99Å; F154-L160 HydrophobicContact CE2-CB 4.1Å
155	K	95.8	Very high	95.8	Very high	64 Å²	64	47.6 Å²	47.6	28%	0.278	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-37.9	-179.9	-82.9	-179.7	176.7	148.4	0	114.6	A107 Y108 Y111 P112 D113 D114 G157	A107-K155 WeakPolarHBondContact CA-O 3.33Å; A107-K155 WeakPolarHBondContact CB-O 3.36Å; Y108-K155 HydrophobicContact CD2-CG 3.99Å; Y108-K155 HydrophobicContact CE1-CG 4.47Å; Y108-K155 HydrophobicContact CE2-CB 4.36Å; Y108-K155 HydrophobicContact CE2-CG 3.4Å; Y108-K155 PolarHBondContact N-O 3.04Å; Y108-K155 VanDerWaalsContact N-O 3.11Å; Y108-K155 PolarHBondContact OH-N 3.24Å; Y111-K155 WeakPolarHBondContact O-CE 3.38Å; P112-K155 VanDerWaalsContact C-NZ 3.32Å; P112-K155 WeakPolarHBondContact O-CE 3.21Å; P112-K155 PolarHBondContact O-NZ 2.79Å; D113-K155 WeakPolarHBondContact O-CE 3.45Å; D113-K155 WeakPolarHBondContact O-CG 3.41Å; D114-K155 PolarHBondContact O-N 2.92Å; D114-K155 IonicContact OD1-NZ 2.78Å; D114-K155 PolarHBondContact OD1-NZ 2.8Å; K155-G157 PolarHBondContact O-N 2.89Å
156	N	95.7	Very high	96.2	Very high	93 Å²	93	42 Å²	42	50%	0.497	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	5.1	-178	68.9	-11.4	0	0	0	114.3	N102 F154 N158	N102-N156 PolarHBondContact ND2-O 3.2Å; N102-N156 VanDerWaalsContact ND2-O 3.09Å; F154-N156 WeakPolarHBondContact CB-OD1 3.48Å; F154-N156 PolarHBondContact O-N 2.92Å; N156-N158 VanDerWaalsContact C-N 3.35Å; N156-N158 PolarHBondContact ND2-ND2 2.64Å; N156-N158 VanDerWaalsContact OD1-CB 3.26Å; N156-N158 WeakPolarHBondContact OD1-CB 3.44Å; N156-N158 VanDerWaalsContact OD1-CG 3.3Å; N156-N158 PolarHBondContact OD1-N 3.04Å
157	G	95.8	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	83.9	4.7	-176.4	0	0	0	0	0	114.1	D103 F154 K155	D103-G157 PolarHBondContact N-O 3.21Å; D103-G157 WeakPolarHBondContact O-CA 3.26Å; F154-G157 PolarHBondContact O-N 2.98Å; K155-G157 PolarHBondContact O-N 2.89Å
158	N	97.7	Very high	96.9	Very high	64 Å²	64	36.1 Å²	36.1	34%	0.342	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	138.2	169.2	-72.1	-12.8	0	0	0	109.8	W101 N102 F154 N156	W101-N158 CarbonylContact O-C 3.58Å; W101-N158 WeakPolarHBondContact O-CA 3.39Å; N102-N158 WeakPolarHBondContact CB-OD1 3.34Å; N102-N158 PolarHBondContact ND2-OD1 2.72Å; F154-N158 HydrophobicContact CB-CB 4.08Å; F154-N158 HydrophobicContact CD2-CB 4.04Å; F154-N158 WeakPolarHBondContact CD2-O 3.46Å; F154-N158 HydrophobicContact CG-CB 4.35Å; F154-N158 PolarHBondContact N-O 2.99Å; N156-N158 VanDerWaalsContact C-N 3.35Å; N156-N158 PolarHBondContact ND2-ND2 2.64Å; N156-N158 VanDerWaalsContact OD1-CB 3.26Å; N156-N158 WeakPolarHBondContact OD1-CB 3.44Å; N156-N158 VanDerWaalsContact OD1-CG 3.3Å; N156-N158 PolarHBondContact OD1-N 3.04Å
159	V	97.7	Very high	97.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.1	177.9	-175.8	0	0	0	0	108.2	K100 W101 D103 L106 L151 R152	K100-V159 VanDerWaalsContact CA-O 3.28Å; K100-V159 WeakPolarHBondContact CA-O 3.39Å; W101-V159 HydrophobicContact CD2-CB 4.12Å; W101-V159 HydrophobicContact CH2-CB 4.28Å; W101-V159 HydrophobicContact CH2-CG1 3.7Å; W101-V159 HydrophobicContact CZ2-CB 3.83Å; W101-V159 HydrophobicContact CZ2-CG1 3.53Å; W101-V159 HydrophobicContact CZ2-CG2 4.33Å; W101-V159 HydrophobicContact CZ3-CG1 4.29Å; W101-V159 PolarHBondContact N-O 3.09Å; W101-V159 PolarHBondContact O-N 3.06Å; D103-V159 HydrophobicContact CB-CG2 4.47Å; L106-V159 HydrophobicContact CD1-CG2 3.88Å; L151-V159 HydrophobicContact CD1-CG1 3.59Å; R152-V159 WeakPolarHBondContact O-CA 3.25Å
160	L	97.8	Very high	97.2	Very high	24 Å²	24	32.5 Å²	32.5	13%	0.126	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.6	166.4	170.2	66.6	0	0	0	107.9	R98 K100 L150 R152 F154	R98-L160 HydrophobicContact CB-CD1 4.3Å; K100-L160 HydrophobicContact CD-CD1 4.45Å; K100-L160 HydrophobicContact CG-CD1 3.77Å; L150-L160 HydrophobicContact CD2-CD2 4.28Å; L150-L160 HydrophobicContact CD2-CG 4.35Å; R152-L160 HydrophobicContact CB-CB 4.26Å; R152-L160 PolarHBondContact N-O 2.93Å; R152-L160 PolarHBondContact O-N 3.33Å; F154-L160 HydrophobicContact CE2-CB 4.1Å
161	Y	97.7	Very high	97.3	Very high	22 Å²	22	29.2 Å²	29.2	9%	0.086	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.2	172.7	172.3	-133.4	0	0	0	109	R98 Q99 W101 L123 L150 I163	R98-Y161 CarbonylContact C-O 3.58Å; R98-Y161 VanDerWaalsContact CA-O 3.32Å; R98-Y161 WeakPolarHBondContact CA-O 3.33Å; Q99-Y161 HydrophobicContact CB-CD1 4.48Å; Q99-Y161 PolarHBondContact N-O 3.39Å; Q99-Y161 PolarHBondContact O-N 2.91Å; W101-Y161 HydrophobicContact CH2-CD1 4.44Å; W101-Y161 HydrophobicContact CH2-CG 4.35Å; W101-Y161 HydrophobicContact CZ3-CD1 4.36Å; W101-Y161 HydrophobicContact CZ3-CG 4.41Å; L123-Y161 HydrophobicContact CD1-CD2 4.31Å; L123-Y161 HydrophobicContact CD1-CE2 3.76Å; L123-Y161 HydrophobicContact CD2-CD2 3.7Å; L123-Y161 HydrophobicContact CD2-CE2 3.79Å; L123-Y161 HydrophobicContact CG-CE2 4.48Å; L150-Y161 WeakPolarHBondContact O-CA 3.43Å; Y161-I163 HydrophobicContact CE1-CG2 4.36Å; Y161-I163 HydrophobicContact CE2-CB 4.24Å; Y161-I163 WeakPolarHBondContact OH-CD1 3.45Å
162	S	97.8	Very high	97.3	Very high	17 Å²	17	33.9 Å²	33.9	12%	0.119	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.6	176.6	175.6	0	0	0	0	110.1	L97 K149 L150	L97-S162 CarbonylContact O-C 3.54Å; L97-S162 VanDerWaalsContact O-CA 3.28Å; L97-S162 WeakPolarHBondContact O-CA 3.21Å; K149-S162 CarbonylContact C-O 3.6Å; K149-S162 WeakPolarHBondContact CA-O 3.45Å; L150-S162 PolarHBondContact N-O 2.99Å; L150-S162 PolarHBondContact O-N 3.35Å
163	I	97.3	Very high	97.3	Very high	7 Å²	7	31 Å²	31	4%	0.036	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.5	179	-173.7	163.9	0	0	0	111.1	F96 L97 F141 K149 Y161 L165	F96-I163 WeakPolarHBondContact CA-O 3.28Å; L97-I163 HydrophobicContact CB-CG2 4.09Å; L97-I163 HydrophobicContact CD2-CG2 4.32Å; L97-I163 PolarHBondContact N-O 3.46Å; L97-I163 PolarHBondContact O-N 2.89Å; F141-I163 HydrophobicContact CD1-CD1 3.59Å; F141-I163 HydrophobicContact CD1-CG1 4.45Å; F141-I163 HydrophobicContact CE1-CD1 3.67Å; K149-I163 HydrophobicContact CD-CD1 4.33Å; K149-I163 HydrophobicContact CG-CD1 3.86Å; K149-I163 HydrophobicContact CG-CG1 3.98Å; Y161-I163 HydrophobicContact CE1-CG2 4.36Å; Y161-I163 HydrophobicContact CE2-CB 4.24Å; Y161-I163 WeakPolarHBondContact OH-CD1 3.45Å; I163-L165 HydrophobicContact CD1-CD2 4.13Å; I163-L165 HydrophobicContact CG1-CD2 4.08Å; I163-L165 HydrophobicContact CG1-CG 4.44Å; I163-L165 HydrophobicContact CG2-CD1 4.25Å; I163-L165 HydrophobicContact CG2-CD2 4.49Å; I163-L165 HydrophobicContact CG2-CG 4.21Å
164	R	97.8	Very high	97.2	Very high	70 Å²	70	34.4 Å²	34.4	26%	0.264	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127	172.4	-173.1	-177.1	-168.6	-175.4	-4.8	111	N94 I95 F96 N148	N94-R164 PolarHBondContact OD1-NE 2.92Å; N94-R164 PolarHBondContact OD1-NH2 2.82Å; I95-R164 WeakPolarHBondContact O-CA 3.34Å; F96-R164 HydrophobicContact CD1-CB 3.79Å; F96-R164 HydrophobicContact CD1-CG 3.78Å; F96-R164 HydrophobicContact CE1-CB 3.92Å; F96-R164 HydrophobicContact CE1-CG 3.6Å; N148-R164 HydrophobicContact CB-CB 3.78Å; N148-R164 PolarHBondContact O-N 2.84Å
165	L	97.6	Very high	97.1	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.052	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.2	179.6	-58.8	174.6	0	0	0	110.9	N94 I95 L97 F133 F141 I163 L167	N94-L165 WeakPolarHBondContact CA-O 3.29Å; N94-L165 PolarHBondContact ND2-O 3.2Å; I95-L165 HydrophobicContact CG1-CB 4.16Å; I95-L165 PolarHBondContact N-O 2.91Å; I95-L165 PolarHBondContact O-N 2.75Å; L97-L165 HydrophobicContact CB-CD1 4.36Å; L97-L165 HydrophobicContact CD2-CD1 4.2Å; F133-L165 HydrophobicContact CE2-CD1 3.7Å; F133-L165 HydrophobicContact CZ-CD1 4.15Å; F141-L165 HydrophobicContact CD1-CD2 3.31Å; F141-L165 HydrophobicContact CE1-CD2 3.4Å; F141-L165 VanDerWaalsContact CE1-CD2 3.4Å; F141-L165 HydrophobicContact CG-CD2 4.36Å; F141-L165 HydrophobicContact CZ-CD2 4.49Å; I163-L165 HydrophobicContact CD1-CD2 4.13Å; I163-L165 HydrophobicContact CG1-CD2 4.08Å; I163-L165 HydrophobicContact CG1-CG 4.44Å; I163-L165 HydrophobicContact CG2-CD1 4.25Å; I163-L165 HydrophobicContact CG2-CD2 4.49Å; I163-L165 HydrophobicContact CG2-CG 4.21Å; L165-L167 HydrophobicContact CB-CD2 4.17Å; L165-L167 HydrophobicContact CB-CG 4.26Å
166	T	98.3	Very high	97	Very high	20 Å²	20	33.3 Å²	33.3	12%	0.123	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123	159.4	-66.9	0	0	0	0	108.5	R92 V93 N94 A139 N140 H142	R92-T166 HydrophobicContact CG-CG2 3.88Å; V93-T166 CarbonylContact O-C 3.53Å; V93-T166 WeakPolarHBondContact O-CA 3.39Å; N94-T166 PolarHBondContact ND2-OG1 2.95Å; A139-T166 WeakPolarHBondContact CA-O 3.35Å; N140-T166 PolarHBondContact N-O 3.27Å; N140-T166 PolarHBondContact O-N 3.45Å; H142-T166 PolarHBondContact CE1-OG1 3.03Å; H142-T166 VanDerWaalsContact CE1-OG1 3.25Å; H142-T166 PolarHBondContact NE2-OG1 2.93Å
167	L	98.2	Very high	96.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.3	-178.2	-53.4	171.8	0	0	0	109.9	R92 V93 I95 F133 A139 L165 L169 M187	R92-L167 CarbonylContact C-O 3.5Å; R92-L167 VanDerWaalsContact CA-O 3.28Å; R92-L167 WeakPolarHBondContact CA-O 3.24Å; R92-L167 WeakPolarHBondContact CG-O 3.27Å; V93-L167 HydrophobicContact CG2-CB 3.93Å; V93-L167 HydrophobicContact CG2-CD1 4.43Å; V93-L167 PolarHBondContact N-O 3.23Å; V93-L167 PolarHBondContact O-N 3.48Å; I95-L167 HydrophobicContact CD1-CD1 3.73Å; I95-L167 HydrophobicContact CG1-CD1 4.31Å; F133-L167 HydrophobicContact CD1-CD1 3.76Å; F133-L167 HydrophobicContact CD2-CD1 3.86Å; F133-L167 HydrophobicContact CD2-CD2 3.83Å; F133-L167 HydrophobicContact CE1-CD1 3.5Å; F133-L167 VanDerWaalsContact CE1-CD1 3.5Å; F133-L167 HydrophobicContact CE2-CD1 3.64Å; F133-L167 HydrophobicContact CE2-CD2 3.92Å; F133-L167 HydrophobicContact CE2-CG 4.42Å; F133-L167 HydrophobicContact CG-CD1 3.93Å; F133-L167 HydrophobicContact CG-CD2 4.44Å; F133-L167 HydrophobicContact CZ-CD1 3.46Å; F133-L167 VanDerWaalsContact CZ-CD1 3.46Å; A139-L167 HydrophobicContact CB-CD2 3.55Å; L165-L167 HydrophobicContact CB-CD2 4.17Å; L165-L167 HydrophobicContact CB-CG 4.26Å; L167-L169 HydrophobicContact CB-CD1 4.32Å; L167-L169 HydrophobicContact CB-CD2 4.25Å; L167-L169 HydrophobicContact CB-CG 3.98Å; L167-L169 HydrophobicContact CD1-CD1 4.42Å; L167-M187 HydrophobicContact CD1-CE 4.49Å
168	T	98.4	Very high	96.9	Very high	39 Å²	39	30.3 Å²	30.3	24%	0.239	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.3	163.5	-58.2	0	0	0	0	107	D90 Y91 K137 G138	D90-T168 HydrophobicContact CB-CG2 4.03Å; Y91-T168 WeakPolarHBondContact O-CA 3.03Å; K137-T168 HydrophobicContact CB-CG2 4.41Å; K137-T168 PolarHBondContact N-O 3.01Å; G138-T168 PolarHBondContact N-O 2.74Å; G138-T168 PolarHBondContact O-N 3.16Å
169	L	98.4	Very high	96.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137	-172.1	-66.1	170.2	0	0	0	110.1	D90 Y91 V93 F133 E136 L167 M187	D90-L169 WeakPolarHBondContact CA-O 3.44Å; D90-L169 WeakPolarHBondContact CB-O 3.4Å; Y91-L169 HydrophobicContact CD1-CB 4.06Å; Y91-L169 VanDerWaalsContact CD1-O 3.3Å; Y91-L169 WeakPolarHBondContact CD1-O 3.32Å; Y91-L169 HydrophobicContact CE1-CB 3.45Å; Y91-L169 VanDerWaalsContact CE1-CB 3.45Å; Y91-L169 HydrophobicContact CE1-CD1 4.38Å; Y91-L169 HydrophobicContact CE2-CB 4.34Å; Y91-L169 HydrophobicContact CE2-CD1 4.06Å; Y91-L169 PolarHBondContact N-O 3.25Å; Y91-L169 PolarHBondContact O-N 2.85Å; Y91-L169 VanDerWaalsContact OH-CD1 3.26Å; Y91-L169 WeakPolarHBondContact OH-CD1 3.34Å; V93-L169 HydrophobicContact CG2-CD1 3.91Å; F133-L169 HydrophobicContact CB-CD2 4.26Å; E136-L169 HydrophobicContact CB-CD2 3.98Å; L167-L169 HydrophobicContact CB-CD1 4.32Å; L167-L169 HydrophobicContact CB-CD2 4.25Å; L167-L169 HydrophobicContact CB-CG 3.98Å; L167-L169 HydrophobicContact CD1-CD1 4.42Å; L169-M187 HydrophobicContact CD1-CB 3.92Å; L169-M187 HydrophobicContact CD1-CE 3.55Å; L169-M187 HydrophobicContact CD1-CG 3.74Å; L169-M187 HydrophobicContact CD1-SD 4.44Å
170	S	98.1	Very high	96.5	Very high	38 Å²	38	27.7 Å²	27.7	27%	0.266	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	130	173.8	-172.3	0	0	0	0	110.2	N135	N135-S170 PolarHBondContact ND2-O 2.8Å; N135-S170 WeakPolarHBondContact O-CB 3.25Å; N135-S170 PolarHBondContact O-N 2.95Å
171	C	97.8	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.			trans	-133.8	97.7	174.7	177.7	0	0	0	0	108.8	M89 Y91 M173 C185	M89-C171 CarbonylContact C-O 3.37Å; M89-C171 WeakPolarHBondContact CB-O 3.32Å; M89-C171 PolarHBondContact O-N 2.86Å; Y91-C171 HydrophobicContact CD1-CB 3.61Å; Y91-C171 HydrophobicContact CE1-CB 3.87Å; C171-M173 HydrophobicContact CB-CE 4.49Å; C171-M173 PolarHBondContact O-N 3.47Å; C171-C185 HydrophobicContact CB-CB 3.8Å; C171-C185 WeakPolarHBondContact CB-SG 3.13Å; C171-C185 WeakPolarHBondContact SG-CA 3.42Å; C171-C185 WeakPolarHBondContact SG-CB 3.31Å; C171-C185 CovalentContact SG-SG 2.05Å; C171-C185 PolarHBondContact SG-SG 3.34Å
172	P	96.3	Very high	96.2	Very high	98 Å²	98	26.6 Å²	26.6	64%	0.636	14%	0.144	S	C	*	.			trans	-67.6	114.2	174.8	27.2	-31.7	0	0	0	109.5
173	M	95.6	Very high	96	Very high	12 Å²	12	26 Å²	26	6%	0.059	14%	0.139	C	C	.	.			trans	-96.1	141.2	-175.2	-64.1	174.5	-163.1	0	0	111.8	I84 E86 C171 L175 Q183	I84-M173 HydrophobicContact CG2-CE 3.56Å; E86-M173 HydrophobicContact CB-SD 4.42Å; E86-M173 HydrophobicContact CG-SD 3.98Å; C171-M173 HydrophobicContact CB-CE 4.49Å; C171-M173 PolarHBondContact O-N 3.47Å; M173-L175 HydrophobicContact CB-CD2 4.18Å; M173-L175 HydrophobicContact CB-CG 4.44Å; M173-Q183 VanDerWaalsContact CA-OE1 3.24Å; M173-Q183 VanDerWaalsContact CB-OE1 3.27Å; M173-Q183 HydrophobicContact CG-CG 4.26Å
174	D	94.6	Very high	96	Very high	74 Å²	74	27.7 Å²	27.7	40%	0.396	15%	0.15	S	C	.	.			trans	-98	112.3	168.2	-169.4	-5.9	0	0	0	109.7	K176 Q183	D174-K176 WeakPolarHBondContact OD1-CD 3.28Å; D174-K176 VanDerWaalsContact OD1-CG 3.23Å; D174-K176 WeakPolarHBondContact OD1-CG 3.23Å; D174-K176 PolarHBondContact OD1-N 3.19Å; D174-K176 IonicContact OD1-NZ 3.64Å; D174-K176 WeakPolarHBondContact OD2-CE 3.18Å; D174-K176 IonicContact OD2-NZ 3.95Å; D174-K176 PolarHBondContact OD2-NZ 3.14Å; D174-Q183 VanDerWaalsContact N-OE1 3.12Å; D174-Q183 PolarHBondContact O-NE2 3.07Å
175	L	95.4	Very high	96	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.137	C	C	.	.			trans	-101.4	10.8	-173.2	-59.2	177	0	0	0	113.3	M173 N177 F178 P308 Y312 K314	M173-L175 HydrophobicContact CB-CD2 4.18Å; M173-L175 HydrophobicContact CB-CG 4.44Å; L175-N177 PolarHBondContact O-N 3.04Å; L175-F178 HydrophobicContact CB-CB 4.26Å; L175-F178 HydrophobicContact CD2-CD2 4.45Å; L175-F178 WeakPolarHBondContact O-CB 3.45Å; L175-F178 PolarHBondContact O-N 2.91Å; L175-P308 HydrophobicContact CD1-CG 3.56Å; L175-Y312 HydrophobicContact CB-CE2 4.22Å; L175-Y312 PolarHBondContact N-OH 3.35Å; L175-K314 HydrophobicContact CB-CD 4.11Å; L175-K314 WeakPolarHBondContact O-CG 3.32Å
176	K	93.3	Very high	96	Very high	108 Å²	108	25.5 Å²	25.5	47%	0.47	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-44.7	179.6	-75.3	168	-164.2	142.5	0	112.5	D174 F178 Y312 K314 A315	D174-K176 WeakPolarHBondContact OD1-CD 3.28Å; D174-K176 VanDerWaalsContact OD1-CG 3.23Å; D174-K176 WeakPolarHBondContact OD1-CG 3.23Å; D174-K176 PolarHBondContact OD1-N 3.19Å; D174-K176 IonicContact OD1-NZ 3.64Å; D174-K176 WeakPolarHBondContact OD2-CE 3.18Å; D174-K176 IonicContact OD2-NZ 3.95Å; D174-K176 PolarHBondContact OD2-NZ 3.14Å; K176-F178 VanDerWaalsContact C-N 3.34Å; K176-Y312 HydrophobicContact CG-CD2 3.95Å; K176-Y312 HydrophobicContact CG-CE2 4.04Å; K176-K314 CarbonylContact O-C 3.57Å; K176-K314 WeakPolarHBondContact O-CA 3.14Å; K176-A315 PolarHBondContact O-N 3.27Å
177	N	94.2	Very high	96	Very high	30 Å²	30	24.5 Å²	24.5	16%	0.16	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	8.7	-176.8	-67.3	-16.8	0	0	0	113.4	L175 M180 D458	L175-N177 PolarHBondContact O-N 3.04Å; N177-M180 CarbonylContact O-C 3.5Å; N177-M180 WeakPolarHBondContact O-CA 3.35Å; N177-M180 PolarHBondContact O-N 3.14Å; N177-D458 PolarHBondContact ND2-OD2 3.32Å
178	F	94.6	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	128.2	-178	176.7	-87.2	0	0	0	112	L175 K176 Y256 L307 K314 A315 I316	L175-F178 HydrophobicContact CB-CB 4.26Å; L175-F178 HydrophobicContact CD2-CD2 4.45Å; L175-F178 WeakPolarHBondContact O-CB 3.45Å; L175-F178 PolarHBondContact O-N 2.91Å; K176-F178 VanDerWaalsContact C-N 3.34Å; F178-Y256 HydrophobicContact CE1-CE1 4.17Å; F178-Y256 HydrophobicContact CE2-CE1 4.02Å; F178-Y256 AromaticContact CE2-CZ 3.92Å; F178-Y256 HydrophobicContact CZ-CD1 4.13Å; F178-Y256 AromaticContact CZ-CE1 3.38Å; F178-Y256 HydrophobicContact CZ-CE1 3.38Å; F178-Y256 AromaticContact CZ-CZ 3.79Å; F178-L307 HydrophobicContact CD1-CD1 3.92Å; F178-L307 HydrophobicContact CD2-CD2 4.23Å; F178-L307 HydrophobicContact CE1-CD1 3.62Å; F178-L307 HydrophobicContact CE1-CD2 4.4Å; F178-L307 HydrophobicContact CE2-CD1 4.39Å; F178-L307 HydrophobicContact CE2-CD2 3.71Å; F178-L307 HydrophobicContact CG-CD1 4.41Å; F178-L307 HydrophobicContact CZ-CD1 3.85Å; F178-L307 HydrophobicContact CZ-CD2 3.79Å; F178-L307 HydrophobicContact CZ-CG 4.28Å; F178-K314 HydrophobicContact CB-CD 4.42Å; F178-A315 WeakPolarHBondContact O-CB 3.34Å; F178-I316 HydrophobicContact CD1-CB 4.09Å; F178-I316 HydrophobicContact CD1-CG2 3.63Å; F178-I316 HydrophobicContact CE1-CB 4.41Å; F178-I316 HydrophobicContact CE1-CG2 4.04Å; F178-I316 PolarHBondContact O-N 2.86Å; F178-I316 VanDerWaalsContact O-N 3.08Å
179	P	94.4	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	cis	-101.2	19.7	10.2	38.3	-35.1	0	0	0	115.6	D181 R251 M253 Y256 Y261	P179-D181 VanDerWaalsContact C-OD1 3.24Å; P179-D181 WeakPolarHBondContact CA-OD1 3.44Å; P179-R251 WeakPolarHBondContact O-CD 3.39Å; P179-M253 HydrophobicContact CB-SD 4.32Å; P179-M253 HydrophobicContact CG-CE 3.92Å; P179-M253 HydrophobicContact CG-SD 3.7Å; P179-Y256 HydrophobicContact CB-CD1 3.89Å; P179-Y256 HydrophobicContact CB-CD2 3.53Å; P179-Y256 HydrophobicContact CB-CE1 4.18Å; P179-Y256 HydrophobicContact CB-CE2 3.83Å; P179-Y256 HydrophobicContact CB-CG 3.55Å; P179-Y256 HydrophobicContact CG-CD1 4.25Å; P179-Y256 HydrophobicContact CG-CD2 4.16Å; P179-Y256 HydrophobicContact CG-CG 3.8Å; P179-Y261 WeakPolarHBondContact CD-OH 3.41Å; P179-Y261 HydrophobicContact CG-CE2 4.04Å
180	M	93.6	Very high	96	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.049	13%	0.131	C	C	.	.	S	Bend	trans	-101.4	34.1	178.6	-67	172.5	-79.9	0	0	111.8	N177 M253 Y447 W448 Y451	N177-M180 CarbonylContact O-C 3.5Å; N177-M180 WeakPolarHBondContact O-CA 3.35Å; N177-M180 PolarHBondContact O-N 3.14Å; M180-M253 HydrophobicContact CG-CE 4.03Å; M180-M253 HydrophobicContact CG-SD 3.84Å; M180-M253 HydrophobicContact SD-CE 4.27Å; M180-Y447 HydrophobicContact CE-CE1 4.02Å; M180-W448 HydrophobicContact CE-CZ3 4.26Å; M180-W448 HydrophobicContact SD-CE3 4.2Å; M180-W448 HydrophobicContact SD-CZ3 3.84Å; M180-Y451 HydrophobicContact CE-CD1 4.42Å; M180-Y451 HydrophobicContact CE-CD2 4.14Å; M180-Y451 HydrophobicContact CE-CG 3.72Å
181	D	93.8	Very high	96	Very high	5 Å²	5	22 Å²	22	3%	0.027	12%	0.118	C	C	.	.			trans	-89.8	151.8	-176.2	52.9	-57.7	0	0	0	113.4	P179 Q183 R251	P179-D181 VanDerWaalsContact C-OD1 3.24Å; P179-D181 WeakPolarHBondContact CA-OD1 3.44Å; D181-Q183 PolarHBondContact OD2-NE2 3.07Å; D181-R251 PolarHBondContact O-N 3.35Å; D181-R251 WeakPolarHBondContact OD1-CD 3.3Å; D181-R251 IonicContact OD1-CZ 2.81Å; D181-R251 IonicContact OD1-NE 3.29Å; D181-R251 PolarHBondContact OD1-NE 3.28Å; D181-R251 IonicContact OD1-NH2 2.78Å; D181-R251 IonicContact OD2-CZ 3.86Å; D181-R251 IonicContact OD2-NE 3.28Å; D181-R251 PolarHBondContact OD2-NE 3.49Å; D181-R251 VanDerWaalsContact OD2-NE 3.12Å; D181-R251 IonicContact OD2-NH2 2.67Å; D181-R251 PolarHBondContact OD2-NH2 3Å
182	V	93.9	Very high	95.9	Very high	18 Å²	18	29.2 Å²	29.2	11%	0.109	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120	164.9	-178.6	0	0	0	0	107.5	L249 E250 I459	V182-L249 WeakPolarHBondContact CA-O 3.36Å; V182-E250 HydrophobicContact CG2-CB 4.45Å; V182-E250 HydrophobicContact CG2-CG 4.35Å; V182-I459 HydrophobicContact CG2-CG1 4.12Å
183	Q	95.4	Very high	95.9	Very high	6 Å²	6	27 Å²	27	3%	0.028	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.9	179.5	-60.2	-57.6	-29	0	0	110.3	M173 D174 D181 F220 L249	M173-Q183 VanDerWaalsContact CA-OE1 3.24Å; M173-Q183 VanDerWaalsContact CB-OE1 3.27Å; M173-Q183 HydrophobicContact CG-CG 4.26Å; D174-Q183 VanDerWaalsContact N-OE1 3.12Å; D174-Q183 PolarHBondContact O-NE2 3.07Å; D181-Q183 PolarHBondContact OD2-NE2 3.07Å; Q183-F220 HydrophobicContact CG-CE1 4.44Å; Q183-L249 HydrophobicContact CB-CB 4.34Å; Q183-L249 PolarHBondContact N-O 3.02Å; Q183-L249 PolarHBondContact O-N 2.05Å
184	T	96.3	Very high	96	Very high	42 Å²	42	29.1 Å²	29.1	26%	0.258	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	103.6	172.8	-58.6	0	0	0	0	108.7	R246 F247 H248	T184-R246 HydrophobicContact CG2-CB 3.86Å; T184-R246 HydrophobicContact CG2-CG 4.4Å; T184-F247 WeakPolarHBondContact CA-O 3.33Å; T184-H248 PolarHBondContact OG1-ND1 3.21Å
185	C	97.6	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.6	178	-68.7	0	0	0	0	110.8	Y91 C171 F247 L249	Y91-C185 HydrophobicContact CD1-CB 4.01Å; Y91-C185 HydrophobicContact CE1-CB 3.7Å; C171-C185 HydrophobicContact CB-CB 3.8Å; C171-C185 WeakPolarHBondContact CB-SG 3.13Å; C171-C185 WeakPolarHBondContact SG-CA 3.42Å; C171-C185 WeakPolarHBondContact SG-CB 3.31Å; C171-C185 CovalentContact SG-SG 2.05Å; C171-C185 PolarHBondContact SG-SG 3.34Å; C185-F247 PolarHBondContact N-O 2.84Å; C185-F247 WeakPolarHBondContact O-CD2 2.8Å; C185-F247 PolarHBondContact O-N 2.69Å; C185-L249 HydrophobicContact CB-CD1 4.15Å
186	I	97.7	Very high	96.2	Very high	33 Å²	33	29.2 Å²	29.2	17%	0.169	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	154.9	-174.2	68.7	176.8	0	0	0	111.7	Y91 N135 Q188 E244 V245 R246	Y91-I186 PolarHBondContact OH-O 2.81Å; N135-I186 PolarHBondContact ND2-O 3.22Å; I186-Q188 HydrophobicContact CD1-CG 4.29Å; I186-E244 HydrophobicContact CB-CG 4.06Å; I186-E244 HydrophobicContact CG2-CG 4.47Å; I186-V245 WeakPolarHBondContact CA-O 3.43Å; I186-R246 HydrophobicContact CG2-CG 3.99Å
187	M	98.3	Very high	96.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119	167.6	177.4	-167	-67.7	0	0	108	I76 V93 I95 F133 L167 L169 L189 E244 V245 F247	I76-M187 HydrophobicContact CD1-SD 4.03Å; V93-M187 HydrophobicContact CG2-CE 3.74Å; I95-M187 HydrophobicContact CD1-CE 4.42Å; I95-M187 HydrophobicContact CD1-SD 4.35Å; I95-M187 HydrophobicContact CG2-CE 4.21Å; F133-M187 HydrophobicContact CD1-CG 3.89Å; F133-M187 HydrophobicContact CD1-SD 4.39Å; F133-M187 HydrophobicContact CE1-CG 3.97Å; F133-M187 HydrophobicContact CE1-SD 3.87Å; L167-M187 HydrophobicContact CD1-CE 4.49Å; L169-M187 HydrophobicContact CD1-CB 3.92Å; L169-M187 HydrophobicContact CD1-CE 3.55Å; L169-M187 HydrophobicContact CD1-CG 3.74Å; L169-M187 HydrophobicContact CD1-SD 4.44Å; M187-L189 HydrophobicContact CG-CD1 3.91Å; M187-L189 HydrophobicContact SD-CD1 4.1Å; M187-E244 WeakPolarHBondContact O-CA 3.13Å; M187-V245 HydrophobicContact CB-CG1 3.76Å; M187-V245 HydrophobicContact CG-CG1 4.45Å; M187-V245 PolarHBondContact N-O 2.94Å; M187-V245 PolarHBondContact O-N 2.95Å; M187-V245 HydrophobicContact SD-CG1 4.32Å; M187-F247 HydrophobicContact CB-CE2 4.12Å; M187-F247 HydrophobicContact CE-CE2 4.2Å; M187-F247 HydrophobicContact CE-CZ 4.48Å
188	Q	98.2	Very high	96.6	Very high	23 Å²	23	31.2 Å²	31.2	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.8	-178.2	-70.3	178.7	-15.3	0	0	110.1	F133 A134 N135 I186 E244	F133-Q188 VanDerWaalsContact CA-O 3.27Å; F133-Q188 WeakPolarHBondContact CA-O 3.5Å; A134-Q188 HydrophobicContact CB-CB 3.91Å; A134-Q188 PolarHBondContact N-O 2.76Å; A134-Q188 VanDerWaalsContact N-O 3.1Å; N135-Q188 PolarHBondContact OD1-N 3.23Å; N135-Q188 VanDerWaalsContact OD1-N 3.13Å; I186-Q188 HydrophobicContact CD1-CG 4.29Å; Q188-E244 HydrophobicContact CG-CB 4.16Å; Q188-E244 HydrophobicContact CG-CG 3.95Å; Q188-E244 VanDerWaalsContact CG-OE2 3.32Å; Q188-E244 WeakPolarHBondContact CG-OE2 3.19Å; Q188-E244 PolarHBondContact NE2-OE2 3.25Å
189	L	98.4	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.8	176	-65.4	73.4	0	0	0	107.7	L97 L131 F133 M187 W203 C242 I243	L97-L189 HydrophobicContact CD1-CD2 3.71Å; L131-L189 HydrophobicContact CD1-CB 4.15Å; L131-L189 HydrophobicContact CD1-CD2 3.87Å; L131-L189 HydrophobicContact CD1-CG 4.45Å; L131-L189 HydrophobicContact CD2-CB 4.18Å; L131-L189 HydrophobicContact CD2-CD2 4.19Å; L131-L189 HydrophobicContact CD2-CG 4.18Å; L131-L189 HydrophobicContact CG-CB 4.23Å; F133-L189 HydrophobicContact CD1-CD1 4.37Å; F133-L189 HydrophobicContact CD1-CG 4.14Å; F133-L189 HydrophobicContact CE1-CD1 4.03Å; F133-L189 HydrophobicContact CE1-CD2 4.28Å; F133-L189 HydrophobicContact CE1-CG 3.72Å; F133-L189 HydrophobicContact CZ-CG 4.44Å; M187-L189 HydrophobicContact CG-CD1 3.91Å; M187-L189 HydrophobicContact SD-CD1 4.1Å; L189-W203 HydrophobicContact CD1-CH2 3.98Å; L189-W203 HydrophobicContact CD1-CZ2 4.37Å; L189-W203 HydrophobicContact CD2-CH2 4.48Å; L189-C242 VanDerWaalsContact O-CA 3.28Å; L189-C242 WeakPolarHBondContact O-CA 3.31Å; L189-I243 HydrophobicContact CB-CG1 3.95Å; L189-I243 PolarHBondContact N-O 2.88Å; L189-I243 PolarHBondContact O-N 2.85Å
190	E	98.1	Very high	96.9	Very high	3 Å²	3	33 Å²	33	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.5	-170.1	-173.1	174.1	156	0	0	111.1	L131 F132 A134 F201 K233 Y235 T241 C242	L131-E190 WeakPolarHBondContact CA-O 3.29Å; F132-E190 HydrophobicContact CD1-CB 4.25Å; F132-E190 WeakPolarHBondContact CD1-O 3.46Å; F132-E190 HydrophobicContact CE1-CB 3.65Å; F132-E190 HydrophobicContact CE1-CG 3.7Å; F132-E190 HydrophobicContact CZ-CB 3.92Å; F132-E190 HydrophobicContact CZ-CG 3.94Å; F132-E190 PolarHBondContact N-O 2.8Å; F132-E190 PolarHBondContact O-N 2.89Å; A134-E190 HydrophobicContact CB-CB 4.38Å; A134-E190 WeakPolarHBondContact CB-OE2 3.45Å; E190-F201 VanDerWaalsContact C-CE2 3.47Å; E190-K233 WeakPolarHBondContact OE1-CG 3.44Å; E190-K233 VanDerWaalsContact OE2-CG 3.26Å; E190-K233 WeakPolarHBondContact OE2-CG 3.48Å; E190-Y235 WeakPolarHBondContact OE1-CE2 3.41Å; E190-Y235 PolarHBondContact OE1-OH 3.35Å; E190-T241 WeakPolarHBondContact CA-O 3.37Å; E190-T241 WeakPolarHBondContact CG-O 3.08Å; E190-C242 HydrophobicContact CB-CB 4.28Å; E190-C242 HydrophobicContact CG-CB 4.16Å
191	S	98.1	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132	171.2	168.1	0	0	0	0	110	D130 Y194 F240 T241	D130-S191 PolarHBondContact OD1-OG 2.97Å; S191-Y194 PolarHBondContact OG-N 3.43Å; S191-Y194 PolarHBondContact OG-O 3.18Å; S191-F240 WeakPolarHBondContact O-CD1 3.49Å; S191-T241 PolarHBondContact N-O 3.19Å
192	F	96.4	Very high	97.4	Very high	151 Å²	151	35.7 Å²	35.7	66%	0.662	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	-49	-177.1	-169.2	-91.8	0	0	0	113	D130 F132 F240	D130-F192 PolarHBondContact OD2-N 2.86Å; F132-F192 HydrophobicContact CD1-CB 3.66Å; F132-F192 HydrophobicContact CD1-CD2 4.06Å; F132-F192 HydrophobicContact CD1-CG 4.38Å; F132-F192 HydrophobicContact CE1-CB 3.84Å; F132-F192 AromaticContact CE1-CD2 3.89Å; F132-F192 HydrophobicContact CE1-CD2 3.89Å; F132-F192 HydrophobicContact CE1-CG 4.36Å; F132-F192 HydrophobicContact CE2-CD2 4.47Å; F132-F192 HydrophobicContact CG-CD2 4.44Å; F132-F192 HydrophobicContact CZ-CD2 4.11Å; F192-F240 VanDerWaalsContact O-CE1 3.29Å; F192-F240 WeakPolarHBondContact O-CE1 3.32Å
193	G	95.4	Very high	97.5	Very high	52 Å²	52	35.9 Å²	35.9	54%	0.536	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-26.1	-170.4	0	0	0	0	0	114.3	D130	D130-G193 WeakPolarHBondContact OD2-CA 3.36Å; D130-G193 PolarHBondContact OD2-N 2.04Å
194	Y	97.6	Very high	97.6	Very high	56 Å²	56	37.5 Å²	37.5	22%	0.22	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.3	-180	-63.2	-89	0	0	0	112	R62 W127 D130 S191 D198 L199 F240	R62-Y194 HydrophobicContact CB-CE1 4.2Å; W127-Y194 HydrophobicContact CZ2-CE2 4.42Å; W127-Y194 AromaticContact NE1-CZ 3.73Å; W127-Y194 PolarHBondContact NE1-OH 3.15Å; D130-Y194 VanDerWaalsContact OD1-CD2 3.29Å; D130-Y194 WeakPolarHBondContact OD1-CD2 3.36Å; D130-Y194 WeakPolarHBondContact OD2-CD2 3.44Å; S191-Y194 PolarHBondContact OG-N 3.43Å; S191-Y194 PolarHBondContact OG-O 3.18Å; Y194-D198 HydrophobicContact CD1-CB 3.9Å; Y194-L199 HydrophobicContact CD2-CD2 4.17Å; Y194-L199 HydrophobicContact CG-CB 4.26Å; Y194-L199 HydrophobicContact CG-CD2 4.32Å; Y194-F240 VanDerWaalsContact O-CD1 3.3Å; Y194-F240 WeakPolarHBondContact O-CD1 3.25Å
195	T	97.9	Very high	97.5	Very high	34 Å²	34	43.3 Å²	43.3	21%	0.209	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	167.5	173.1	70.6	0	0	0	0	111.6	N197 D198 L199 K239 F240	T195-N197 PolarHBondContact O-N 2.75Å; T195-D198 PolarHBondContact O-N 3.21Å; T195-L199 PolarHBondContact O-N 3.47Å; T195-K239 CarbonylContact C-O 3.26Å; T195-K239 WeakPolarHBondContact CA-O 3.06Å; T195-K239 WeakPolarHBondContact CB-O 3.24Å; T195-F240 HydrophobicContact CG2-CE1 4.32Å; T195-F240 HydrophobicContact CG2-CZ 4.27Å
196	M	97.3	Very high	97.3	Very high	43 Å²	43	50.8 Å²	50.8	21%	0.212	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-21.8	175.8	-72.9	-70.4	-62.7	0	0	114.5	D198 I200 T232 K239 T241	M196-D198 VanDerWaalsContact C-N 3.29Å; M196-I200 HydrophobicContact CE-CG1 4.25Å; M196-T232 HydrophobicContact CG-CG2 4.4Å; M196-T232 HydrophobicContact SD-CG2 4.3Å; M196-K239 HydrophobicContact CG-CB 4.35Å; M196-K239 HydrophobicContact CG-CD 4.17Å; M196-K239 HydrophobicContact CG-CG 3.85Å; M196-K239 PolarHBondContact N-O 3.22Å; M196-T241 WeakPolarHBondContact SD-CA 3.26Å; M196-T241 WeakPolarHBondContact SD-CB 3.27Å; M196-T241 PolarHBondContact SD-N 2.89Å
197	N	97.1	Very high	97.1	Very high	127 Å²	127	52.3 Å²	52.3	68%	0.679	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.7	178	-63.6	-27.7	0	0	0	112.6	T195	T195-N197 PolarHBondContact O-N 2.75Å
198	D	97.6	Very high	97	Very high	52 Å²	52	53.2 Å²	53.2	28%	0.278	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-30	-175.9	-71.7	-55.8	0	0	0	113.4	R62 P69 V70 Y194 T195 M196	R62-D198 IonicContact CZ-OD1 2.72Å; R62-D198 VanDerWaalsContact CZ-OD1 3.25Å; R62-D198 IonicContact NE-OD1 2.8Å; R62-D198 PolarHBondContact NE-OD1 2.63Å; R62-D198 IonicContact NH2-OD1 3.83Å; R62-D198 PolarHBondContact NH2-OD1 2.87Å; P69-D198 WeakPolarHBondContact CA-O 3.45Å; V70-D198 PolarHBondContact N-O 2.99Å; Y194-D198 HydrophobicContact CD1-CB 3.9Å; T195-D198 PolarHBondContact O-N 3.21Å; M196-D198 VanDerWaalsContact C-N 3.29Å
199	L	98.2	Very high	96.9	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	131.3	-175.1	-168.5	68.4	0	0	0	111	V70 V72 W127 P129 Y194 T195 F201 T241	V70-L199 HydrophobicContact CB-CD1 3.97Å; V70-L199 HydrophobicContact CG1-CD1 4.4Å; V72-L199 HydrophobicContact CG2-CD1 3.54Å; W127-L199 HydrophobicContact CH2-CD1 3.86Å; W127-L199 HydrophobicContact CZ2-CD1 4.35Å; P129-L199 HydrophobicContact CB-CD2 4.38Å; Y194-L199 HydrophobicContact CD2-CD2 4.17Å; Y194-L199 HydrophobicContact CG-CB 4.26Å; Y194-L199 HydrophobicContact CG-CD2 4.32Å; T195-L199 PolarHBondContact O-N 3.47Å; L199-F201 HydrophobicContact CD1-CE1 4.38Å; L199-F201 HydrophobicContact CD2-CE1 3.62Å; L199-F201 HydrophobicContact CD2-CZ 3.94Å; L199-F201 HydrophobicContact CG-CD1 4.33Å; L199-F201 HydrophobicContact CG-CE1 3.86Å; L199-T241 WeakPolarHBondContact O-CG2 3.07Å
200	I	98.4	Very high	96.8	Very high	37 Å²	37	55.2 Å²	55.2	19%	0.19	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.4	176.9	-62	176.5	0	0	0	108.8	P69 V70 V72 M196 E202	P69-I200 HydrophobicContact CB-CD1 3.99Å; P69-I200 HydrophobicContact CB-CG1 3.95Å; P69-I200 HydrophobicContact CG-CD1 3.58Å; P69-I200 HydrophobicContact CG-CG1 4.13Å; V70-I200 PolarHBondContact O-N 3.04Å; V72-I200 PolarHBondContact N-O 2.8Å; M196-I200 HydrophobicContact CE-CG1 4.25Å; I200-E202 HydrophobicContact CG2-CG 4.11Å
201	F	98.6	Very high	96.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.6	174.7	-67.5	-15.8	0	0	0	110.2	V72 P129 L131 E190 L199 T241 I243	V72-F201 HydrophobicContact CB-CD1 3.85Å; V72-F201 HydrophobicContact CB-CE1 4.09Å; V72-F201 HydrophobicContact CG1-CD1 4.46Å; V72-F201 HydrophobicContact CG1-CE1 4.46Å; V72-F201 HydrophobicContact CG2-CD1 4.31Å; V72-F201 HydrophobicContact CG2-CE1 4.19Å; V72-F201 WeakPolarHBondContact O-CA 3.38Å; P129-F201 HydrophobicContact CB-CE1 4.27Å; L131-F201 HydrophobicContact CB-CE2 4.14Å; L131-F201 HydrophobicContact CB-CZ 3.88Å; L131-F201 HydrophobicContact CD1-CD2 4.49Å; L131-F201 HydrophobicContact CD1-CE2 3.95Å; L131-F201 HydrophobicContact CD1-CZ 4.08Å; L131-F201 HydrophobicContact CG-CE2 3.87Å; L131-F201 HydrophobicContact CG-CZ 4.08Å; E190-F201 VanDerWaalsContact C-CE2 3.47Å; L199-F201 HydrophobicContact CD1-CE1 4.38Å; L199-F201 HydrophobicContact CD2-CE1 3.62Å; L199-F201 HydrophobicContact CD2-CZ 3.94Å; L199-F201 HydrophobicContact CG-CD1 4.33Å; L199-F201 HydrophobicContact CG-CE1 3.86Å; F201-T241 HydrophobicContact CB-CG2 4.14Å; F201-T241 HydrophobicContact CD1-CG2 4Å; F201-T241 HydrophobicContact CD2-CG2 3.76Å; F201-T241 HydrophobicContact CE1-CG2 4.4Å; F201-T241 HydrophobicContact CE2-CG2 4.17Å; F201-T241 HydrophobicContact CG-CG2 3.67Å; F201-T241 HydrophobicContact CZ-CG2 4.48Å; F201-T241 PolarHBondContact N-OG1 3.3Å; F201-I243 HydrophobicContact CB-CD1 4.06Å; F201-I243 HydrophobicContact CB-CG1 4.16Å; F201-I243 HydrophobicContact CB-CG2 4.06Å; F201-I243 VanDerWaalsContact O-CG2 3.25Å; F201-I243 WeakPolarHBondContact O-CG2 3.3Å
202	E	98.1	Very high	96.7	Very high	71 Å²	71	58.2 Å²	58.2	33%	0.332	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.1	178.4	-65.7	-178.2	159.9	0	0	110	V72 T73 C74 I200	V72-E202 PolarHBondContact O-N 2.96Å; T73-E202 CarbonylContact C-O 3.51Å; T73-E202 WeakPolarHBondContact CA-O 3.42Å; C74-E202 PolarHBondContact N-O 3.05Å; I200-E202 HydrophobicContact CG2-CG 4.11Å
203	W	98	Very high	96.6	Very high	23 Å²	23	60.5 Å²	60.5	9%	0.087	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.3	169.7	-73	117.2	0	0	0	109.9	C74 I76 L189 P208 L228 I243 E244 V245	C74-W203 HydrophobicContact CB-CE3 4.44Å; C74-W203 HydrophobicContact CB-CZ3 4.46Å; I76-W203 HydrophobicContact CG2-CZ3 4.46Å; L189-W203 HydrophobicContact CD1-CH2 3.98Å; L189-W203 HydrophobicContact CD1-CZ2 4.37Å; L189-W203 HydrophobicContact CD2-CH2 4.48Å; W203-P208 HydrophobicContact CB-CB 4.03Å; W203-P208 HydrophobicContact CD2-CB 4.36Å; W203-P208 HydrophobicContact CE3-CB 3.9Å; W203-P208 HydrophobicContact CG-CB 4.45Å; W203-L228 HydrophobicContact CB-CD1 4.48Å; W203-L228 HydrophobicContact CD2-CD2 4.06Å; W203-L228 HydrophobicContact CG-CB 4.43Å; W203-L228 HydrophobicContact CG-CD1 4.37Å; W203-L228 HydrophobicContact CG-CD2 4.25Å; W203-L228 HydrophobicContact CZ2-CD2 4.38Å; W203-I243 HydrophobicContact CD2-CD1 3.87Å; W203-I243 HydrophobicContact CE3-CD1 4.12Å; W203-I243 HydrophobicContact CG-CD1 4.36Å; W203-I243 HydrophobicContact CH2-CD1 4.25Å; W203-I243 HydrophobicContact CZ2-CB 4.23Å; W203-I243 HydrophobicContact CZ2-CD1 4.01Å; W203-I243 HydrophobicContact CZ2-CG1 4.02Å; W203-I243 HydrophobicContact CZ3-CD1 4.31Å; W203-E244 PolarHBondContact NE1-O 3.13Å; W203-V245 HydrophobicContact CH2-CB 4.24Å; W203-V245 HydrophobicContact CH2-CG1 4.19Å; W203-V245 HydrophobicContact CZ2-CB 3.94Å; W203-V245 HydrophobicContact CZ2-CG1 4.24Å
204	Q	96.8	Very high	96.4	Very high	40 Å²	40	61.6 Å²	61.6	19%	0.187	34%	0.34	C	S	.	.			trans	-64.8	134.6	170.1	-169.8	172.4	-36.4	0	0	110.5	T73 C74 N75 E206 P208	T73-Q204 VanDerWaalsContact CG2-CA 3.42Å; T73-Q204 HydrophobicContact CG2-CB 3.73Å; T73-Q204 HydrophobicContact CG2-CG 4.18Å; C74-Q204 PolarHBondContact O-N 2.85Å; N75-Q204 HydrophobicContact CB-CB 4.14Å; N75-Q204 PolarHBondContact ND2-OE1 2.92Å; Q204-E206 PolarHBondContact O-N 2.91Å; Q204-P208 VanDerWaalsContact O-CB 3.24Å; Q204-P208 WeakPolarHBondContact O-CB 3.28Å; Q204-P208 VanDerWaalsContact O-CD 3.27Å; Q204-P208 WeakPolarHBondContact O-CD 3.42Å; Q204-P208 WeakPolarHBondContact O-CG 3.34Å
205	D	93.7	Very high	96.3	Very high	164 Å²	164	61.1 Å²	61.1	88%	0.877	34%	0.341	S	S	*	.	S	Bend	trans	-60.4	-45.4	-178.9	-60.7	-44.3	0	0	0	112.2
206	E	93.8	Very high	96.1	Very high	157 Å²	157	65.1 Å²	65.1	73%	0.734	37%	0.366	S	S	*	.	S	Bend	trans	-90.6	117	178.8	-67.5	-175.9	179	0	0	111.2	Q204	Q204-E206 PolarHBondContact O-N 2.91Å
207	A	93.3	Very high	96	Very high	65 Å²	65	63.8 Å²	63.8	54%	0.537	36%	0.359	S	S	.	.			trans	45	60.1	173.7	0	0	0	0	0	113.5	V209 Q210	A207-V209 PolarHBondContact O-N 2.71Å; A207-V209 VanDerWaalsContact O-N 3.15Å; A207-Q210 HydrophobicContact CB-CG 4.34Å; A207-Q210 PolarHBondContact O-NE2 3.46Å
208	P	95.7	Very high	95.9	Very high	18 Å²	18	63.5 Å²	63.5	12%	0.117	36%	0.364	C	S	.	.	S	Bend	trans	-61.5	-25.5	-177.5	20.3	-30.1	0	0	0	113.8	N75 I76 W203 Q204 L228	N75-P208 CarbonylContact C-O 3.57Å; N75-P208 VanDerWaalsContact CA-O 3.25Å; N75-P208 WeakPolarHBondContact CA-O 3.5Å; N75-P208 WeakPolarHBondContact CB-O 3.38Å; I76-P208 PolarHBondContact N-O 3.32Å; W203-P208 HydrophobicContact CB-CB 4.03Å; W203-P208 HydrophobicContact CD2-CB 4.36Å; W203-P208 HydrophobicContact CE3-CB 3.9Å; W203-P208 HydrophobicContact CG-CB 4.45Å; Q204-P208 VanDerWaalsContact O-CB 3.24Å; Q204-P208 WeakPolarHBondContact O-CB 3.28Å; Q204-P208 VanDerWaalsContact O-CD 3.27Å; Q204-P208 WeakPolarHBondContact O-CD 3.42Å; Q204-P208 WeakPolarHBondContact O-CG 3.34Å; P208-L228 HydrophobicContact CB-CD1 4.11Å; P208-L228 HydrophobicContact CG-CD1 3.21Å; P208-L228 HydrophobicContact CG-CD2 4.43Å; P208-L228 HydrophobicContact CG-CG 4.42Å
209	V	97.3	Very high	95.7	Very high	20 Å²	20	65.2 Å²	65.2	12%	0.121	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	106.9	179.8	-177.5	0	0	0	0	108.5	I76 I78 A207 L228 V245 F247	I76-V209 HydrophobicContact CD1-CG1 4.12Å; I76-V209 HydrophobicContact CD1-CG2 4.11Å; I76-V209 HydrophobicContact CG1-CB 4.24Å; I76-V209 HydrophobicContact CG1-CG1 4.07Å; I76-V209 HydrophobicContact CG1-CG2 3.94Å; I78-V209 HydrophobicContact CD1-CG1 4.1Å; A207-V209 PolarHBondContact O-N 2.71Å; A207-V209 VanDerWaalsContact O-N 3.15Å; V209-L228 HydrophobicContact CG2-CD2 3.83Å; V209-V245 HydrophobicContact CG2-CB 4.37Å; V209-V245 HydrophobicContact CG2-CG2 3.79Å; V209-F247 HydrophobicContact CG1-CE1 4.09Å
210	Q	96.6	Very high	95.6	Very high	45 Å²	45	65.4 Å²	65.4	21%	0.21	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.6	175.2	-51.8	113.8	38.7	0	0	109.6	I76 F77 I78 A207	I76-Q210 PolarHBondContact O-N 3.25Å; F77-Q210 CarbonylContact C-O 3.53Å; F77-Q210 WeakPolarHBondContact CA-O 3.42Å; F77-Q210 HydrophobicContact CD2-CB 3.61Å; F77-Q210 HydrophobicContact CE2-CB 4.29Å; F77-Q210 HydrophobicContact CG-CB 4.45Å; I78-Q210 PolarHBondContact N-O 2.78Å; A207-Q210 HydrophobicContact CB-CG 4.34Å; A207-Q210 PolarHBondContact O-NE2 3.46Å
211	V	96.9	Very high	95.5	Very high	45 Å²	45	67.7 Å²	67.7	27%	0.273	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.7	179	-175.3	0	0	0	0	108.3	I78 L215 L222	I78-V211 HydrophobicContact CB-CG2 4.46Å; I78-V211 HydrophobicContact CD1-CG2 4.27Å; V211-L215 HydrophobicContact CG1-CB 3.94Å; V211-L215 HydrophobicContact CG1-CD2 3.39Å; V211-L215 HydrophobicContact CG1-CG 4.29Å; V211-L222 HydrophobicContact CG1-CD2 4.44Å; V211-L222 HydrophobicContact CG2-CD2 4.49Å
212	A	96.3	Very high	95.3	Very high	21 Å²	21	69.6 Å²	69.6	17%	0.174	39%	0.394	C	S	.	.			trans	-57.8	138.3	175.9	0	0	0	0	0	111.7	F77 I78 G214 L215	F77-A212 HydrophobicContact CE1-CB 4.1Å; F77-A212 HydrophobicContact CZ-CB 3.87Å; I78-A212 WeakPolarHBondContact O-CB 3.42Å; I78-A212 PolarHBondContact O-N 2.9Å; A212-G214 PolarHBondContact O-N 2.84Å; A212-L215 VanDerWaalsContact O-CB 3.31Å; A212-L215 WeakPolarHBondContact O-CB 3.24Å; A212-L215 PolarHBondContact O-N 2.78Å
213	E	93.8	Very high	95.1	Very high	200 Å²	200	69.4 Å²	69.4	94%	0.935	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	135.2	176.7	-67.1	-175.8	-178.7	0	0	110.8	L215	E213-L215 VanDerWaalsContact C-N 3.27Å; E213-L215 PolarHBondContact O-N 2.91Å
214	G	92.2	Very high	94.7	Very high	74 Å²	74	76.9 Å²	76.9	76%	0.763	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	12	-178.3	0	0	0	0	0	114.9	A212 T216	A212-G214 PolarHBondContact O-N 2.84Å; G214-T216 PolarHBondContact O-N 2.71Å
215	L	95.1	Very high	94.3	Very high	47 Å²	47	79.9 Å²	79.9	25%	0.246	44%	0.442	C	S	.	.			trans	-65.1	115.9	172.5	-176.9	70.2	0	0	0	110.5	I78 F81 V211 A212 E213	I78-L215 HydrophobicContact CG2-CD2 3.98Å; F81-L215 HydrophobicContact CB-CD2 3.9Å; V211-L215 HydrophobicContact CG1-CB 3.94Å; V211-L215 HydrophobicContact CG1-CD2 3.39Å; V211-L215 HydrophobicContact CG1-CG 4.29Å; A212-L215 VanDerWaalsContact O-CB 3.31Å; A212-L215 WeakPolarHBondContact O-CB 3.24Å; A212-L215 PolarHBondContact O-N 2.78Å; E213-L215 VanDerWaalsContact C-N 3.27Å; E213-L215 PolarHBondContact O-N 2.91Å
216	T	94.2	Very high	94.2	Very high	118 Å²	118	74.8 Å²	74.8	72%	0.724	41%	0.412	S	S	*	.			trans	-125.8	145.1	176.2	59.5	0	0	0	0	110.7	G214	G214-T216 PolarHBondContact O-N 2.71Å
217	L	95.5	Very high	94.2	Very high	15 Å²	15	68.6 Å²	68.6	8%	0.079	38%	0.383	C	S	.	.			trans	-107	141.8	172.1	-47.4	93.1	0	0	0	110.3	F81 I84 Q219 F220 L222 L249	F81-L217 HydrophobicContact CB-CD2 4.38Å; F81-L217 HydrophobicContact CD1-CD2 3.44Å; F81-L217 VanDerWaalsContact CD1-CD2 3.44Å; F81-L217 HydrophobicContact CE1-CD2 4.06Å; F81-L217 HydrophobicContact CG-CD2 4.2Å; I84-L217 HydrophobicContact CD1-CD2 3.77Å; L217-Q219 PolarHBondContact O-N 3.1Å; L217-F220 HydrophobicContact CB-CB 4.4Å; L217-F220 WeakPolarHBondContact CB-O 3.45Å; L217-F220 VanDerWaalsContact O-O 3.12Å; L217-L222 HydrophobicContact CD1-CB 3.71Å; L217-L249 HydrophobicContact CD2-CD2 4.44Å
218	P	93.4	Very high	94.3	Very high	121 Å²	121	68.8 Å²	68.8	79%	0.786	38%	0.375	S	S	*	.	S	Bend	trans	-69.4	-30.1	-177.1	-23.2	33.8	0	0	0	115.3	Q252	P218-Q252 PolarHBondContact O-OE1 3.25Å
219	Q	93.7	Very high	94.3	Very high	88 Å²	88	73.4 Å²	73.4	41%	0.411	39%	0.39	S	S	.	.	S	Bend	trans	-111.3	-15.1	-173.7	-66.1	-173.3	60.9	0	0	113.3	L217 Q252	L217-Q219 PolarHBondContact O-N 3.1Å; Q219-Q252 PolarHBondContact O-N 3.14Å
220	F	96.3	Very high	94.3	Very high	4 Å²	4	79.6 Å²	79.6	2%	0.018	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.2	-171.9	-65.5	-90.3	0	0	0	110.8	I84 Q183 L217 L249 E250 R251	I84-F220 HydrophobicContact CB-CD2 4.47Å; I84-F220 HydrophobicContact CB-CE2 4.04Å; I84-F220 HydrophobicContact CD1-CB 4.41Å; I84-F220 HydrophobicContact CD1-CD2 3.43Å; I84-F220 VanDerWaalsContact CD1-CD2 3.43Å; I84-F220 HydrophobicContact CD1-CE2 3.8Å; I84-F220 HydrophobicContact CD1-CG 4.02Å; I84-F220 HydrophobicContact CG2-CE2 3.79Å; I84-F220 HydrophobicContact CG2-CZ 4.09Å; Q183-F220 HydrophobicContact CG-CE1 4.44Å; L217-F220 HydrophobicContact CB-CB 4.4Å; L217-F220 WeakPolarHBondContact CB-O 3.45Å; L217-F220 VanDerWaalsContact O-O 3.12Å; F220-L249 HydrophobicContact CB-CB 4.42Å; F220-L249 HydrophobicContact CB-CD2 4.47Å; F220-L249 HydrophobicContact CD1-CB 3.94Å; F220-L249 HydrophobicContact CG-CB 4.39Å; F220-E250 CarbonylContact C-O 3.28Å; F220-E250 VanDerWaalsContact CA-O 3.25Å; F220-E250 WeakPolarHBondContact CA-O 3.15Å; F220-R251 HydrophobicContact CD1-CB 4.12Å; F220-R251 HydrophobicContact CE1-CB 3.97Å; F220-R251 HydrophobicContact CE1-CG 4.22Å; F220-R251 VanDerWaalsContact CZ-CZ 3.42Å; F220-R251 VanDerWaalsContact CZ-NH1 3.3Å
221	L	95.6	Very high	94.3	Very high	86 Å²	86	78.4 Å²	78.4	45%	0.45	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.3	165.1	-66.5	173	0	0	0	107.5	E250 Q252	L221-E250 HydrophobicContact CB-CB 4.42Å; L221-E250 PolarHBondContact N-O 2.83Å; L221-E250 PolarHBondContact O-N 2.86Å; L221-Q252 HydrophobicContact CD1-CG 4.4Å; L221-Q252 VanDerWaalsContact CD2-NE2 3.32Å; L221-Q252 HydrophobicContact CG-CG 3.95Å
222	L	95.4	Very high	94.3	Very high	40 Å²	40	78.4 Å²	78.4	21%	0.209	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	119.6	170.8	178.2	64.6	0	0	0	108.2	V211 L217 F247 L249	V211-L222 HydrophobicContact CG1-CD2 4.44Å; V211-L222 HydrophobicContact CG2-CD2 4.49Å; L217-L222 HydrophobicContact CD1-CB 3.71Å; L222-F247 HydrophobicContact CD1-CB 4.02Å; L222-F247 HydrophobicContact CD1-CD1 4.28Å; L222-L249 HydrophobicContact CB-CD2 4.36Å; L222-L249 HydrophobicContact CD1-CD2 3.83Å
223	K	93.6	Very high	94.3	Very high	67 Å²	67	80 Å²	80	29%	0.291	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	150.9	175.8	-64	-65.7	-160.5	-178.9	0	111.1	K226 H248 E250	K223-K226 WeakPolarHBondContact O-CE 3.45Å; K223-H248 HydrophobicContact CB-CB 4Å; K223-H248 HydrophobicContact CG-CB 3.82Å; K223-H248 PolarHBondContact N-O 3.38Å; K223-E250 WeakPolarHBondContact CE-OE2 3.49Å; K223-E250 IonicContact NZ-OE2 3.51Å; K223-E250 PolarHBondContact NZ-OE2 2.85Å
224	E	89.9	Confident	94.4	Very high	180 Å²	180	77 Å²	77	84%	0.841	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	-31.8	179.5	-71.6	-177.8	-175.9	0	0	112.8	K226	E224-K226 VanDerWaalsContact O-CD 3.24Å; E224-K226 WeakPolarHBondContact O-CD 3.2Å; E224-K226 WeakPolarHBondContact O-CE 3.33Å; E224-K226 PolarHBondContact O-NZ 3.25Å
225	E	88.6	Confident	94.6	Very high	103 Å²	103	78.8 Å²	78.8	48%	0.481	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.2	174.8	-172.3	166.8	-153.8	0	0	110.5	Q463	E225-Q463 PolarHBondContact OE2-NE2 3.27Å
226	K	91.3	Very high	94.7	Very high	57 Å²	57	84.4 Å²	84.4	25%	0.248	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.9	175	-64.2	94.5	-164.8	176.7	0	108.6	K223 E224 V245 F247	K223-K226 WeakPolarHBondContact O-CE 3.45Å; E224-K226 VanDerWaalsContact O-CD 3.24Å; E224-K226 WeakPolarHBondContact O-CD 3.2Å; E224-K226 WeakPolarHBondContact O-CE 3.33Å; E224-K226 PolarHBondContact O-NZ 3.25Å; K226-V245 HydrophobicContact CB-CG2 4.18Å; K226-F247 HydrophobicContact CG-CD1 4.18Å; K226-F247 HydrophobicContact CG-CE1 4.41Å
227	D	93.8	Very high	94.8	Very high	26 Å²	26	83.7 Å²	83.7	14%	0.139	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.5	175.5	-62.9	-11.7	0	0	0	110.4	R229 V245 R246 H248	D227-R229 IonicContact OD2-CZ 2.72Å; D227-R229 IonicContact OD2-NE 3.68Å; D227-R229 IonicContact OD2-NH2 3.73Å; D227-R229 PolarHBondContact OD2-NH2 2.88Å; D227-V245 CarbonylContact O-C 3.47Å; D227-V245 WeakPolarHBondContact O-CA 3.39Å; D227-R246 HydrophobicContact CB-CB 3.98Å; D227-R246 HydrophobicContact CB-CG 4.02Å; D227-R246 PolarHBondContact O-N 3.11Å; D227-H248 IonicContact OD1-NE2 2.63Å; D227-H248 IonicContact OD2-CE1 3.33Å; D227-H248 IonicContact OD2-NE2 3.99Å
228	L	95.8	Very high	94.9	Very high	70 Å²	70	84.2 Å²	84.2	37%	0.366	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.2	172	-56.5	171.4	0	0	0	108.1	W203 P208 V209 V245	W203-L228 HydrophobicContact CB-CD1 4.48Å; W203-L228 HydrophobicContact CD2-CD2 4.06Å; W203-L228 HydrophobicContact CG-CB 4.43Å; W203-L228 HydrophobicContact CG-CD1 4.37Å; W203-L228 HydrophobicContact CG-CD2 4.25Å; W203-L228 HydrophobicContact CZ2-CD2 4.38Å; P208-L228 HydrophobicContact CB-CD1 4.11Å; P208-L228 HydrophobicContact CG-CD1 3.21Å; P208-L228 HydrophobicContact CG-CD2 4.43Å; P208-L228 HydrophobicContact CG-CG 4.42Å; V209-L228 HydrophobicContact CG2-CD2 3.83Å; L228-V245 HydrophobicContact CD2-CB 4.03Å; L228-V245 HydrophobicContact CD2-CG2 4.01Å
229	R	94.8	Very high	95.1	Very high	114 Å²	114	83 Å²	83	43%	0.43	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.2	-178.1	-60.3	-172.1	-172.7	-160.3	2.2	110.5	D227 E244	D227-R229 IonicContact OD2-CZ 2.72Å; D227-R229 IonicContact OD2-NE 3.68Å; D227-R229 IonicContact OD2-NH2 3.73Å; D227-R229 PolarHBondContact OD2-NH2 2.88Å; R229-E244 PolarHBondContact N-O 2.89Å; R229-E244 PolarHBondContact O-N 2.93Å
230	Y	96.8	Very high	95.3	Very high	151 Å²	151	79.5 Å²	79.5	59%	0.592	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.5	167.8	-62.4	-81.3	0	0	0	109.5	I243	Y230-I243 HydrophobicContact CD1-CG2 3.75Å; Y230-I243 HydrophobicContact CE1-CG2 3.92Å
231	C	96.9	Very high	95.4	Very high	19 Å²	19	79.4 Å²	79.4	13%	0.128	38%	0.383	C	S	.	.			trans	-124.7	31	-176.2	50.3	0	0	0	0	112.6	K233 C242 I243 E244	C231-K233 WeakPolarHBondContact O-CD 3.46Å; C231-K233 WeakPolarHBondContact O-CE 3.29Å; C231-K233 PolarHBondContact O-N 2.87Å; C231-C242 VanDerWaalsContact C-CB 3.46Å; C231-C242 HydrophobicContact CB-CB 4.04Å; C231-C242 WeakPolarHBondContact CB-SG 3.17Å; C231-C242 PolarHBondContact N-O 3.34Å; C231-C242 VanDerWaalsContact O-CB 3.23Å; C231-C242 WeakPolarHBondContact O-CB 3.43Å; C231-C242 PolarHBondContact O-SG 2.89Å; C231-C242 WeakPolarHBondContact SG-CB 3.41Å; C231-C242 PolarHBondContact SG-O 3.09Å; C231-C242 CovalentContact SG-SG 2.04Å; C231-C242 PolarHBondContact SG-SG 3.17Å; C231-I243 PolarHBondContact SG-N 2.84Å; C231-I243 VanDerWaalsContact SG-N 3.35Å; C231-E244 HydrophobicContact CB-CB 4.12Å
232	T	97.4	Very high	95.5	Very high	46 Å²	46	75.3 Å²	75.3	28%	0.282	36%	0.361	S	S	.	.			trans	-42.9	123.2	-173.5	-53.5	0	0	0	0	113.1	M196 K239 F240	M196-T232 HydrophobicContact CG-CG2 4.4Å; M196-T232 HydrophobicContact SD-CG2 4.3Å; T232-K239 HydrophobicContact CG2-CD 4.07Å; T232-K239 HydrophobicContact CG2-CG 3.68Å; T232-F240 WeakPolarHBondContact CG2-O 3.26Å
233	K	95.8	Very high	95.7	Very high	55 Å²	55	73.4 Å²	73.4	24%	0.239	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	143.9	-176	-57.4	-64.2	-176.9	167.2	0	111.6	E190 C231 Y235 K239 F240 C242	E190-K233 WeakPolarHBondContact OE1-CG 3.44Å; E190-K233 VanDerWaalsContact OE2-CG 3.26Å; E190-K233 WeakPolarHBondContact OE2-CG 3.48Å; C231-K233 WeakPolarHBondContact O-CD 3.46Å; C231-K233 WeakPolarHBondContact O-CE 3.29Å; C231-K233 PolarHBondContact O-N 2.87Å; K233-Y235 HydrophobicContact CB-CD2 4.32Å; K233-Y235 HydrophobicContact CB-CE1 4.47Å; K233-Y235 HydrophobicContact CB-CE2 3.58Å; K233-Y235 HydrophobicContact CG-CE2 4.33Å; K233-K239 WeakPolarHBondContact O-CA 3.4Å; K233-F240 PolarHBondContact N-O 2.93Å; K233-F240 VanDerWaalsContact N-O 3.15Å; K233-F240 PolarHBondContact O-N 3.29Å; K233-C242 HydrophobicContact CG-CB 4.37Å
234	H	97.3	Very high	95.8	Very high	137 Å²	137	70.6 Å²	70.6	63%	0.634	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.2	177.4	-70.4	-102.1	0	0	0	108.5
235	Y	96.4	Very high	96.2	Very high	111 Å²	111	62 Å²	62	44%	0.435	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	171.2	172.8	-54.1	-68	0	0	0	110.1	E190 K233 T237 G238 F240	E190-Y235 WeakPolarHBondContact OE1-CE2 3.41Å; E190-Y235 PolarHBondContact OE1-OH 3.35Å; K233-Y235 HydrophobicContact CB-CD2 4.32Å; K233-Y235 HydrophobicContact CB-CE1 4.47Å; K233-Y235 HydrophobicContact CB-CE2 3.58Å; K233-Y235 HydrophobicContact CG-CE2 4.33Å; Y235-T237 PolarHBondContact O-N 2.93Å; Y235-G238 PolarHBondContact N-O 2.94Å; Y235-G238 PolarHBondContact O-N 3.24Å; Y235-F240 AromaticContact CD2-CD2 3.53Å; Y235-F240 HydrophobicContact CD2-CD2 3.53Å; Y235-F240 AromaticContact CD2-CE2 3.84Å; Y235-F240 HydrophobicContact CD2-CE2 3.84Å; Y235-F240 HydrophobicContact CD2-CG 4.39Å; Y235-F240 HydrophobicContact CE2-CD2 4.08Å
236	N	96.7	Very high	96.6	Very high	164 Å²	164	60.7 Å²	60.7	88%	0.877	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.8	172.1	59.8	-7.2	0	0	0	113
237	T	96.1	Very high	96.9	Very high	104 Å²	104	58 Å²	58	64%	0.638	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-15.8	177.9	50.4	0	0	0	0	113.8	Y235 F240	Y235-T237 PolarHBondContact O-N 2.93Å; T237-F240 WeakPolarHBondContact OG1-CE2 3.4Å
238	G	96.7	Very high	97	Very high	25 Å²	25	57.3 Å²	57.3	26%	0.258	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.6	-172.1	179.9	0	0	0	0	0	114.5	Y235 F240	Y235-G238 PolarHBondContact N-O 2.94Å; Y235-G238 PolarHBondContact O-N 3.24Å; G238-F240 WeakPolarHBondContact O-CD2 3.45Å; G238-F240 WeakPolarHBondContact O-CE2 3.41Å
239	K	97.9	Very high	97	Very high	97 Å²	97	54 Å²	54	42%	0.422	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.1	176.6	-171.6	-178.2	177.3	176.6	0	109.3	T195 M196 T232 K233	T195-K239 CarbonylContact C-O 3.26Å; T195-K239 WeakPolarHBondContact CA-O 3.06Å; T195-K239 WeakPolarHBondContact CB-O 3.24Å; M196-K239 HydrophobicContact CG-CB 4.35Å; M196-K239 HydrophobicContact CG-CD 4.17Å; M196-K239 HydrophobicContact CG-CG 3.85Å; M196-K239 PolarHBondContact N-O 3.22Å; T232-K239 HydrophobicContact CG2-CD 4.07Å; T232-K239 HydrophobicContact CG2-CG 3.68Å; K233-K239 WeakPolarHBondContact O-CA 3.4Å
240	F	98.3	Very high	97	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.057	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.2	-172.1	-65.8	-97.2	0	0	0	111.4	S191 F192 Y194 T195 T232 K233 Y235 T237 G238	S191-F240 WeakPolarHBondContact O-CD1 3.49Å; F192-F240 VanDerWaalsContact O-CE1 3.29Å; F192-F240 WeakPolarHBondContact O-CE1 3.32Å; Y194-F240 VanDerWaalsContact O-CD1 3.3Å; Y194-F240 WeakPolarHBondContact O-CD1 3.25Å; T195-F240 HydrophobicContact CG2-CE1 4.32Å; T195-F240 HydrophobicContact CG2-CZ 4.27Å; T232-F240 WeakPolarHBondContact CG2-O 3.26Å; K233-F240 PolarHBondContact N-O 2.93Å; K233-F240 VanDerWaalsContact N-O 3.15Å; K233-F240 PolarHBondContact O-N 3.29Å; Y235-F240 AromaticContact CD2-CD2 3.53Å; Y235-F240 HydrophobicContact CD2-CD2 3.53Å; Y235-F240 AromaticContact CD2-CE2 3.84Å; Y235-F240 HydrophobicContact CD2-CE2 3.84Å; Y235-F240 HydrophobicContact CD2-CG 4.39Å; Y235-F240 HydrophobicContact CE2-CD2 4.08Å; T237-F240 WeakPolarHBondContact OG1-CE2 3.4Å; G238-F240 WeakPolarHBondContact O-CD2 3.45Å; G238-F240 WeakPolarHBondContact O-CE2 3.41Å
241	T	98.3	Very high	96.9	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	137	178.6	-174.4	0	0	0	0	110.9	E190 S191 M196 L199 F201	E190-T241 WeakPolarHBondContact CA-O 3.37Å; E190-T241 WeakPolarHBondContact CG-O 3.08Å; S191-T241 PolarHBondContact N-O 3.19Å; M196-T241 WeakPolarHBondContact SD-CA 3.26Å; M196-T241 WeakPolarHBondContact SD-CB 3.27Å; M196-T241 PolarHBondContact SD-N 2.89Å; L199-T241 WeakPolarHBondContact O-CG2 3.07Å; F201-T241 HydrophobicContact CB-CG2 4.14Å; F201-T241 HydrophobicContact CD1-CG2 4Å; F201-T241 HydrophobicContact CD2-CG2 3.76Å; F201-T241 HydrophobicContact CE1-CG2 4.4Å; F201-T241 HydrophobicContact CE2-CG2 4.17Å; F201-T241 HydrophobicContact CG-CG2 3.67Å; F201-T241 HydrophobicContact CZ-CG2 4.48Å; F201-T241 PolarHBondContact N-OG1 3.3Å
242	C	98.3	Very high	96.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	130	178.7	179.2	0	0	0	0	109.1	L189 E190 C231 K233	L189-C242 VanDerWaalsContact O-CA 3.28Å; L189-C242 WeakPolarHBondContact O-CA 3.31Å; E190-C242 HydrophobicContact CB-CB 4.28Å; E190-C242 HydrophobicContact CG-CB 4.16Å; C231-C242 VanDerWaalsContact C-CB 3.46Å; C231-C242 HydrophobicContact CB-CB 4.04Å; C231-C242 WeakPolarHBondContact CB-SG 3.17Å; C231-C242 PolarHBondContact N-O 3.34Å; C231-C242 VanDerWaalsContact O-CB 3.23Å; C231-C242 WeakPolarHBondContact O-CB 3.43Å; C231-C242 PolarHBondContact O-SG 2.89Å; C231-C242 WeakPolarHBondContact SG-CB 3.41Å; C231-C242 PolarHBondContact SG-O 3.09Å; C231-C242 CovalentContact SG-SG 2.04Å; C231-C242 PolarHBondContact SG-SG 3.17Å; K233-C242 HydrophobicContact CG-CB 4.37Å
243	I	98.3	Very high	96.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143	171.8	58.5	175.7	0	0	0	109.7	C74 L189 F201 W203 Y230 C231	C74-I243 HydrophobicContact CB-CD1 3.78Å; L189-I243 HydrophobicContact CB-CG1 3.95Å; L189-I243 PolarHBondContact N-O 2.88Å; L189-I243 PolarHBondContact O-N 2.85Å; F201-I243 HydrophobicContact CB-CD1 4.06Å; F201-I243 HydrophobicContact CB-CG1 4.16Å; F201-I243 HydrophobicContact CB-CG2 4.06Å; F201-I243 VanDerWaalsContact O-CG2 3.25Å; F201-I243 WeakPolarHBondContact O-CG2 3.3Å; W203-I243 HydrophobicContact CD2-CD1 3.87Å; W203-I243 HydrophobicContact CE3-CD1 4.12Å; W203-I243 HydrophobicContact CG-CD1 4.36Å; W203-I243 HydrophobicContact CH2-CD1 4.25Å; W203-I243 HydrophobicContact CZ2-CB 4.23Å; W203-I243 HydrophobicContact CZ2-CD1 4.01Å; W203-I243 HydrophobicContact CZ2-CG1 4.02Å; W203-I243 HydrophobicContact CZ3-CD1 4.31Å; Y230-I243 HydrophobicContact CD1-CG2 3.75Å; Y230-I243 HydrophobicContact CE1-CG2 3.92Å; C231-I243 PolarHBondContact SG-N 2.84Å; C231-I243 VanDerWaalsContact SG-N 3.35Å
244	E	97.5	Very high	96.5	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.3	-175.5	-177.5	177.9	115	0	0	110.5	I186 M187 Q188 W203 R229 C231 R246	I186-E244 HydrophobicContact CB-CG 4.06Å; I186-E244 HydrophobicContact CG2-CG 4.47Å; M187-E244 WeakPolarHBondContact O-CA 3.13Å; Q188-E244 HydrophobicContact CG-CB 4.16Å; Q188-E244 HydrophobicContact CG-CG 3.95Å; Q188-E244 VanDerWaalsContact CG-OE2 3.32Å; Q188-E244 WeakPolarHBondContact CG-OE2 3.19Å; Q188-E244 PolarHBondContact NE2-OE2 3.25Å; W203-E244 PolarHBondContact NE1-O 3.13Å; R229-E244 PolarHBondContact N-O 2.89Å; R229-E244 PolarHBondContact O-N 2.93Å; C231-E244 HydrophobicContact CB-CB 4.12Å; E244-R246 IonicContact OE1-CZ 3.5Å; E244-R246 VanDerWaalsContact OE1-CZ 3.25Å; E244-R246 IonicContact OE1-NE 2.91Å; E244-R246 PolarHBondContact OE1-NE 3.02Å; E244-R246 IonicContact OE1-NH2 2.98Å; E244-R246 PolarHBondContact OE1-NH2 3.3Å
245	V	97.8	Very high	96.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.7	164.3	56.2	0	0	0	0	109.5	I76 I186 M187 W203 V209 K226 D227 L228 F247	I76-V245 HydrophobicContact CD1-CG1 4.08Å; I186-V245 WeakPolarHBondContact CA-O 3.43Å; M187-V245 HydrophobicContact CB-CG1 3.76Å; M187-V245 HydrophobicContact CG-CG1 4.45Å; M187-V245 PolarHBondContact N-O 2.94Å; M187-V245 PolarHBondContact O-N 2.95Å; M187-V245 HydrophobicContact SD-CG1 4.32Å; W203-V245 HydrophobicContact CH2-CB 4.24Å; W203-V245 HydrophobicContact CH2-CG1 4.19Å; W203-V245 HydrophobicContact CZ2-CB 3.94Å; W203-V245 HydrophobicContact CZ2-CG1 4.24Å; V209-V245 HydrophobicContact CG2-CB 4.37Å; V209-V245 HydrophobicContact CG2-CG2 3.79Å; K226-V245 HydrophobicContact CB-CG2 4.18Å; D227-V245 CarbonylContact O-C 3.47Å; D227-V245 WeakPolarHBondContact O-CA 3.39Å; L228-V245 HydrophobicContact CD2-CB 4.03Å; L228-V245 HydrophobicContact CD2-CG2 4.01Å; V245-F247 HydrophobicContact CB-CZ 4.41Å; V245-F247 HydrophobicContact CG1-CE1 4.47Å; V245-F247 HydrophobicContact CG1-CE2 3.85Å; V245-F247 HydrophobicContact CG1-CZ 3.64Å; V245-F247 HydrophobicContact CG2-CD1 4.41Å; V245-F247 HydrophobicContact CG2-CE1 3.81Å; V245-F247 HydrophobicContact CG2-CE2 4.41Å; V245-F247 HydrophobicContact CG2-CZ 3.82Å
246	R	97.3	Very high	96.4	Very high	74 Å²	74	38.8 Å²	38.8	28%	0.279	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.8	175.1	-48.9	-170.2	160.2	-150.2	-10.6	111.1	T184 I186 D227 E244	T184-R246 HydrophobicContact CG2-CB 3.86Å; T184-R246 HydrophobicContact CG2-CG 4.4Å; I186-R246 HydrophobicContact CG2-CG 3.99Å; D227-R246 HydrophobicContact CB-CB 3.98Å; D227-R246 HydrophobicContact CB-CG 4.02Å; D227-R246 PolarHBondContact O-N 3.11Å; E244-R246 IonicContact OE1-CZ 3.5Å; E244-R246 VanDerWaalsContact OE1-CZ 3.25Å; E244-R246 IonicContact OE1-NE 2.91Å; E244-R246 PolarHBondContact OE1-NE 3.02Å; E244-R246 IonicContact OE1-NH2 2.98Å; E244-R246 PolarHBondContact OE1-NH2 3.3Å
247	F	96.9	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.5	175.3	-55.6	-68.2	0	0	0	109.4	I76 I78 F81 Y91 T184 C185 M187 V209 L222 K226 V245	I76-F247 HydrophobicContact CD1-CZ 4.25Å; I78-F247 HydrophobicContact CD1-CD1 4.31Å; I78-F247 HydrophobicContact CD1-CE1 3.41Å; I78-F247 VanDerWaalsContact CD1-CE1 3.41Å; I78-F247 HydrophobicContact CD1-CZ 3.67Å; F81-F247 HydrophobicContact CE2-CB 4.28Å; F81-F247 HydrophobicContact CE2-CD1 4.34Å; F81-F247 AromaticContact CE2-CD2 3.92Å; F81-F247 HydrophobicContact CE2-CD2 3.92Å; F81-F247 HydrophobicContact CE2-CE2 4.36Å; F81-F247 AromaticContact CE2-CG 3.91Å; F81-F247 HydrophobicContact CE2-CG 3.91Å; F81-F247 HydrophobicContact CZ-CB 4.36Å; F81-F247 HydrophobicContact CZ-CD2 4.4Å; F81-F247 HydrophobicContact CZ-CG 4.41Å; Y91-F247 HydrophobicContact CE2-CD2 4.5Å; T184-F247 WeakPolarHBondContact CA-O 3.33Å; C185-F247 PolarHBondContact N-O 2.84Å; C185-F247 WeakPolarHBondContact O-CD2 2.8Å; C185-F247 PolarHBondContact O-N 2.69Å; M187-F247 HydrophobicContact CB-CE2 4.12Å; M187-F247 HydrophobicContact CE-CE2 4.2Å; M187-F247 HydrophobicContact CE-CZ 4.48Å; V209-F247 HydrophobicContact CG1-CE1 4.09Å; L222-F247 HydrophobicContact CD1-CB 4.02Å; L222-F247 HydrophobicContact CD1-CD1 4.28Å; K226-F247 HydrophobicContact CG-CD1 4.18Å; K226-F247 HydrophobicContact CG-CE1 4.41Å; V245-F247 HydrophobicContact CB-CZ 4.41Å; V245-F247 HydrophobicContact CG1-CE1 4.47Å; V245-F247 HydrophobicContact CG1-CE2 3.85Å; V245-F247 HydrophobicContact CG1-CZ 3.64Å; V245-F247 HydrophobicContact CG2-CD1 4.41Å; V245-F247 HydrophobicContact CG2-CE1 3.81Å; V245-F247 HydrophobicContact CG2-CE2 4.41Å; V245-F247 HydrophobicContact CG2-CZ 3.82Å
248	H	96	Very high	96.3	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.1	174.6	-54.8	-90.9	0	0	0	109.3	T184 K223 D227 Q462	T184-H248 PolarHBondContact OG1-ND1 3.21Å; K223-H248 HydrophobicContact CB-CB 4Å; K223-H248 HydrophobicContact CG-CB 3.82Å; K223-H248 PolarHBondContact N-O 3.38Å; D227-H248 IonicContact OD1-NE2 2.63Å; D227-H248 IonicContact OD2-CE1 3.33Å; D227-H248 IonicContact OD2-NE2 3.99Å; H248-Q462 PolarHBondContact ND1-OE1 3.46Å
249	L	96.1	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.8	-175.5	-64.3	169.7	0	0	0	109	F81 I84 V182 Q183 C185 L217 F220 L222	F81-L249 HydrophobicContact CE1-CD1 4.02Å; F81-L249 HydrophobicContact CE1-CD2 4.03Å; F81-L249 HydrophobicContact CZ-CD1 4.07Å; F81-L249 HydrophobicContact CZ-CD2 4.15Å; I84-L249 HydrophobicContact CD1-CD1 3.92Å; I84-L249 HydrophobicContact CD1-CD2 4.5Å; V182-L249 WeakPolarHBondContact CA-O 3.36Å; Q183-L249 HydrophobicContact CB-CB 4.34Å; Q183-L249 PolarHBondContact N-O 3.02Å; Q183-L249 PolarHBondContact O-N 2.05Å; C185-L249 HydrophobicContact CB-CD1 4.15Å; L217-L249 HydrophobicContact CD2-CD2 4.44Å; F220-L249 HydrophobicContact CB-CB 4.42Å; F220-L249 HydrophobicContact CB-CD2 4.47Å; F220-L249 HydrophobicContact CD1-CB 3.94Å; F220-L249 HydrophobicContact CG-CB 4.39Å; L222-L249 HydrophobicContact CB-CD2 4.36Å; L222-L249 HydrophobicContact CD1-CD2 3.83Å
250	E	94.4	Very high	95.9	Very high	19 Å²	19	34.5 Å²	34.5	9%	0.089	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.3	178.9	178.1	172.3	-155	0	0	110.6	V182 F220 L221 K223 R455	V182-E250 HydrophobicContact CG2-CB 4.45Å; V182-E250 HydrophobicContact CG2-CG 4.35Å; F220-E250 CarbonylContact C-O 3.28Å; F220-E250 VanDerWaalsContact CA-O 3.25Å; F220-E250 WeakPolarHBondContact CA-O 3.15Å; L221-E250 HydrophobicContact CB-CB 4.42Å; L221-E250 PolarHBondContact N-O 2.83Å; L221-E250 PolarHBondContact O-N 2.86Å; K223-E250 WeakPolarHBondContact CE-OE2 3.49Å; K223-E250 IonicContact NZ-OE2 3.51Å; K223-E250 PolarHBondContact NZ-OE2 2.85Å; E250-R455 IonicContact OE1-CZ 3.12Å; E250-R455 VanDerWaalsContact OE1-CZ 3.3Å; E250-R455 IonicContact OE1-NE 3.35Å; E250-R455 PolarHBondContact OE1-NE 2.93Å; E250-R455 IonicContact OE1-NH2 3.45Å; E250-R455 PolarHBondContact OE1-NH2 3.37Å
251	R	95.4	Very high	95.8	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.7	-177.7	-168.5	177.8	-60.1	-84.7	-2.8	111.9	E86 P179 D181 F220 Y256	E86-R251 IonicContact OE1-CZ 3.28Å; E86-R251 IonicContact OE1-NH1 2.74Å; E86-R251 PolarHBondContact OE1-NH1 3.43Å; E86-R251 IonicContact OE1-NH2 3.94Å; E86-R251 PolarHBondContact OE1-NH2 3.1Å; P179-R251 WeakPolarHBondContact O-CD 3.39Å; D181-R251 PolarHBondContact O-N 3.35Å; D181-R251 WeakPolarHBondContact OD1-CD 3.3Å; D181-R251 IonicContact OD1-CZ 2.81Å; D181-R251 IonicContact OD1-NE 3.29Å; D181-R251 PolarHBondContact OD1-NE 3.28Å; D181-R251 IonicContact OD1-NH2 2.78Å; D181-R251 IonicContact OD2-CZ 3.86Å; D181-R251 IonicContact OD2-NE 3.28Å; D181-R251 PolarHBondContact OD2-NE 3.49Å; D181-R251 VanDerWaalsContact OD2-NE 3.12Å; D181-R251 IonicContact OD2-NH2 2.67Å; D181-R251 PolarHBondContact OD2-NH2 3Å; F220-R251 HydrophobicContact CD1-CB 4.12Å; F220-R251 HydrophobicContact CE1-CB 3.97Å; F220-R251 HydrophobicContact CE1-CG 4.22Å; F220-R251 VanDerWaalsContact CZ-CZ 3.42Å; F220-R251 VanDerWaalsContact CZ-NH1 3.3Å; R251-Y256 HydrophobicContact CG-CE2 3.96Å; R251-Y256 PolarHBondContact NH1-OH 3.45Å
252	Q	94.6	Very high	95.7	Very high	80 Å²	80	38.1 Å²	38.1	37%	0.374	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-80.6	124.1	174.6	-68.1	-166.4	-31.9	0	0	111.8	P218 Q219 L221	P218-Q252 PolarHBondContact O-OE1 3.25Å; Q219-Q252 PolarHBondContact O-N 3.14Å; L221-Q252 HydrophobicContact CD1-CG 4.4Å; L221-Q252 VanDerWaalsContact CD2-NE2 3.32Å; L221-Q252 HydrophobicContact CG-CG 3.95Å
253	M	93	Very high	95.7	Very high	27 Å²	27	40.2 Å²	40.2	13%	0.133	20%	0.201	C	C	.	.			trans	-80.4	-21.8	-171.6	-169	56.3	-179.9	0	0	114.5	P179 M180 Y255 Y256 L257 Y261 W448	P179-M253 HydrophobicContact CB-SD 4.32Å; P179-M253 HydrophobicContact CG-CE 3.92Å; P179-M253 HydrophobicContact CG-SD 3.7Å; M180-M253 HydrophobicContact CG-CE 4.03Å; M180-M253 HydrophobicContact CG-SD 3.84Å; M180-M253 HydrophobicContact SD-CE 4.27Å; M253-Y255 PolarHBondContact O-N 2.72Å; M253-Y256 PolarHBondContact O-N 3.21Å; M253-Y256 VanDerWaalsContact O-N 3.14Å; M253-L257 HydrophobicContact CE-CD2 4.08Å; M253-L257 HydrophobicContact CE-CG 4.33Å; M253-L257 HydrophobicContact CG-CD1 4.06Å; M253-L257 HydrophobicContact CG-CD2 4.48Å; M253-L257 HydrophobicContact CG-CG 3.96Å; M253-L257 PolarHBondContact O-N 2.89Å; M253-L257 VanDerWaalsContact O-N 3.1Å; M253-Y261 HydrophobicContact CE-CD2 3.89Å; M253-Y261 HydrophobicContact CE-CE2 3.28Å; M253-W448 HydrophobicContact CE-CH2 3.57Å; M253-W448 HydrophobicContact CE-CZ3 3.68Å
254	G	94.1	Very high	95.7	Very high	43 Å²	43	40.2 Å²	40.2	44%	0.443	20%	0.201	S	C	.	.	H	α-helix	trans	-56.9	-42.3	-168.8	0	0	0	0	0	114.4	L257 I258	G254-L257 PolarHBondContact O-N 2.88Å; G254-I258 PolarHBondContact O-N 2.89Å
255	Y	94.8	Very high	95.6	Very high	128 Å²	128	42.6 Å²	42.6	50%	0.502	21%	0.214	S	C	.	.	H	α-helix	trans	-59.6	-48.3	177.2	174.1	-93.7	0	0	0	112.3	M253 L257 I258 Q259	M253-Y255 PolarHBondContact O-N 2.72Å; Y255-L257 VanDerWaalsContact C-N 3.34Å; Y255-L257 PolarHBondContact O-N 3.42Å; Y255-I258 PolarHBondContact O-N 2.83Å; Y255-Q259 HydrophobicContact CD2-CG 4.38Å; Y255-Q259 HydrophobicContact CE2-CG 4.13Å; Y255-Q259 PolarHBondContact O-N 3.05Å; Y255-Q259 PolarHBondContact OH-OE1 2.79Å
256	Y	95	Very high	95.6	Very high	13 Å²	13	47.5 Å²	47.5	5%	0.051	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-33.4	-176.9	-60.2	-77.8	0	0	0	112.1	F178 P179 R251 M253 M260 Y261	F178-Y256 HydrophobicContact CE1-CE1 4.17Å; F178-Y256 HydrophobicContact CE2-CE1 4.02Å; F178-Y256 AromaticContact CE2-CZ 3.92Å; F178-Y256 HydrophobicContact CZ-CD1 4.13Å; F178-Y256 AromaticContact CZ-CE1 3.38Å; F178-Y256 HydrophobicContact CZ-CE1 3.38Å; F178-Y256 AromaticContact CZ-CZ 3.79Å; P179-Y256 HydrophobicContact CB-CD1 3.89Å; P179-Y256 HydrophobicContact CB-CD2 3.53Å; P179-Y256 HydrophobicContact CB-CE1 4.18Å; P179-Y256 HydrophobicContact CB-CE2 3.83Å; P179-Y256 HydrophobicContact CB-CG 3.55Å; P179-Y256 HydrophobicContact CG-CD1 4.25Å; P179-Y256 HydrophobicContact CG-CD2 4.16Å; P179-Y256 HydrophobicContact CG-CG 3.8Å; R251-Y256 HydrophobicContact CG-CE2 3.96Å; R251-Y256 PolarHBondContact NH1-OH 3.45Å; M253-Y256 PolarHBondContact O-N 3.21Å; M253-Y256 VanDerWaalsContact O-N 3.14Å; Y256-M260 HydrophobicContact CD1-CE 3.71Å; Y256-M260 HydrophobicContact CD1-SD 3.74Å; Y256-M260 HydrophobicContact CE1-CE 3.92Å; Y256-M260 HydrophobicContact CE1-SD 4.45Å; Y256-M260 WeakPolarHBondContact O-CA 3.34Å; Y256-M260 VanDerWaalsContact O-CB 3.31Å; Y256-M260 WeakPolarHBondContact O-CB 3.27Å; Y256-M260 PolarHBondContact O-N 3.3Å; Y256-Y261 WeakPolarHBondContact O-CD2 3.42Å; Y256-Y261 PolarHBondContact O-N 3.31Å; Y256-Y261 VanDerWaalsContact O-N 3.1Å
257	L	95.4	Very high	95.6	Very high	61 Å²	61	45 Å²	45	32%	0.319	23%	0.232	S	C	.	.	I	π-helix	trans	-58.8	-49.9	173.2	-71.9	171.1	0	0	0	111.5	M253 G254 Y255 Y261 I262 W448	M253-L257 HydrophobicContact CE-CD2 4.08Å; M253-L257 HydrophobicContact CE-CG 4.33Å; M253-L257 HydrophobicContact CG-CD1 4.06Å; M253-L257 HydrophobicContact CG-CD2 4.48Å; M253-L257 HydrophobicContact CG-CG 3.96Å; M253-L257 PolarHBondContact O-N 2.89Å; M253-L257 VanDerWaalsContact O-N 3.1Å; G254-L257 PolarHBondContact O-N 2.88Å; Y255-L257 VanDerWaalsContact C-N 3.34Å; Y255-L257 PolarHBondContact O-N 3.42Å; L257-Y261 HydrophobicContact CD2-CD2 4.19Å; L257-Y261 HydrophobicContact CD2-CG 4.33Å; L257-Y261 PolarHBondContact O-N 2.98Å; L257-I262 WeakPolarHBondContact O-CB 3.49Å; L257-I262 VanDerWaalsContact O-CG1 3.31Å; L257-I262 WeakPolarHBondContact O-CG1 3.39Å; L257-I262 PolarHBondContact O-N 2.98Å; L257-W448 HydrophobicContact CD2-CH2 3.68Å; L257-W448 HydrophobicContact CD2-CZ2 4.17Å
258	I	95.5	Very high	95.7	Very high	119 Å²	119	45 Å²	45	61%	0.61	23%	0.232	S	C	*	.	I	π-helix	trans	-72.4	-41.4	-175.5	-63.4	170.4	0	0	0	111.7	G254 Y255 P263	G254-I258 PolarHBondContact O-N 2.89Å; Y255-I258 PolarHBondContact O-N 2.83Å; I258-P263 VanDerWaalsContact O-CD 3.23Å; I258-P263 WeakPolarHBondContact O-CD 3.48Å; I258-P263 WeakPolarHBondContact O-CG 3.19Å
259	Q	92.9	Very high	95.7	Very high	103 Å²	103	47.7 Å²	47.7	48%	0.481	25%	0.245	S	C	.	.	I	π-helix	trans	-90.2	-28.3	-173.5	-66.6	-155.6	5.1	0	0	114.9	Y255	Y255-Q259 HydrophobicContact CD2-CG 4.38Å; Y255-Q259 HydrophobicContact CE2-CG 4.13Å; Y255-Q259 PolarHBondContact O-N 3.05Å; Y255-Q259 PolarHBondContact OH-OE1 2.79Å
260	M	93.7	Very high	95.7	Very high	18 Å²	18	51.7 Å²	51.7	9%	0.089	27%	0.267	C	S	.	.	I	π-helix	trans	-114.3	-57.7	-173.5	-55.9	-171.8	-176.5	0	0	111.9	Y256 S264 Q299 I316	Y256-M260 HydrophobicContact CD1-CE 3.71Å; Y256-M260 HydrophobicContact CD1-SD 3.74Å; Y256-M260 HydrophobicContact CE1-CE 3.92Å; Y256-M260 HydrophobicContact CE1-SD 4.45Å; Y256-M260 WeakPolarHBondContact O-CA 3.34Å; Y256-M260 VanDerWaalsContact O-CB 3.31Å; Y256-M260 WeakPolarHBondContact O-CB 3.27Å; Y256-M260 PolarHBondContact O-N 3.3Å; M260-S264 WeakPolarHBondContact O-CB 3.46Å; M260-S264 PolarHBondContact O-N 3.49Å; M260-S264 PolarHBondContact O-OG 3.33Å; M260-Q299 PolarHBondContact O-NE2 3.31Å; M260-Q299 VanDerWaalsContact O-NE2 3.16Å; M260-I316 HydrophobicContact CB-CD1 4.4Å; M260-I316 HydrophobicContact SD-CD1 4.22Å; M260-I316 HydrophobicContact SD-CG1 4.33Å
261	Y	96.5	Very high	95.8	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.027	26%	0.263	C	S	.	.	I	π-helix	trans	-70.8	-48.9	-172.5	-70.9	-88.8	0	0	0	113.4	P179 M253 Y256 L257 S264 L265 I316 W319 Y447 W448	P179-Y261 WeakPolarHBondContact CD-OH 3.41Å; P179-Y261 HydrophobicContact CG-CE2 4.04Å; M253-Y261 HydrophobicContact CE-CD2 3.89Å; M253-Y261 HydrophobicContact CE-CE2 3.28Å; Y256-Y261 WeakPolarHBondContact O-CD2 3.42Å; Y256-Y261 PolarHBondContact O-N 3.31Å; Y256-Y261 VanDerWaalsContact O-N 3.1Å; L257-Y261 HydrophobicContact CD2-CD2 4.19Å; L257-Y261 HydrophobicContact CD2-CG 4.33Å; L257-Y261 PolarHBondContact O-N 2.98Å; Y261-S264 WeakPolarHBondContact CA-OG 3.3Å; Y261-S264 PolarHBondContact O-N 3.3Å; Y261-S264 PolarHBondContact O-OG 2.75Å; Y261-L265 VanDerWaalsContact O-CB 3.28Å; Y261-L265 WeakPolarHBondContact O-CB 3.33Å; Y261-L265 PolarHBondContact O-N 3.22Å; Y261-I316 HydrophobicContact CE2-CD1 4.26Å; Y261-W319 AromaticContact CD1-CD2 3.55Å; Y261-W319 HydrophobicContact CD1-CD2 3.55Å; Y261-W319 AromaticContact CD1-CE2 3.43Å; Y261-W319 VanDerWaalsContact CD1-CE2 3.43Å; Y261-W319 AromaticContact CD1-CE3 3.95Å; Y261-W319 HydrophobicContact CD1-CE3 3.95Å; Y261-W319 AromaticContact CD1-CG 3.99Å; Y261-W319 HydrophobicContact CD1-CG 3.99Å; Y261-W319 HydrophobicContact CD1-CH2 4.11Å; Y261-W319 AromaticContact CD1-CZ2 3.74Å; Y261-W319 HydrophobicContact CD1-CZ2 3.74Å; Y261-W319 HydrophobicContact CD1-CZ3 4.21Å; Y261-W319 AromaticContact CD1-NE1 3.75Å; Y261-W319 HydrophobicContact CE1-CB 4.21Å; Y261-W319 AromaticContact CE1-CD2 3.55Å; Y261-W319 HydrophobicContact CE1-CD2 3.55Å; Y261-W319 AromaticContact CE1-CE2 3.95Å; Y261-W319 AromaticContact CE1-CE3 3.85Å; Y261-W319 HydrophobicContact CE1-CE3 3.85Å; Y261-W319 AromaticContact CE1-CG 3.69Å; Y261-W319 HydrophobicContact CE1-CG 3.69Å; Y261-W319 HydrophobicContact CE1-CZ3 4.45Å; Y261-Y447 AromaticContact CE1-CE1 3.73Å; Y261-Y447 HydrophobicContact CE1-CE1 3.73Å; Y261-Y447 PolarHBondContact OH-OH 3.31Å; Y261-W448 AromaticContact CD1-CH2 3.86Å; Y261-W448 HydrophobicContact CD1-CH2 3.86Å; Y261-W448 AromaticContact CD1-CZ2 3.61Å; Y261-W448 HydrophobicContact CD1-CZ2 3.61Å; Y261-W448 HydrophobicContact CD2-CH2 4.32Å; Y261-W448 AromaticContact CE1-CH2 3.78Å; Y261-W448 HydrophobicContact CE1-CH2 3.78Å; Y261-W448 AromaticContact CE1-CZ2 3.83Å; Y261-W448 HydrophobicContact CE1-CZ2 3.83Å; Y261-W448 HydrophobicContact CE2-CH2 4.26Å; Y261-W448 HydrophobicContact CG-CH2 4.14Å; Y261-W448 HydrophobicContact CG-CZ2 4.12Å; Y261-W448 AromaticContact CZ-CH2 3.98Å
262	I	96.9	Very high	95.9	Very high	85 Å²	85	52.6 Å²	52.6	44%	0.436	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-47.7	-178.7	-68.8	171.1	0	0	0	111.5	L257 S264 L265 L266	L257-I262 WeakPolarHBondContact O-CB 3.49Å; L257-I262 VanDerWaalsContact O-CG1 3.31Å; L257-I262 WeakPolarHBondContact O-CG1 3.39Å; L257-I262 PolarHBondContact O-N 2.98Å; I262-S264 PolarHBondContact O-N 3.38Å; I262-L265 WeakPolarHBondContact O-CB 3.19Å; I262-L265 PolarHBondContact O-N 3.36Å; I262-L266 HydrophobicContact CG2-CD1 4.16Å; I262-L266 HydrophobicContact CG2-CG 4.48Å; I262-L266 WeakPolarHBondContact O-CG 3.28Å; I262-L266 PolarHBondContact O-N 3.01Å
263	P	97.5	Very high	95.9	Very high	43 Å²	43	52.2 Å²	52.2	28%	0.279	27%	0.272	S	S	.	.	H	α-helix	trans	-67.7	-35.8	-179.4	-21.1	34.3	0	0	0	112.9	I258 L266 I267	I258-P263 VanDerWaalsContact O-CD 3.23Å; I258-P263 WeakPolarHBondContact O-CD 3.48Å; I258-P263 WeakPolarHBondContact O-CG 3.19Å; P263-L266 PolarHBondContact O-N 3.18Å; P263-I267 WeakPolarHBondContact O-CG1 3.24Å; P263-I267 PolarHBondContact O-N 3.13Å
264	S	97.5	Very high	95.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-39.5	175.3	52.6	0	0	0	0	111.9	M260 Y261 I262 L266 I267 V268 W319	M260-S264 WeakPolarHBondContact O-CB 3.46Å; M260-S264 PolarHBondContact O-N 3.49Å; M260-S264 PolarHBondContact O-OG 3.33Å; Y261-S264 WeakPolarHBondContact CA-OG 3.3Å; Y261-S264 PolarHBondContact O-N 3.3Å; Y261-S264 PolarHBondContact O-OG 2.75Å; I262-S264 PolarHBondContact O-N 3.38Å; S264-L266 VanDerWaalsContact C-N 3.34Å; S264-L266 PolarHBondContact O-N 3.02Å; S264-I267 PolarHBondContact O-N 3.21Å; S264-V268 WeakPolarHBondContact O-CG2 3.49Å; S264-V268 PolarHBondContact O-N 3.46Å; S264-W319 PolarHBondContact OG-NE1 3.33Å
265	L	97.1	Very high	95.9	Very high	58 Å²	58	49.1 Å²	49.1	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-57.7	-46	171.2	175.7	68.1	0	0	0	111.5	Y261 I262 I267 V268 I269 F440	Y261-L265 VanDerWaalsContact O-CB 3.28Å; Y261-L265 WeakPolarHBondContact O-CB 3.33Å; Y261-L265 PolarHBondContact O-N 3.22Å; I262-L265 WeakPolarHBondContact O-CB 3.19Å; I262-L265 PolarHBondContact O-N 3.36Å; L265-I267 VanDerWaalsContact C-N 3.33Å; L265-I267 PolarHBondContact O-N 3.04Å; L265-V268 PolarHBondContact O-N 3.5Å; L265-I269 HydrophobicContact CD1-CD1 4.21Å; L265-I269 HydrophobicContact CG-CD1 3.94Å; L265-I269 WeakPolarHBondContact O-CG1 3.39Å; L265-I269 PolarHBondContact O-N 3.46Å; L265-F440 HydrophobicContact CD1-CD1 4.3Å; L265-F440 HydrophobicContact CD1-CE1 3.46Å; L265-F440 VanDerWaalsContact CD1-CE1 3.46Å; L265-F440 HydrophobicContact CD1-CZ 4.3Å
266	L	97.3	Very high	95.8	Very high	103 Å²	103	51.6 Å²	51.6	54%	0.539	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-37.6	178.2	-69.3	174.1	0	0	0	112.3	I262 P263 S264 I269 L270	I262-L266 HydrophobicContact CG2-CD1 4.16Å; I262-L266 HydrophobicContact CG2-CG 4.48Å; I262-L266 WeakPolarHBondContact O-CG 3.28Å; I262-L266 PolarHBondContact O-N 3.01Å; P263-L266 PolarHBondContact O-N 3.18Å; S264-L266 VanDerWaalsContact C-N 3.34Å; S264-L266 PolarHBondContact O-N 3.02Å; L266-I269 PolarHBondContact O-N 3.36Å; L266-L270 VanDerWaalsContact O-CB 3.32Å; L266-L270 WeakPolarHBondContact O-CB 3.5Å; L266-L270 PolarHBondContact O-N 2.98Å
267	I	97.8	Very high	95.8	Very high	23 Å²	23	53.1 Å²	53.1	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-42.2	174.9	-67.7	163.1	0	0	0	111	P263 S264 L265 L270 S271 T292 T295 M296 V327	P263-I267 WeakPolarHBondContact O-CG1 3.24Å; P263-I267 PolarHBondContact O-N 3.13Å; S264-I267 PolarHBondContact O-N 3.21Å; L265-I267 VanDerWaalsContact C-N 3.33Å; L265-I267 PolarHBondContact O-N 3.04Å; I267-L270 PolarHBondContact O-N 2.8Å; I267-S271 PolarHBondContact O-N 3.02Å; I267-T292 HydrophobicContact CG2-CG2 4.22Å; I267-T295 HydrophobicContact CD1-CG2 3.51Å; I267-T295 HydrophobicContact CG1-CG2 4.2Å; I267-M296 HydrophobicContact CG2-CB 4.34Å; I267-V327 HydrophobicContact CG2-CG2 4.22Å
268	V	98.1	Very high	95.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-46.7	175.5	174.5	0	0	0	0	110.2	S264 L265 L270 S271 W272 C323 F326 V327 F440	S264-V268 WeakPolarHBondContact O-CG2 3.49Å; S264-V268 PolarHBondContact O-N 3.46Å; L265-V268 PolarHBondContact O-N 3.5Å; V268-L270 VanDerWaalsContact C-N 3.3Å; V268-L270 PolarHBondContact O-N 2.76Å; V268-S271 WeakPolarHBondContact O-CB 3.39Å; V268-S271 PolarHBondContact O-N 2.72Å; V268-S271 VanDerWaalsContact O-N 3.16Å; V268-S271 PolarHBondContact O-OG 2.8Å; V268-W272 HydrophobicContact CG1-CH2 4.5Å; V268-W272 HydrophobicContact CG1-CZ2 3.54Å; V268-W272 VanDerWaalsContact O-CD1 3.28Å; V268-W272 PolarHBondContact O-N 2.98Å; V268-W272 PolarHBondContact O-NE1 3.47Å; V268-C323 HydrophobicContact CG2-CB 3.79Å; V268-F326 HydrophobicContact CG1-CB 4.33Å; V268-V327 HydrophobicContact CG2-CG2 4Å; V268-F440 HydrophobicContact CB-CZ 4.36Å; V268-F440 HydrophobicContact CG1-CD1 4.26Å; V268-F440 HydrophobicContact CG1-CD2 4.07Å; V268-F440 HydrophobicContact CG1-CE1 4.22Å; V268-F440 HydrophobicContact CG1-CE2 4.02Å; V268-F440 HydrophobicContact CG1-CG 4.19Å; V268-F440 HydrophobicContact CG1-CZ 4.1Å; V268-F440 HydrophobicContact CG2-CE2 4.22Å; V268-F440 HydrophobicContact CG2-CZ 4.18Å
269	I	96.8	Very high	95	Very high	67 Å²	67	52 Å²	52	34%	0.344	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-40.9	176.1	-66.1	166.5	0	0	0	111	L265 L266 S271 W272	L265-I269 HydrophobicContact CD1-CD1 4.21Å; L265-I269 HydrophobicContact CG-CD1 3.94Å; L265-I269 WeakPolarHBondContact O-CG1 3.39Å; L265-I269 PolarHBondContact O-N 3.46Å; L266-I269 PolarHBondContact O-N 3.36Å; I269-S271 VanDerWaalsContact C-N 3.27Å; I269-S271 PolarHBondContact O-N 2.87Å; I269-W272 HydrophobicContact CB-CE3 4.3Å; I269-W272 HydrophobicContact CB-CZ3 4.45Å; I269-W272 HydrophobicContact CG1-CE3 4.08Å; I269-W272 HydrophobicContact CG1-CH2 4.14Å; I269-W272 HydrophobicContact CG1-CZ3 3.73Å; I269-W272 HydrophobicContact CG2-CE3 4.37Å; I269-W272 WeakPolarHBondContact O-CB 3.34Å; I269-W272 PolarHBondContact O-N 3.12Å
270	L	96.1	Very high	94.6	Very high	85 Å²	85	52.5 Å²	52.5	45%	0.445	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-37.7	177.8	-165.8	149.2	0	0	0	111.3	L266 I267 V268 W272 V273 L288 T292	L266-L270 VanDerWaalsContact O-CB 3.32Å; L266-L270 WeakPolarHBondContact O-CB 3.5Å; L266-L270 PolarHBondContact O-N 2.98Å; I267-L270 PolarHBondContact O-N 2.8Å; V268-L270 VanDerWaalsContact C-N 3.3Å; V268-L270 PolarHBondContact O-N 2.76Å; L270-W272 PolarHBondContact O-N 3.19Å; L270-V273 WeakPolarHBondContact O-CB 3.39Å; L270-V273 PolarHBondContact O-N 3.27Å; L270-V273 VanDerWaalsContact O-N 3.17Å; L270-L288 HydrophobicContact CD2-CD1 4.18Å; L270-L288 HydrophobicContact CD2-CD2 3.97Å; L270-L288 HydrophobicContact CD2-CG 3.74Å; L270-L288 WeakPolarHBondContact O-CD2 3.31Å; L270-T292 HydrophobicContact CB-CG2 4.34Å; L270-T292 HydrophobicContact CD2-CG2 3.3Å; L270-T292 HydrophobicContact CG-CG2 4.38Å
271	S	96.6	Very high	94.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-33	174.8	81.8	0	0	0	0	112.7	I267 V268 I269 V273 S274	I267-S271 PolarHBondContact O-N 3.02Å; V268-S271 WeakPolarHBondContact O-CB 3.39Å; V268-S271 PolarHBondContact O-N 2.72Å; V268-S271 VanDerWaalsContact O-N 3.16Å; V268-S271 PolarHBondContact O-OG 2.8Å; I269-S271 VanDerWaalsContact C-N 3.27Å; I269-S271 PolarHBondContact O-N 2.87Å; S271-V273 VanDerWaalsContact C-N 3.3Å; S271-V273 PolarHBondContact O-N 2.94Å; S271-S274 WeakPolarHBondContact O-CB 3.45Å; S271-S274 PolarHBondContact O-N 3.23Å
272	W	95.7	Very high	94.2	Very high	40 Å²	40	54.4 Å²	54.4	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-72.8	-22.4	-179.9	-52.2	-19.1	0	0	0	113.3	V268 I269 L270 S274 F275 P437 F440	V268-W272 HydrophobicContact CG1-CH2 4.5Å; V268-W272 HydrophobicContact CG1-CZ2 3.54Å; V268-W272 VanDerWaalsContact O-CD1 3.28Å; V268-W272 PolarHBondContact O-N 2.98Å; V268-W272 PolarHBondContact O-NE1 3.47Å; I269-W272 HydrophobicContact CB-CE3 4.3Å; I269-W272 HydrophobicContact CB-CZ3 4.45Å; I269-W272 HydrophobicContact CG1-CE3 4.08Å; I269-W272 HydrophobicContact CG1-CH2 4.14Å; I269-W272 HydrophobicContact CG1-CZ3 3.73Å; I269-W272 HydrophobicContact CG2-CE3 4.37Å; I269-W272 WeakPolarHBondContact O-CB 3.34Å; I269-W272 PolarHBondContact O-N 3.12Å; L270-W272 PolarHBondContact O-N 3.19Å; W272-S274 PolarHBondContact O-N 2.96Å; W272-F275 HydrophobicContact CB-CD2 4.03Å; W272-F275 HydrophobicContact CB-CE2 4.01Å; W272-F275 AromaticContact CD1-CE2 3.88Å; W272-F275 HydrophobicContact CG-CE2 4.19Å; W272-F275 WeakPolarHBondContact O-CB 3.23Å; W272-F275 VanDerWaalsContact O-CD2 3.28Å; W272-F275 WeakPolarHBondContact O-CD2 3.39Å; W272-F275 PolarHBondContact O-N 3.29Å; W272-F275 VanDerWaalsContact O-N 3.08Å; W272-P437 HydrophobicContact CD2-CG 4.05Å; W272-P437 HydrophobicContact CE3-CB 4.22Å; W272-P437 HydrophobicContact CE3-CG 3.8Å; W272-P437 HydrophobicContact CH2-CB 4.01Å; W272-P437 HydrophobicContact CH2-CG 4.37Å; W272-P437 HydrophobicContact CZ2-CB 4.5Å; W272-P437 HydrophobicContact CZ3-CB 3.85Å; W272-P437 HydrophobicContact CZ3-CG 3.96Å; W272-F440 HydrophobicContact CH2-CB 4.28Å; W272-F440 HydrophobicContact CH2-CD1 4.02Å; W272-F440 HydrophobicContact CH2-CG 4.42Å; W272-F440 HydrophobicContact CZ2-CB 3.8Å; W272-F440 AromaticContact CZ2-CD1 3.94Å; W272-F440 HydrophobicContact CZ2-CD1 3.94Å; W272-F440 AromaticContact CZ2-CG 3.96Å; W272-F440 HydrophobicContact CZ2-CG 3.96Å
273	V	94.7	Very high	94	Very high	73 Å²	73	55.3 Å²	55.3	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-29.2	174.4	-178.9	0	0	0	0	110.5	L270 S271 F275 W276 L288	L270-V273 WeakPolarHBondContact O-CB 3.39Å; L270-V273 PolarHBondContact O-N 3.27Å; L270-V273 VanDerWaalsContact O-N 3.17Å; S271-V273 VanDerWaalsContact C-N 3.3Å; S271-V273 PolarHBondContact O-N 2.94Å; V273-F275 PolarHBondContact O-N 3.46Å; V273-W276 PolarHBondContact O-N 2.98Å; V273-L288 HydrophobicContact CB-CD1 4.32Å
274	S	93.6	Very high	93.8	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.028	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-53.1	-36.9	174.5	-171	0	0	0	0	113.2	S271 W272 W276 I277 R285	S271-S274 WeakPolarHBondContact O-CB 3.45Å; S271-S274 PolarHBondContact O-N 3.23Å; W272-S274 PolarHBondContact O-N 2.96Å; S274-W276 PolarHBondContact O-N 3.33Å; S274-I277 PolarHBondContact O-N 3.45Å; S274-I277 VanDerWaalsContact O-N 3.14Å; S274-R285 PolarHBondContact O-NE 2.66Å; S274-R285 VanDerWaalsContact O-NE 3.12Å; S274-R285 PolarHBondContact OG-NE 2.81Å
275	F	93.9	Very high	93.7	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-69.1	-17	-178.4	-50.1	-41.3	0	0	0	113.6	W272 V273 A330 E333 R433 F436	W272-F275 HydrophobicContact CB-CD2 4.03Å; W272-F275 HydrophobicContact CB-CE2 4.01Å; W272-F275 AromaticContact CD1-CE2 3.88Å; W272-F275 HydrophobicContact CG-CE2 4.19Å; W272-F275 WeakPolarHBondContact O-CB 3.23Å; W272-F275 VanDerWaalsContact O-CD2 3.28Å; W272-F275 WeakPolarHBondContact O-CD2 3.39Å; W272-F275 PolarHBondContact O-N 3.29Å; W272-F275 VanDerWaalsContact O-N 3.08Å; V273-F275 PolarHBondContact O-N 3.46Å; F275-A330 HydrophobicContact CE1-CB 4.08Å; F275-A330 HydrophobicContact CZ-CB 3.83Å; F275-E333 HydrophobicContact CD1-CG 4.42Å; F275-E333 WeakPolarHBondContact CD1-OE2 3.41Å; F275-E333 HydrophobicContact CE1-CB 4.22Å; F275-E333 HydrophobicContact CE1-CG 3.92Å; F275-E333 WeakPolarHBondContact CE1-OE2 3.31Å; F275-R433 HydrophobicContact CB-CG 3.78Å; F275-R433 PolarHBondContact O-NE 3.39Å; F275-R433 PolarHBondContact O-NH2 3.01Å; F275-F436 HydrophobicContact CE2-CB 3.92Å; F275-F436 HydrophobicContact CE2-CD1 4.2Å; F275-F436 HydrophobicContact CE2-CD2 4.04Å; F275-F436 AromaticContact CE2-CG 3.81Å; F275-F436 HydrophobicContact CE2-CG 3.81Å; F275-F436 HydrophobicContact CZ-CB 4.4Å; F275-F436 AromaticContact CZ-CD1 3.88Å; F275-F436 HydrophobicContact CZ-CD1 3.88Å; F275-F436 AromaticContact CZ-CD2 3.84Å; F275-F436 HydrophobicContact CZ-CD2 3.84Å; F275-F436 HydrophobicContact CZ-CE1 4Å; F275-F436 AromaticContact CZ-CE2 3.96Å; F275-F436 HydrophobicContact CZ-CE2 3.96Å; F275-F436 AromaticContact CZ-CG 3.79Å; F275-F436 HydrophobicContact CZ-CG 3.79Å; F275-F436 HydrophobicContact CZ-CZ 4.04Å
276	W	93.9	Very high	93.6	Very high	179 Å²	179	55.3 Å²	55.3	68%	0.678	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-93.6	-15.2	177.6	-66.2	90.5	0	0	0	112.5	V273 S274 R433	V273-W276 PolarHBondContact O-N 2.98Å; S274-W276 PolarHBondContact O-N 3.33Å; W276-R433 HydrophobicContact CZ2-CG 4.35Å
277	I	93.3	Very high	93.5	Very high	46 Å²	46	52.9 Å²	52.9	24%	0.236	30%	0.297	C	S	.	.	S	Bend	trans	-79.7	136.1	178.1	-59.3	176.5	0	0	0	109.6	S274 M279 A281 A284 R285 L288	S274-I277 PolarHBondContact O-N 3.45Å; S274-I277 VanDerWaalsContact O-N 3.14Å; I277-M279 PolarHBondContact O-N 3.1Å; I277-A281 HydrophobicContact CG2-CB 3.99Å; I277-A284 HydrophobicContact CG2-CB 4.32Å; I277-R285 HydrophobicContact CB-CG 3.87Å; I277-R285 HydrophobicContact CG2-CG 3.86Å; I277-L288 HydrophobicContact CD1-CD1 4.15Å
278	N	89.6	Confident	93.4	Very high	130 Å²	130	53.3 Å²	53.3	70%	0.695	30%	0.299	S	S	*	.			trans	-53.4	133.1	177.2	-71.3	-38.5	0	0	0	111.7	D280 A281	N278-D280 PolarHBondContact O-N 2.88Å; N278-D280 VanDerWaalsContact O-N 3.08Å; N278-A281 WeakPolarHBondContact O-CB 3.19Å; N278-A281 PolarHBondContact O-N 3.44Å
279	M	85.1	Confident	93.2	Very high	27 Å²	27	53.5 Å²	53.5	13%	0.133	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.5	-179.3	63.4	179	63.4	0	0	114.5	I277 A281 V337 A425 K426	I277-M279 PolarHBondContact O-N 3.1Å; M279-A281 VanDerWaalsContact C-N 3.34Å; M279-V337 HydrophobicContact CB-CG1 3.91Å; M279-V337 HydrophobicContact CE-CG1 4.24Å; M279-A425 HydrophobicContact CE-CB 3.7Å; M279-A425 HydrophobicContact SD-CB 4.11Å; M279-K426 HydrophobicContact CE-CG 3.79Å
280	D	85.1	Confident	93.2	Very high	113 Å²	113	54.8 Å²	54.8	60%	0.604	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.5	176.8	-70.6	-55.3	0	0	0	113.1	N278 A282 K345	N278-D280 PolarHBondContact O-N 2.88Å; N278-D280 VanDerWaalsContact O-N 3.08Å; D280-A282 PolarHBondContact O-N 2.81Å; D280-K345 IonicContact OD1-NZ 3.91Å; D280-K345 PolarHBondContact OD1-NZ 2.9Å
281	A	91.7	Very high	93.2	Very high	39 Å²	39	54.7 Å²	54.7	32%	0.322	31%	0.311	S	S	.	.			trans	-82.8	59.8	177	0	0	0	0	0	111.2	I277 N278 M279 P283 A284 R285	I277-A281 HydrophobicContact CG2-CB 3.99Å; N278-A281 WeakPolarHBondContact O-CB 3.19Å; N278-A281 PolarHBondContact O-N 3.44Å; M279-A281 VanDerWaalsContact C-N 3.34Å; A281-P283 VanDerWaalsContact C-CD 3.45Å; A281-A284 HydrophobicContact CB-CB 4.33Å; A281-A284 PolarHBondContact O-N 3.38Å; A281-A284 VanDerWaalsContact O-N 3.11Å; A281-R285 PolarHBondContact O-N 2.66Å
282	A	89	Confident	93.2	Very high	26 Å²	26	54.9 Å²	54.9	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-53.3	-44.2	-173.9	0	0	0	0	0	114.5	D280 A284 V286 Y334	D280-A282 PolarHBondContact O-N 2.81Å; A282-A284 VanDerWaalsContact C-N 3.29Å; A282-A284 PolarHBondContact O-N 2.78Å; A282-V286 VanDerWaalsContact O-CG2 3.28Å; A282-V286 WeakPolarHBondContact O-CG2 3.32Å; A282-V286 PolarHBondContact O-N 2.98Å; A282-V286 VanDerWaalsContact O-N 3.13Å; A282-Y334 WeakPolarHBondContact CA-OH 3.32Å; A282-Y334 WeakPolarHBondContact CB-OH 3.32Å
283	P	93.2	Very high	93.3	Very high	104 Å²	104	54.3 Å²	54.3	68%	0.675	31%	0.313	S	S	*	.	H	α-helix	trans	-61.9	-36.1	179.9	-23.4	35.8	0	0	0	113.1	A281 A287	A281-P283 VanDerWaalsContact C-CD 3.45Å; P283-A287 WeakPolarHBondContact O-CB 3.45Å; P283-A287 PolarHBondContact O-N 3.45Å
284	A	94.3	Very high	93.4	Very high	46 Å²	46	56 Å²	56	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-69.1	-47.3	-177.8	0	0	0	0	0	111.9	I277 A281 A282 L288	I277-A284 HydrophobicContact CG2-CB 4.32Å; A281-A284 HydrophobicContact CB-CB 4.33Å; A281-A284 PolarHBondContact O-N 3.38Å; A281-A284 VanDerWaalsContact O-N 3.11Å; A282-A284 VanDerWaalsContact C-N 3.29Å; A282-A284 PolarHBondContact O-N 2.78Å; A284-L288 WeakPolarHBondContact O-CB 3.45Å; A284-L288 PolarHBondContact O-N 3.45Å
285	R	94.6	Very high	93.6	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-68.2	-40	179.8	-70.1	-175.1	72.7	169.7	-5.4	112.3	S274 I277 A281 G289 E333 Y334 D429	S274-R285 PolarHBondContact O-NE 2.66Å; S274-R285 VanDerWaalsContact O-NE 3.12Å; S274-R285 PolarHBondContact OG-NE 2.81Å; I277-R285 HydrophobicContact CB-CG 3.87Å; I277-R285 HydrophobicContact CG2-CG 3.86Å; A281-R285 PolarHBondContact O-N 2.66Å; R285-G289 PolarHBondContact O-N 3.29Å; R285-E333 IonicContact NH2-OE1 2.75Å; R285-E333 IonicContact NH2-OE2 3.4Å; R285-E333 PolarHBondContact NH2-OE2 2.92Å; R285-Y334 HydrophobicContact CB-CD1 4.22Å; R285-Y334 HydrophobicContact CB-CD2 3.62Å; R285-Y334 HydrophobicContact CB-CE1 4.33Å; R285-Y334 HydrophobicContact CB-CE2 3.68Å; R285-Y334 HydrophobicContact CB-CG 3.87Å; R285-Y334 VanDerWaalsContact CD-CD2 3.48Å; R285-Y334 HydrophobicContact CG-CD2 4.14Å; R285-Y334 HydrophobicContact CG-CE2 4.25Å; R285-D429 IonicContact CZ-OD1 2.77Å; R285-D429 VanDerWaalsContact CZ-OD1 3.32Å; R285-D429 IonicContact NH1-OD1 3.69Å; R285-D429 PolarHBondContact NH1-OD1 3.24Å; R285-D429 IonicContact NH1-OD2 3.04Å; R285-D429 PolarHBondContact NH1-OD2 3.42Å; R285-D429 IonicContact NH2-OD1 2.94Å; R285-D429 PolarHBondContact NH2-OD1 3.47Å
286	V	94.6	Very high	93.7	Very high	54 Å²	54	58.8 Å²	58.8	33%	0.327	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-48.6	175.8	175.2	0	0	0	0	110.9	A282 L288 G289 I290 Y334	A282-V286 VanDerWaalsContact O-CG2 3.28Å; A282-V286 WeakPolarHBondContact O-CG2 3.32Å; A282-V286 PolarHBondContact O-N 2.98Å; A282-V286 VanDerWaalsContact O-N 3.13Å; V286-L288 PolarHBondContact O-N 3.33Å; V286-G289 PolarHBondContact O-N 3.16Å; V286-I290 HydrophobicContact CG1-CD1 3.54Å; V286-I290 HydrophobicContact CG1-CG1 4.21Å; V286-I290 WeakPolarHBondContact O-CG1 3.44Å; V286-I290 PolarHBondContact O-N 2.95Å; V286-Y334 HydrophobicContact CG2-CD1 4.08Å; V286-Y334 HydrophobicContact CG2-CE1 3.29Å
287	A	95.6	Very high	93.8	Very high	52 Å²	52	53.4 Å²	53.4	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-48.7	-179.5	0	0	0	0	0	111.1	P283 G289 I290 T291	P283-A287 WeakPolarHBondContact O-CB 3.45Å; P283-A287 PolarHBondContact O-N 3.45Å; A287-G289 VanDerWaalsContact C-N 3.35Å; A287-G289 PolarHBondContact O-N 2.84Å; A287-I290 PolarHBondContact O-N 2.89Å; A287-T291 WeakPolarHBondContact O-CB 3.26Å; A287-T291 PolarHBondContact O-N 2.99Å; A287-T291 PolarHBondContact O-OG1 3.38Å
288	L	95	Very high	94	Very high	31 Å²	31	55.2 Å²	55.2	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-44.3	177.9	-174	160.9	0	0	0	111.9	L270 V273 I277 A284 V286 T292	L270-L288 HydrophobicContact CD2-CD1 4.18Å; L270-L288 HydrophobicContact CD2-CD2 3.97Å; L270-L288 HydrophobicContact CD2-CG 3.74Å; L270-L288 WeakPolarHBondContact O-CD2 3.31Å; V273-L288 HydrophobicContact CB-CD1 4.32Å; I277-L288 HydrophobicContact CD1-CD1 4.15Å; A284-L288 WeakPolarHBondContact O-CB 3.45Å; A284-L288 PolarHBondContact O-N 3.45Å; V286-L288 PolarHBondContact O-N 3.33Å; L288-T292 HydrophobicContact CD2-CG2 4.22Å; L288-T292 WeakPolarHBondContact O-CB 3.26Å; L288-T292 WeakPolarHBondContact O-CG2 3.5Å; L288-T292 PolarHBondContact O-N 3.41Å; L288-T292 PolarHBondContact O-OG1 2.84Å
289	G	94.7	Very high	94.2	Very high	4 Å²	4	50.6 Å²	50.6	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-42.1	178.6	0	0	0	0	0	113.6	R285 V286 A287 T292 V293	R285-G289 PolarHBondContact O-N 3.29Å; V286-G289 PolarHBondContact O-N 3.16Å; A287-G289 VanDerWaalsContact C-N 3.35Å; A287-G289 PolarHBondContact O-N 2.84Å; G289-T292 WeakPolarHBondContact CA-OG1 3.23Å; G289-T292 PolarHBondContact O-OG1 2.86Å; G289-V293 VanDerWaalsContact O-CG2 3.29Å; G289-V293 WeakPolarHBondContact O-CG2 3.3Å; G289-V293 PolarHBondContact O-N 3.28Å; G289-V293 VanDerWaalsContact O-N 3.17Å
290	I	96.3	Very high	94.7	Very high	94 Å²	94	50.4 Å²	50.4	48%	0.482	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-46.6	177.8	-68.2	174.8	0	0	0	110.5	V286 A287 T292 V293 L294	V286-I290 HydrophobicContact CG1-CD1 3.54Å; V286-I290 HydrophobicContact CG1-CG1 4.21Å; V286-I290 WeakPolarHBondContact O-CG1 3.44Å; V286-I290 PolarHBondContact O-N 2.95Å; A287-I290 PolarHBondContact O-N 2.89Å; I290-T292 VanDerWaalsContact C-N 3.35Å; I290-T292 PolarHBondContact O-N 3.41Å; I290-V293 PolarHBondContact O-N 3.08Å; I290-L294 WeakPolarHBondContact O-CB 3.05Å; I290-L294 PolarHBondContact O-N 3.49Å
291	T	97	Very high	95.1	Very high	83 Å²	83	48.1 Å²	48.1	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-44.4	-179.7	-60.6	0	0	0	0	110.8	A287 V293 L294 T295	A287-T291 WeakPolarHBondContact O-CB 3.26Å; A287-T291 PolarHBondContact O-N 2.99Å; A287-T291 PolarHBondContact O-OG1 3.38Å; T291-V293 PolarHBondContact O-N 3.43Å; T291-L294 PolarHBondContact O-N 3.2Å; T291-T295 WeakPolarHBondContact O-CB 3.47Å; T291-T295 PolarHBondContact O-N 3.19Å; T291-T295 PolarHBondContact O-OG1 2.84Å
292	T	97.1	Very high	95.1	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-42.8	178.7	46	0	0	0	0	112.6	I267 L270 L288 G289 I290 M296 V327	I267-T292 HydrophobicContact CG2-CG2 4.22Å; L270-T292 HydrophobicContact CB-CG2 4.34Å; L270-T292 HydrophobicContact CD2-CG2 3.3Å; L270-T292 HydrophobicContact CG-CG2 4.38Å; L288-T292 HydrophobicContact CD2-CG2 4.22Å; L288-T292 WeakPolarHBondContact O-CB 3.26Å; L288-T292 WeakPolarHBondContact O-CG2 3.5Å; L288-T292 PolarHBondContact O-N 3.41Å; L288-T292 PolarHBondContact O-OG1 2.84Å; G289-T292 WeakPolarHBondContact CA-OG1 3.23Å; G289-T292 PolarHBondContact O-OG1 2.86Å; I290-T292 VanDerWaalsContact C-N 3.35Å; I290-T292 PolarHBondContact O-N 3.41Å; T292-M296 VanDerWaalsContact O-CB 3.3Å; T292-M296 WeakPolarHBondContact O-CB 3.33Å; T292-M296 PolarHBondContact O-N 2.88Å; T292-V327 VanDerWaalsContact CB-CG1 3.46Å; T292-V327 WeakPolarHBondContact OG1-CG1 3.34Å
293	V	97.5	Very high	95.2	Very high	28 Å²	28	47.4 Å²	47.4	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-45.7	175.3	171.7	0	0	0	0	111.1	G289 I290 T291 M296 T297 L324 V327 F328 L331	G289-V293 VanDerWaalsContact O-CG2 3.29Å; G289-V293 WeakPolarHBondContact O-CG2 3.3Å; G289-V293 PolarHBondContact O-N 3.28Å; G289-V293 VanDerWaalsContact O-N 3.17Å; I290-V293 PolarHBondContact O-N 3.08Å; T291-V293 PolarHBondContact O-N 3.43Å; V293-M296 PolarHBondContact O-N 2.67Å; V293-T297 WeakPolarHBondContact O-CB 3.34Å; V293-T297 PolarHBondContact O-N 2.93Å; V293-T297 PolarHBondContact O-OG1 3.04Å; V293-L324 HydrophobicContact CG1-CD1 4.23Å; V293-V327 HydrophobicContact CB-CG1 4.39Å; V293-V327 HydrophobicContact CG2-CG1 3.71Å; V293-F328 HydrophobicContact CG2-CD2 4.39Å; V293-L331 HydrophobicContact CG2-CD2 4.45Å
294	L	97.1	Very high	95.2	Very high	110 Å²	110	48.2 Å²	48.2	58%	0.576	29%	0.292	S	S	*	.	H	α-helix	trans	-62.9	-49.8	179.4	179.1	62.1	0	0	0	111	I290 T291 M296 T297 T298	I290-L294 WeakPolarHBondContact O-CB 3.05Å; I290-L294 PolarHBondContact O-N 3.49Å; T291-L294 PolarHBondContact O-N 3.2Å; L294-M296 VanDerWaalsContact C-N 3.31Å; L294-M296 PolarHBondContact O-N 2.95Å; L294-T297 WeakPolarHBondContact O-CB 3.41Å; L294-T297 PolarHBondContact O-N 3.23Å; L294-T297 VanDerWaalsContact O-N 3.14Å; L294-T298 PolarHBondContact O-N 3.05Å; L294-T298 PolarHBondContact O-OG1 2.94Å; L294-T298 VanDerWaalsContact O-OG1 3.11Å
295	T	97.3	Very high	95	Very high	61 Å²	61	50 Å²	50	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-42.4	178.3	-54.9	0	0	0	0	111.3	I267 T291 T297 T298 Q299	I267-T295 HydrophobicContact CD1-CG2 3.51Å; I267-T295 HydrophobicContact CG1-CG2 4.2Å; T291-T295 WeakPolarHBondContact O-CB 3.47Å; T291-T295 PolarHBondContact O-N 3.19Å; T291-T295 PolarHBondContact O-OG1 2.84Å; T295-T297 VanDerWaalsContact C-N 3.34Å; T295-T297 PolarHBondContact O-N 3.44Å; T295-T298 PolarHBondContact O-N 3.47Å; T295-Q299 WeakPolarHBondContact O-CB 3.28Å; T295-Q299 PolarHBondContact O-N 2.94Å
296	M	96.6	Very high	94.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-38.4	177.3	-168.4	65.3	-156.4	0	0	112.1	I267 T292 V293 L294 Q299 S300 M320 C323 L324	I267-M296 HydrophobicContact CG2-CB 4.34Å; T292-M296 VanDerWaalsContact O-CB 3.3Å; T292-M296 WeakPolarHBondContact O-CB 3.33Å; T292-M296 PolarHBondContact O-N 2.88Å; V293-M296 PolarHBondContact O-N 2.67Å; L294-M296 VanDerWaalsContact C-N 3.31Å; L294-M296 PolarHBondContact O-N 2.95Å; M296-Q299 PolarHBondContact O-N 2.83Å; M296-S300 WeakPolarHBondContact O-CB 3.43Å; M296-S300 PolarHBondContact O-N 3.37Å; M296-M320 HydrophobicContact CE-CB 4.07Å; M296-M320 HydrophobicContact CE-CE 3.67Å; M296-M320 HydrophobicContact CE-CG 4.41Å; M296-M320 WeakPolarHBondContact CE-O 3.2Å; M296-M320 HydrophobicContact CE-SD 3.49Å; M296-M320 WeakPolarHBondContact CE-SD 3.35Å; M296-C323 HydrophobicContact CE-CB 3.23Å; M296-C323 HydrophobicContact SD-CB 3.95Å; M296-L324 HydrophobicContact CB-CD1 4.19Å; M296-L324 HydrophobicContact CG-CB 4.05Å; M296-L324 HydrophobicContact CG-CD1 4.15Å
297	T	96.1	Very high	94.5	Very high	67 Å²	67	51.5 Å²	51.5	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-44.8	175.6	-55.8	0	0	0	0	111.2	V293 L294 T295 Q299 S300 S301	V293-T297 WeakPolarHBondContact O-CB 3.34Å; V293-T297 PolarHBondContact O-N 2.93Å; V293-T297 PolarHBondContact O-OG1 3.04Å; L294-T297 WeakPolarHBondContact O-CB 3.41Å; L294-T297 PolarHBondContact O-N 3.23Å; L294-T297 VanDerWaalsContact O-N 3.14Å; T295-T297 VanDerWaalsContact C-N 3.34Å; T295-T297 PolarHBondContact O-N 3.44Å; T297-Q299 VanDerWaalsContact C-N 3.34Å; T297-Q299 PolarHBondContact O-N 3.27Å; T297-S300 PolarHBondContact O-N 3.06Å; T297-S301 PolarHBondContact O-N 3.16Å; T297-S301 VanDerWaalsContact O-N 3.08Å
298	T	96.4	Very high	94.4	Very high	84 Å²	84	50 Å²	50	52%	0.515	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-39.9	175.1	-56.2	0	0	0	0	111.8	L294 T295 S300 S301 G302	L294-T298 PolarHBondContact O-N 3.05Å; L294-T298 PolarHBondContact O-OG1 2.94Å; L294-T298 VanDerWaalsContact O-OG1 3.11Å; T295-T298 PolarHBondContact O-N 3.47Å; T298-S300 VanDerWaalsContact C-N 3.34Å; T298-S300 PolarHBondContact O-N 3.21Å; T298-S301 PolarHBondContact O-N 3.21Å; T298-S301 PolarHBondContact O-OG 3.47Å; T298-G302 PolarHBondContact O-N 3.16Å
299	Q	95.1	Very high	94.3	Very high	33 Å²	33	58.9 Å²	58.9	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-66.8	-37.7	177.2	-160.8	-175.3	10.6	0	0	111.6	M260 T295 M296 T297 G302 S303 M320	M260-Q299 PolarHBondContact O-NE2 3.31Å; M260-Q299 VanDerWaalsContact O-NE2 3.16Å; T295-Q299 WeakPolarHBondContact O-CB 3.28Å; T295-Q299 PolarHBondContact O-N 2.94Å; M296-Q299 PolarHBondContact O-N 2.83Å; T297-Q299 VanDerWaalsContact C-N 3.34Å; T297-Q299 PolarHBondContact O-N 3.27Å; Q299-G302 PolarHBondContact O-N 3.29Å; Q299-S303 PolarHBondContact O-N 2.91Å; Q299-M320 HydrophobicContact CB-CE 3.67Å; Q299-M320 HydrophobicContact CG-CE 3.57Å
300	S	94.3	Very high	94.3	Very high	22 Å²	22	60.3 Å²	60.3	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-67.4	-33.3	177.1	176.1	0	0	0	0	113.5	M296 T297 T298 S303 R304 M320	M296-S300 WeakPolarHBondContact O-CB 3.43Å; M296-S300 PolarHBondContact O-N 3.37Å; T297-S300 PolarHBondContact O-N 3.06Å; T298-S300 VanDerWaalsContact C-N 3.34Å; T298-S300 PolarHBondContact O-N 3.21Å; S300-S303 PolarHBondContact O-OG 3.19Å; S300-S303 VanDerWaalsContact O-OG 3.11Å; S300-R304 PolarHBondContact O-NE 3.04Å; S300-R304 PolarHBondContact O-NH2 3.42Å; S300-M320 VanDerWaalsContact N-CE 3.31Å
301	S	93.3	Very high	94.2	Very high	65 Å²	65	62.2 Å²	62.2	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-74	-40.3	170.3	60	0	0	0	0	111.4	T297 T298 S303 R304 A305	T297-S301 PolarHBondContact O-N 3.16Å; T297-S301 VanDerWaalsContact O-N 3.08Å; T298-S301 PolarHBondContact O-N 3.21Å; T298-S301 PolarHBondContact O-OG 3.47Å; S301-S303 PolarHBondContact O-N 2.92Å; S301-R304 PolarHBondContact O-N 3.22Å; S301-A305 PolarHBondContact O-N 3Å
302	G	92.9	Very high	94.1	Very high	45 Å²	45	62.1 Å²	62.1	46%	0.464	36%	0.362	S	S	.	.	H	α-helix	trans	-59.5	-41.2	176.9	0	0	0	0	0	113.6	T298 Q299 R304 A305	T298-G302 PolarHBondContact O-N 3.16Å; Q299-G302 PolarHBondContact O-N 3.29Å; G302-R304 PolarHBondContact O-N 3.38Å; G302-R304 VanDerWaalsContact O-N 3.16Å; G302-A305 WeakPolarHBondContact O-CB 3.43Å; G302-A305 PolarHBondContact O-N 3.47Å
303	S	91.2	Very high	94	Very high	5 Å²	5	66.5 Å²	66.5	4%	0.035	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.2	178.8	66.3	0	0	0	0	114.1	Q299 S300 S301	Q299-S303 PolarHBondContact O-N 2.91Å; S300-S303 PolarHBondContact O-OG 3.19Å; S300-S303 VanDerWaalsContact O-OG 3.11Å; S301-S303 PolarHBondContact O-N 2.92Å
304	R	91.6	Very high	93.9	Very high	122 Å²	122	65.7 Å²	65.7	46%	0.46	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-7.2	179.4	-67.8	178.5	-71.2	170.4	-1.7	113.4	S300 S301 G302 S306 L307	S300-R304 PolarHBondContact O-NE 3.04Å; S300-R304 PolarHBondContact O-NH2 3.42Å; S301-R304 PolarHBondContact O-N 3.22Å; G302-R304 PolarHBondContact O-N 3.38Å; G302-R304 VanDerWaalsContact O-N 3.16Å; R304-S306 VanDerWaalsContact C-N 3.32Å; R304-S306 PolarHBondContact O-N 3.13Å; R304-L307 PolarHBondContact O-N 2.97Å
305	A	90.4	Very high	93.8	Very high	84 Å²	84	60.5 Å²	60.5	69%	0.694	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-33	-173.1	0	0	0	0	0	113.3	S301 G302	S301-A305 PolarHBondContact O-N 3Å; G302-A305 WeakPolarHBondContact O-CB 3.43Å; G302-A305 PolarHBondContact O-N 3.47Å
306	S	86.9	Confident	93.7	Very high	72 Å²	72	57.6 Å²	57.6	50%	0.503	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	10.2	-179.6	64.1	0	0	0	0	113.8	T87 R304	T87-S306 WeakPolarHBondContact CG2-O 3.26Å; R304-S306 VanDerWaalsContact C-N 3.32Å; R304-S306 PolarHBondContact O-N 3.13Å
307	L	92.1	Very high	93.6	Very high	13 Å²	13	59 Å²	59	7%	0.068	35%	0.345	C	S	.	.	S	Bend	trans	-113.2	152.2	-177.4	-66.2	177.9	0	0	0	111.1	E86 F178 R304 K314	E86-L307 HydrophobicContact CB-CD2 4.29Å; E86-L307 HydrophobicContact CG-CD2 4.42Å; F178-L307 HydrophobicContact CD1-CD1 3.92Å; F178-L307 HydrophobicContact CD2-CD2 4.23Å; F178-L307 HydrophobicContact CE1-CD1 3.62Å; F178-L307 HydrophobicContact CE1-CD2 4.4Å; F178-L307 HydrophobicContact CE2-CD1 4.39Å; F178-L307 HydrophobicContact CE2-CD2 3.71Å; F178-L307 HydrophobicContact CG-CD1 4.41Å; F178-L307 HydrophobicContact CZ-CD1 3.85Å; F178-L307 HydrophobicContact CZ-CD2 3.79Å; F178-L307 HydrophobicContact CZ-CG 4.28Å; R304-L307 PolarHBondContact O-N 2.97Å; L307-K314 HydrophobicContact CD1-CD 4.39Å
308	P	93.9	Very high	93.7	Very high	20 Å²	20	58.8 Å²	58.8	13%	0.13	34%	0.341	C	S	.	.			trans	-63.9	150.4	171.9	29.5	-35.5	0	0	0	110.3	E86 M89 L175 V310	E86-P308 VanDerWaalsContact O-CD 3.3Å; E86-P308 WeakPolarHBondContact O-CD 3.19Å; E86-P308 WeakPolarHBondContact O-CG 3.3Å; M89-P308 HydrophobicContact CE-CB 4.26Å; M89-P308 HydrophobicContact CE-CG 4.05Å; L175-P308 HydrophobicContact CD1-CG 3.56Å; P308-V310 VanDerWaalsContact C-N 3.3Å; P308-V310 HydrophobicContact CB-CG1 4.49Å; P308-V310 HydrophobicContact CG-CG1 4.14Å; P308-V310 PolarHBondContact O-N 3.08Å
309	K	92.4	Very high	93.7	Very high	218 Å²	218	54.9 Å²	54.9	95%	0.948	32%	0.317	S	S	*	.			trans	-75.5	81.7	177.7	-65.4	179.4	-177	176	0	110.2
310	V	94.1	Very high	93.8	Very high	34 Å²	34	53.3 Å²	53.3	21%	0.206	31%	0.31	C	S	.	.			trans	-88.1	146.3	174.9	-62.4	0	0	0	0	111.5	P308 Y312 K314	P308-V310 VanDerWaalsContact C-N 3.3Å; P308-V310 HydrophobicContact CB-CG1 4.49Å; P308-V310 HydrophobicContact CG-CG1 4.14Å; P308-V310 PolarHBondContact O-N 3.08Å; V310-Y312 HydrophobicContact CB-CD1 4.3Å; V310-Y312 HydrophobicContact CB-CE1 3.91Å; V310-Y312 HydrophobicContact CB-CE2 4.18Å; V310-Y312 HydrophobicContact CG1-CE1 4.17Å; V310-Y312 HydrophobicContact CG2-CD2 4.27Å; V310-Y312 HydrophobicContact CG2-CE2 3.9Å; V310-K314 HydrophobicContact CG2-CD 3.97Å; V310-K314 HydrophobicContact CG2-CG 4.32Å
311	S	94.7	Very high	93.9	Very high	134 Å²	134	55.1 Å²	55.1	94%	0.937	33%	0.326	S	S	*	.	S	Bend	trans	-86.5	-16.2	-176.3	-54.6	0	0	0	0	114.4
312	Y	95.1	Very high	94.1	Very high	82 Å²	82	53.5 Å²	53.5	32%	0.322	31%	0.313	S	S	.	.	S	Bend	trans	-88.9	159.4	179	53.7	-102.7	0	0	0	112	L175 K176 V310 K314	L175-Y312 HydrophobicContact CB-CE2 4.22Å; L175-Y312 PolarHBondContact N-OH 3.35Å; K176-Y312 HydrophobicContact CG-CD2 3.95Å; K176-Y312 HydrophobicContact CG-CE2 4.04Å; V310-Y312 HydrophobicContact CB-CD1 4.3Å; V310-Y312 HydrophobicContact CB-CE1 3.91Å; V310-Y312 HydrophobicContact CB-CE2 4.18Å; V310-Y312 HydrophobicContact CG1-CE1 4.17Å; V310-Y312 HydrophobicContact CG2-CD2 4.27Å; V310-Y312 HydrophobicContact CG2-CE2 3.9Å; Y312-K314 HydrophobicContact CD2-CG 4.39Å; Y312-K314 HydrophobicContact CE2-CG 4.24Å
313	V	94.9	Very high	94.4	Very high	97 Å²	97	51.4 Å²	51.4	59%	0.588	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-77.6	133	178.4	-179.1	0	0	0	0	110.1	D317 I318	V313-D317 HydrophobicContact CG1-CB 4.2Å; V313-I318 HydrophobicContact CG1-CD1 3.98Å; V313-I318 HydrophobicContact CG1-CG1 3.65Å
314	K	95.1	Very high	94.7	Very high	11 Å²	11	53.7 Å²	53.7	5%	0.048	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-101.5	159.8	175.9	-57.2	177.3	-64.3	-53.5	0	111.5	L175 K176 F178 L307 V310 Y312 I316 D317 I318	L175-K314 HydrophobicContact CB-CD 4.11Å; L175-K314 WeakPolarHBondContact O-CG 3.32Å; K176-K314 CarbonylContact O-C 3.57Å; K176-K314 WeakPolarHBondContact O-CA 3.14Å; F178-K314 HydrophobicContact CB-CD 4.42Å; L307-K314 HydrophobicContact CD1-CD 4.39Å; V310-K314 HydrophobicContact CG2-CD 3.97Å; V310-K314 HydrophobicContact CG2-CG 4.32Å; Y312-K314 HydrophobicContact CD2-CG 4.39Å; Y312-K314 HydrophobicContact CE2-CG 4.24Å; K314-I316 VanDerWaalsContact C-N 3.27Å; K314-I316 HydrophobicContact CB-CG2 4.13Å; K314-I316 PolarHBondContact O-N 3.35Å; K314-D317 WeakPolarHBondContact CB-OD2 3.33Å; K314-D317 PolarHBondContact N-OD2 3.22Å; K314-D317 IonicContact NZ-OD1 2.76Å; K314-D317 PolarHBondContact NZ-OD1 3.4Å; K314-D317 IonicContact NZ-OD2 3.32Å; K314-D317 PolarHBondContact NZ-OD2 3.49Å; K314-D317 WeakPolarHBondContact O-CB 3.48Å; K314-D317 PolarHBondContact O-N 3.34Å; K314-I318 PolarHBondContact O-N 3.44Å
315	A	95.2	Very high	95	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.9	-38.6	176.5	0	0	0	0	0	113	K176 F178 D317 I318 W319 Y447 Y451	K176-A315 PolarHBondContact O-N 3.27Å; F178-A315 WeakPolarHBondContact O-CB 3.34Å; A315-D317 VanDerWaalsContact C-N 3.33Å; A315-D317 PolarHBondContact O-N 2.97Å; A315-I318 PolarHBondContact O-N 3.46Å; A315-W319 PolarHBondContact O-N 3.4Å; A315-Y447 WeakPolarHBondContact O-CE2 3.38Å; A315-Y447 PolarHBondContact O-OH 3.41Å; A315-Y451 HydrophobicContact CB-CD1 3.83Å; A315-Y451 HydrophobicContact CB-CD2 4.3Å; A315-Y451 HydrophobicContact CB-CE1 3.35Å; A315-Y451 HydrophobicContact CB-CE2 3.88Å; A315-Y451 HydrophobicContact CB-CG 4.29Å
316	I	95.4	Very high	95.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-34.4	173.7	-167.5	59.2	0	0	0	112.7	F178 M260 Y261 K314 I318 W319 M320	F178-I316 HydrophobicContact CD1-CB 4.09Å; F178-I316 HydrophobicContact CD1-CG2 3.63Å; F178-I316 HydrophobicContact CE1-CB 4.41Å; F178-I316 HydrophobicContact CE1-CG2 4.04Å; F178-I316 PolarHBondContact O-N 2.86Å; F178-I316 VanDerWaalsContact O-N 3.08Å; M260-I316 HydrophobicContact CB-CD1 4.4Å; M260-I316 HydrophobicContact SD-CD1 4.22Å; M260-I316 HydrophobicContact SD-CG1 4.33Å; Y261-I316 HydrophobicContact CE2-CD1 4.26Å; K314-I316 VanDerWaalsContact C-N 3.27Å; K314-I316 HydrophobicContact CB-CG2 4.13Å; K314-I316 PolarHBondContact O-N 3.35Å; I316-I318 VanDerWaalsContact C-N 3.33Å; I316-I318 PolarHBondContact O-N 2.95Å; I316-W319 PolarHBondContact O-N 2.98Å; I316-M320 HydrophobicContact CD1-CG 4.31Å; I316-M320 HydrophobicContact CG1-CG 4.25Å; I316-M320 VanDerWaalsContact O-CG 3.26Å; I316-M320 WeakPolarHBondContact O-CG 3.35Å; I316-M320 PolarHBondContact O-N 2.96Å
317	D	95.5	Very high	95.9	Very high	30 Å²	30	46.8 Å²	46.8	16%	0.16	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-39	-179.8	-60	-37.3	0	0	0	110.1	V313 K314 A315 M320 A321	V313-D317 HydrophobicContact CG1-CB 4.2Å; K314-D317 WeakPolarHBondContact CB-OD2 3.33Å; K314-D317 PolarHBondContact N-OD2 3.22Å; K314-D317 IonicContact NZ-OD1 2.76Å; K314-D317 PolarHBondContact NZ-OD1 3.4Å; K314-D317 IonicContact NZ-OD2 3.32Å; K314-D317 PolarHBondContact NZ-OD2 3.49Å; K314-D317 WeakPolarHBondContact O-CB 3.48Å; K314-D317 PolarHBondContact O-N 3.34Å; A315-D317 VanDerWaalsContact C-N 3.33Å; A315-D317 PolarHBondContact O-N 2.97Å; D317-M320 PolarHBondContact O-N 3.48Å; D317-A321 WeakPolarHBondContact O-CB 3.45Å; D317-A321 PolarHBondContact O-N 2.91Å
318	I	96.6	Very high	96.1	Very high	63 Å²	63	50.8 Å²	50.8	32%	0.323	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-47	175	-68	166.2	0	0	0	110.4	V313 K314 A315 I316 M320 A321 V322 Y451	V313-I318 HydrophobicContact CG1-CD1 3.98Å; V313-I318 HydrophobicContact CG1-CG1 3.65Å; K314-I318 PolarHBondContact O-N 3.44Å; A315-I318 PolarHBondContact O-N 3.46Å; I316-I318 VanDerWaalsContact C-N 3.33Å; I316-I318 PolarHBondContact O-N 2.95Å; I318-M320 PolarHBondContact O-N 2.67Å; I318-A321 PolarHBondContact O-N 3.17Å; I318-V322 HydrophobicContact CG2-CG2 4.41Å; I318-V322 WeakPolarHBondContact O-CB 3.47Å; I318-V322 VanDerWaalsContact O-CG2 3.27Å; I318-V322 WeakPolarHBondContact O-CG2 3.33Å; I318-V322 PolarHBondContact O-N 3.28Å; I318-Y451 VanDerWaalsContact CD1-OH 3.26Å; I318-Y451 WeakPolarHBondContact CD1-OH 3.49Å
319	W	97.3	Very high	96.3	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.011	28%	0.28	C	S	.	.	H	α-helix	trans	-57	-51.4	176.1	175.3	-92.5	0	0	0	111.8	Y261 S264 A315 I316 A321 V322 C323 F440 F443 N444 Y447	Y261-W319 AromaticContact CD1-CD2 3.55Å; Y261-W319 HydrophobicContact CD1-CD2 3.55Å; Y261-W319 AromaticContact CD1-CE2 3.43Å; Y261-W319 VanDerWaalsContact CD1-CE2 3.43Å; Y261-W319 AromaticContact CD1-CE3 3.95Å; Y261-W319 HydrophobicContact CD1-CE3 3.95Å; Y261-W319 AromaticContact CD1-CG 3.99Å; Y261-W319 HydrophobicContact CD1-CG 3.99Å; Y261-W319 HydrophobicContact CD1-CH2 4.11Å; Y261-W319 AromaticContact CD1-CZ2 3.74Å; Y261-W319 HydrophobicContact CD1-CZ2 3.74Å; Y261-W319 HydrophobicContact CD1-CZ3 4.21Å; Y261-W319 AromaticContact CD1-NE1 3.75Å; Y261-W319 HydrophobicContact CE1-CB 4.21Å; Y261-W319 AromaticContact CE1-CD2 3.55Å; Y261-W319 HydrophobicContact CE1-CD2 3.55Å; Y261-W319 AromaticContact CE1-CE2 3.95Å; Y261-W319 AromaticContact CE1-CE3 3.85Å; Y261-W319 HydrophobicContact CE1-CE3 3.85Å; Y261-W319 AromaticContact CE1-CG 3.69Å; Y261-W319 HydrophobicContact CE1-CG 3.69Å; Y261-W319 HydrophobicContact CE1-CZ3 4.45Å; S264-W319 PolarHBondContact OG-NE1 3.33Å; A315-W319 PolarHBondContact O-N 3.4Å; I316-W319 PolarHBondContact O-N 2.98Å; W319-A321 PolarHBondContact O-N 3.41Å; W319-V322 PolarHBondContact O-N 3.03Å; W319-C323 WeakPolarHBondContact O-CB 3.26Å; W319-C323 PolarHBondContact O-N 3.28Å; W319-C323 PolarHBondContact O-SG 2.89Å; W319-C323 VanDerWaalsContact O-SG 3.35Å; W319-F440 HydrophobicContact CH2-CZ 4.29Å; W319-F443 HydrophobicContact CD2-CE1 4.49Å; W319-F443 AromaticContact CE3-CE1 3.69Å; W319-F443 HydrophobicContact CE3-CE1 3.69Å; W319-F443 HydrophobicContact CE3-CZ 4.03Å; W319-F443 AromaticContact CZ3-CE1 3.83Å; W319-F443 HydrophobicContact CZ3-CE1 3.83Å; W319-N444 VanDerWaalsContact CH2-OD1 3.24Å; W319-N444 WeakPolarHBondContact CH2-OD1 3.43Å; W319-N444 WeakPolarHBondContact CZ3-OD1 3.35Å; W319-Y447 HydrophobicContact CB-CE2 3.96Å; W319-Y447 AromaticContact CE3-CD1 3.87Å; W319-Y447 HydrophobicContact CE3-CD1 3.87Å; W319-Y447 HydrophobicContact CE3-CD2 4.39Å; W319-Y447 AromaticContact CE3-CE1 3.95Å; W319-Y447 HydrophobicContact CE3-CE1 3.95Å; W319-Y447 HydrophobicContact CE3-CE2 4.44Å; W319-Y447 HydrophobicContact CE3-CG 4.11Å; W319-Y447 HydrophobicContact CZ3-CD1 4.23Å
320	M	96.8	Very high	96.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-37	-177.9	-62.6	-59.1	-87.8	0	0	112.2	M296 Q299 S300 I316 D317 I318 L324	M296-M320 HydrophobicContact CE-CB 4.07Å; M296-M320 HydrophobicContact CE-CE 3.67Å; M296-M320 HydrophobicContact CE-CG 4.41Å; M296-M320 WeakPolarHBondContact CE-O 3.2Å; M296-M320 HydrophobicContact CE-SD 3.49Å; M296-M320 WeakPolarHBondContact CE-SD 3.35Å; Q299-M320 HydrophobicContact CB-CE 3.67Å; Q299-M320 HydrophobicContact CG-CE 3.57Å; S300-M320 VanDerWaalsContact N-CE 3.31Å; I316-M320 HydrophobicContact CD1-CG 4.31Å; I316-M320 HydrophobicContact CG1-CG 4.25Å; I316-M320 VanDerWaalsContact O-CG 3.26Å; I316-M320 WeakPolarHBondContact O-CG 3.35Å; I316-M320 PolarHBondContact O-N 2.96Å; D317-M320 PolarHBondContact O-N 3.48Å; I318-M320 PolarHBondContact O-N 2.67Å; M320-L324 VanDerWaalsContact O-CB 3.28Å; M320-L324 WeakPolarHBondContact O-CB 3.34Å; M320-L324 PolarHBondContact O-N 2.94Å
321	A	97.2	Very high	96.4	Very high	60 Å²	60	41.8 Å²	41.8	50%	0.496	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-43	176.9	0	0	0	0	0	112.1	D317 I318 W319 L324 L325	D317-A321 WeakPolarHBondContact O-CB 3.45Å; D317-A321 PolarHBondContact O-N 2.91Å; I318-A321 PolarHBondContact O-N 3.17Å; W319-A321 PolarHBondContact O-N 3.41Å; A321-L324 PolarHBondContact O-N 3.2Å; A321-L325 WeakPolarHBondContact O-CB 3.37Å; A321-L325 PolarHBondContact O-N 3.08Å
322	V	97.8	Very high	96.5	Very high	31 Å²	31	39.8 Å²	39.8	19%	0.188	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-46	177.6	174.6	0	0	0	0	110.6	I318 W319 L324 L325 F326 F443	I318-V322 HydrophobicContact CG2-CG2 4.41Å; I318-V322 WeakPolarHBondContact O-CB 3.47Å; I318-V322 VanDerWaalsContact O-CG2 3.27Å; I318-V322 WeakPolarHBondContact O-CG2 3.33Å; I318-V322 PolarHBondContact O-N 3.28Å; W319-V322 PolarHBondContact O-N 3.03Å; V322-L324 VanDerWaalsContact C-N 3.29Å; V322-L324 PolarHBondContact O-N 3.45Å; V322-L325 WeakPolarHBondContact O-CB 3.36Å; V322-L325 PolarHBondContact O-N 3.35Å; V322-L325 VanDerWaalsContact O-N 3.08Å; V322-F326 HydrophobicContact CG1-CD2 3.79Å; V322-F326 HydrophobicContact CG1-CE2 3.74Å; V322-F326 WeakPolarHBondContact O-CD2 3.17Å; V322-F326 PolarHBondContact O-N 3.16Å; V322-F443 HydrophobicContact CB-CD2 4.47Å; V322-F443 HydrophobicContact CB-CE1 4.05Å; V322-F443 HydrophobicContact CB-CE2 3.92Å; V322-F443 HydrophobicContact CB-CZ 3.68Å; V322-F443 HydrophobicContact CG1-CD1 3.76Å; V322-F443 HydrophobicContact CG1-CD2 3.81Å; V322-F443 HydrophobicContact CG1-CE1 3.68Å; V322-F443 HydrophobicContact CG1-CE2 3.75Å; V322-F443 HydrophobicContact CG1-CG 3.81Å; V322-F443 HydrophobicContact CG1-CZ 3.68Å; V322-F443 HydrophobicContact CG2-CD2 4.36Å; V322-F443 HydrophobicContact CG2-CE2 3.72Å; V322-F443 HydrophobicContact CG2-CZ 3.94Å
323	C	98.1	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-41.4	174.6	-74.4	0	0	0	0	112	V268 M296 W319 F326 V327	V268-C323 HydrophobicContact CG2-CB 3.79Å; M296-C323 HydrophobicContact CE-CB 3.23Å; M296-C323 HydrophobicContact SD-CB 3.95Å; W319-C323 WeakPolarHBondContact O-CB 3.26Å; W319-C323 PolarHBondContact O-N 3.28Å; W319-C323 PolarHBondContact O-SG 2.89Å; W319-C323 VanDerWaalsContact O-SG 3.35Å; C323-F326 PolarHBondContact O-N 3.4Å; C323-V327 WeakPolarHBondContact O-CG2 3.48Å; C323-V327 PolarHBondContact O-N 3.39Å; C323-V327 VanDerWaalsContact O-N 3.1Å
324	L	97.4	Very high	96.4	Very high	53 Å²	53	32.4 Å²	32.4	28%	0.277	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-42.4	173.4	-179.2	62.1	0	0	0	112.2	V293 M296 M320 A321 V322 V327 F328	V293-L324 HydrophobicContact CG1-CD1 4.23Å; M296-L324 HydrophobicContact CB-CD1 4.19Å; M296-L324 HydrophobicContact CG-CB 4.05Å; M296-L324 HydrophobicContact CG-CD1 4.15Å; M320-L324 VanDerWaalsContact O-CB 3.28Å; M320-L324 WeakPolarHBondContact O-CB 3.34Å; M320-L324 PolarHBondContact O-N 2.94Å; A321-L324 PolarHBondContact O-N 3.2Å; V322-L324 VanDerWaalsContact C-N 3.29Å; V322-L324 PolarHBondContact O-N 3.45Å; L324-V327 PolarHBondContact O-N 2.96Å; L324-F328 VanDerWaalsContact O-CB 3.24Å; L324-F328 WeakPolarHBondContact O-CB 3.27Å; L324-F328 PolarHBondContact O-N 3.29Å
325	L	97.9	Very high	96.3	Very high	106 Å²	106	34.2 Å²	34.2	56%	0.555	19%	0.193	S	C	*	.	H	α-helix	trans	-58.8	-47.6	176.1	-172.7	77.9	0	0	0	111.1	A321 V322 V327 F328 S329	A321-L325 WeakPolarHBondContact O-CB 3.37Å; A321-L325 PolarHBondContact O-N 3.08Å; V322-L325 WeakPolarHBondContact O-CB 3.36Å; V322-L325 PolarHBondContact O-N 3.35Å; V322-L325 VanDerWaalsContact O-N 3.08Å; L325-V327 PolarHBondContact O-N 3.11Å; L325-F328 PolarHBondContact O-N 2.96Å; L325-S329 WeakPolarHBondContact O-CB 3.39Å; L325-S329 PolarHBondContact O-N 3.03Å; L325-S329 PolarHBondContact O-OG 3.08Å
326	F	97.8	Very high	96.1	Very high	28 Å²	28	36.4 Å²	36.4	12%	0.123	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-45.5	179	-90.3	-92.6	0	0	0	112.6	V268 V322 C323 S329 A330 F436 A439 F440	V268-F326 HydrophobicContact CG1-CB 4.33Å; V322-F326 HydrophobicContact CG1-CD2 3.79Å; V322-F326 HydrophobicContact CG1-CE2 3.74Å; V322-F326 WeakPolarHBondContact O-CD2 3.17Å; V322-F326 PolarHBondContact O-N 3.16Å; C323-F326 PolarHBondContact O-N 3.4Å; F326-S329 PolarHBondContact O-N 3.28Å; F326-A330 PolarHBondContact O-N 2.6Å; F326-F436 HydrophobicContact CD1-CD1 4.06Å; F326-A439 HydrophobicContact CE1-CB 4.03Å; F326-A439 HydrophobicContact CZ-CB 3.97Å; F326-F440 HydrophobicContact CD1-CB 4.17Å; F326-F440 HydrophobicContact CD1-CD2 4.06Å; F326-F440 AromaticContact CD2-CD2 3.71Å; F326-F440 HydrophobicContact CD2-CD2 3.71Å; F326-F440 HydrophobicContact CD2-CE2 4.28Å; F326-F440 HydrophobicContact CE1-CB 3.73Å; F326-F440 HydrophobicContact CE1-CD2 4.13Å; F326-F440 HydrophobicContact CE1-CG 4.43Å; F326-F440 AromaticContact CE2-CD2 3.79Å; F326-F440 HydrophobicContact CE2-CD2 3.79Å; F326-F440 AromaticContact CG-CD2 3.85Å; F326-F440 HydrophobicContact CG-CD2 3.85Å; F326-F440 HydrophobicContact CZ-CB 3.97Å; F326-F440 HydrophobicContact CZ-CD2 4Å
327	V	97.8	Very high	95.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-42	178.3	173.6	0	0	0	0	110.9	I267 V268 T292 V293 C323 L324 L325 A330 L331	I267-V327 HydrophobicContact CG2-CG2 4.22Å; V268-V327 HydrophobicContact CG2-CG2 4Å; T292-V327 VanDerWaalsContact CB-CG1 3.46Å; T292-V327 WeakPolarHBondContact OG1-CG1 3.34Å; V293-V327 HydrophobicContact CB-CG1 4.39Å; V293-V327 HydrophobicContact CG2-CG1 3.71Å; C323-V327 WeakPolarHBondContact O-CG2 3.48Å; C323-V327 PolarHBondContact O-N 3.39Å; C323-V327 VanDerWaalsContact O-N 3.1Å; L324-V327 PolarHBondContact O-N 2.96Å; L325-V327 PolarHBondContact O-N 3.11Å; V327-A330 WeakPolarHBondContact O-CB 3.36Å; V327-A330 PolarHBondContact O-N 2.92Å; V327-L331 PolarHBondContact O-N 3.44Å
328	F	97.4	Very high	95.6	Very high	97 Å²	97	36.8 Å²	36.8	43%	0.425	21%	0.214	S	C	.	.	H	α-helix	trans	-65.7	-40.3	175.7	-173.4	-104.6	0	0	0	112.1	V293 L324 L325 A330 L331 L332	V293-F328 HydrophobicContact CG2-CD2 4.39Å; L324-F328 VanDerWaalsContact O-CB 3.24Å; L324-F328 WeakPolarHBondContact O-CB 3.27Å; L324-F328 PolarHBondContact O-N 3.29Å; L325-F328 PolarHBondContact O-N 2.96Å; F328-A330 VanDerWaalsContact C-N 3.28Å; F328-A330 PolarHBondContact O-N 3.44Å; F328-L331 WeakPolarHBondContact O-CB 3.39Å; F328-L331 PolarHBondContact O-N 3.28Å; F328-L331 VanDerWaalsContact O-N 3.12Å; F328-L332 HydrophobicContact CD1-CD1 3.86Å; F328-L332 HydrophobicContact CD1-CG 4.17Å; F328-L332 HydrophobicContact CE1-CD1 3.58Å; F328-L332 HydrophobicContact CE1-CD2 4.25Å; F328-L332 HydrophobicContact CE1-CG 3.9Å; F328-L332 HydrophobicContact CZ-CD1 4.45Å; F328-L332 HydrophobicContact CZ-CD2 4.34Å; F328-L332 HydrophobicContact CZ-CG 4.37Å; F328-L332 PolarHBondContact O-N 3.5Å
329	S	96.9	Very high	95.2	Very high	40 Å²	40	39.5 Å²	39.5	28%	0.28	22%	0.223	S	C	.	.	H	α-helix	trans	-62	-34.1	174.3	-67.3	0	0	0	0	112.4	L325 F326 L331 L332 E333	L325-S329 WeakPolarHBondContact O-CB 3.39Å; L325-S329 PolarHBondContact O-N 3.03Å; L325-S329 PolarHBondContact O-OG 3.08Å; F326-S329 PolarHBondContact O-N 3.28Å; S329-L331 VanDerWaalsContact C-N 3.34Å; S329-L332 PolarHBondContact O-N 3.31Å; S329-E333 WeakPolarHBondContact O-CB 3.41Å; S329-E333 PolarHBondContact O-N 3.34Å
330	A	95.5	Very high	94.6	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-34.9	173.7	0	0	0	0	0	112.4	F275 F326 V327 F328 Y334 F436	F275-A330 HydrophobicContact CE1-CB 4.08Å; F275-A330 HydrophobicContact CZ-CB 3.83Å; F326-A330 PolarHBondContact O-N 2.6Å; V327-A330 WeakPolarHBondContact O-CB 3.36Å; V327-A330 PolarHBondContact O-N 2.92Å; F328-A330 VanDerWaalsContact C-N 3.28Å; F328-A330 PolarHBondContact O-N 3.44Å; A330-Y334 PolarHBondContact O-N 2.98Å; A330-F436 HydrophobicContact CB-CE1 4.29Å
331	L	94.6	Very high	93.9	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-68.9	-42.1	172.8	179.1	63.7	0	0	0	111.8	V293 V327 F328 S329 E333 Y334 A335	V293-L331 HydrophobicContact CG2-CD2 4.45Å; V327-L331 PolarHBondContact O-N 3.44Å; F328-L331 WeakPolarHBondContact O-CB 3.39Å; F328-L331 PolarHBondContact O-N 3.28Å; F328-L331 VanDerWaalsContact O-N 3.12Å; S329-L331 VanDerWaalsContact C-N 3.34Å; L331-E333 VanDerWaalsContact C-N 3.33Å; L331-Y334 PolarHBondContact O-N 3.15Å; L331-A335 PolarHBondContact O-N 3.48Å
332	L	95.6	Very high	93	Very high	92 Å²	92	45.5 Å²	45.5	48%	0.482	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-38	175.7	-71.9	-179.8	0	0	0	112.5	F328 S329 Y334 A335 A336	F328-L332 HydrophobicContact CD1-CD1 3.86Å; F328-L332 HydrophobicContact CD1-CG 4.17Å; F328-L332 HydrophobicContact CE1-CD1 3.58Å; F328-L332 HydrophobicContact CE1-CD2 4.25Å; F328-L332 HydrophobicContact CE1-CG 3.9Å; F328-L332 HydrophobicContact CZ-CD1 4.45Å; F328-L332 HydrophobicContact CZ-CD2 4.34Å; F328-L332 HydrophobicContact CZ-CG 4.37Å; F328-L332 PolarHBondContact O-N 3.5Å; S329-L332 PolarHBondContact O-N 3.31Å; L332-Y334 VanDerWaalsContact C-N 3.33Å; L332-Y334 PolarHBondContact O-N 2.98Å; L332-A335 WeakPolarHBondContact O-CB 3.35Å; L332-A335 PolarHBondContact O-N 3.18Å; L332-A336 PolarHBondContact O-N 3.42Å
333	E	95.7	Very high	92	Very high	15 Å²	15	49.1 Å²	49.1	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-49.4	173.9	-176.7	-79	162.4	0	0	110.6	F275 R285 S329 L331 A335 A336 V337 I428 D429 S432 F436	F275-E333 HydrophobicContact CD1-CG 4.42Å; F275-E333 WeakPolarHBondContact CD1-OE2 3.41Å; F275-E333 HydrophobicContact CE1-CB 4.22Å; F275-E333 HydrophobicContact CE1-CG 3.92Å; F275-E333 WeakPolarHBondContact CE1-OE2 3.31Å; R285-E333 IonicContact NH2-OE1 2.75Å; R285-E333 IonicContact NH2-OE2 3.4Å; R285-E333 PolarHBondContact NH2-OE2 2.92Å; S329-E333 WeakPolarHBondContact O-CB 3.41Å; S329-E333 PolarHBondContact O-N 3.34Å; L331-E333 VanDerWaalsContact C-N 3.33Å; E333-A335 VanDerWaalsContact C-N 3.33Å; E333-A335 PolarHBondContact O-N 2.87Å; E333-A336 WeakPolarHBondContact O-CB 3.28Å; E333-A336 PolarHBondContact O-N 3.25Å; E333-A336 VanDerWaalsContact O-N 3.16Å; E333-V337 WeakPolarHBondContact O-CG2 3.39Å; E333-V337 PolarHBondContact O-N 2.94Å; E333-V337 WeakPolarHBondContact OE1-CG2 3.49Å; E333-I428 HydrophobicContact CG-CG2 4.24Å; E333-D429 VanDerWaalsContact OE1-OD1 3.14Å; E333-S432 WeakPolarHBondContact CG-OG 3.42Å; E333-S432 PolarHBondContact OE1-OG 3.37Å; E333-F436 HydrophobicContact CB-CZ 4.46Å
334	Y	93.3	Very high	90.6	Very high	8 Å²	8	49.8 Å²	49.8	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-39.1	177	168.9	-104.9	0	0	0	112.1	A282 R285 V286 A330 L331 L332 A336 V337 N338	A282-Y334 WeakPolarHBondContact CA-OH 3.32Å; A282-Y334 WeakPolarHBondContact CB-OH 3.32Å; R285-Y334 HydrophobicContact CB-CD1 4.22Å; R285-Y334 HydrophobicContact CB-CD2 3.62Å; R285-Y334 HydrophobicContact CB-CE1 4.33Å; R285-Y334 HydrophobicContact CB-CE2 3.68Å; R285-Y334 HydrophobicContact CB-CG 3.87Å; R285-Y334 VanDerWaalsContact CD-CD2 3.48Å; R285-Y334 HydrophobicContact CG-CD2 4.14Å; R285-Y334 HydrophobicContact CG-CE2 4.25Å; V286-Y334 HydrophobicContact CG2-CD1 4.08Å; V286-Y334 HydrophobicContact CG2-CE1 3.29Å; A330-Y334 PolarHBondContact O-N 2.98Å; L331-Y334 PolarHBondContact O-N 3.15Å; L332-Y334 VanDerWaalsContact C-N 3.33Å; L332-Y334 PolarHBondContact O-N 2.98Å; Y334-A336 VanDerWaalsContact C-N 3.28Å; Y334-A336 PolarHBondContact O-N 2.92Å; Y334-V337 PolarHBondContact O-N 3.07Å; Y334-N338 HydrophobicContact CE1-CB 4.4Å; Y334-N338 HydrophobicContact CE2-CB 4.14Å; Y334-N338 WeakPolarHBondContact O-CB 3.43Å; Y334-N338 PolarHBondContact O-N 3.28Å
335	A	92.5	Very high	89.4	Confident	49 Å²	49	52 Å²	52	41%	0.405	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-42	175.1	0	0	0	0	0	111.5	L331 L332 E333 F339	L331-A335 PolarHBondContact O-N 3.48Å; L332-A335 WeakPolarHBondContact O-CB 3.35Å; L332-A335 PolarHBondContact O-N 3.18Å; E333-A335 VanDerWaalsContact C-N 3.33Å; E333-A335 PolarHBondContact O-N 2.87Å; A335-F339 VanDerWaalsContact O-CB 3.28Å; A335-F339 WeakPolarHBondContact O-CB 3.4Å; A335-F339 PolarHBondContact O-N 2.89Å
336	A	91.2	Very high	88.2	Confident	46 Å²	46	52.5 Å²	52.5	38%	0.38	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-46.1	175.1	0	0	0	0	0	112.2	L332 E333 Y334 N338 F339 V340	L332-A336 PolarHBondContact O-N 3.42Å; E333-A336 WeakPolarHBondContact O-CB 3.28Å; E333-A336 PolarHBondContact O-N 3.25Å; E333-A336 VanDerWaalsContact O-N 3.16Å; Y334-A336 VanDerWaalsContact C-N 3.28Å; Y334-A336 PolarHBondContact O-N 2.92Å; A336-N338 PolarHBondContact O-N 3.4Å; A336-F339 PolarHBondContact O-N 2.98Å; A336-V340 VanDerWaalsContact O-CG2 3.32Å; A336-V340 WeakPolarHBondContact O-CG2 3.34Å; A336-V340 PolarHBondContact O-N 2.72Å
337	V	90.3	Very high	86.9	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-47	176.4	171.3	0	0	0	0	111.1	M279 E333 Y334 S341 A425 I428	M279-V337 HydrophobicContact CB-CG1 3.91Å; M279-V337 HydrophobicContact CE-CG1 4.24Å; E333-V337 WeakPolarHBondContact O-CG2 3.39Å; E333-V337 PolarHBondContact O-N 2.94Å; E333-V337 WeakPolarHBondContact OE1-CG2 3.49Å; Y334-V337 PolarHBondContact O-N 3.07Å; V337-S341 VanDerWaalsContact O-CB 3.26Å; V337-S341 WeakPolarHBondContact O-CB 3.5Å; V337-S341 PolarHBondContact O-N 3.29Å; V337-A425 HydrophobicContact CG1-CB 4.4Å; V337-I428 HydrophobicContact CG2-CB 4.1Å; V337-I428 HydrophobicContact CG2-CG2 3.78Å
338	N	89.3	Confident	85.4	Confident	38 Å²	38	57.1 Å²	57.1	20%	0.203	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-38.2	178.6	177.6	51.7	0	0	0	111.9	Y334 A336 S341 R342	Y334-N338 HydrophobicContact CE1-CB 4.4Å; Y334-N338 HydrophobicContact CE2-CB 4.14Å; Y334-N338 WeakPolarHBondContact O-CB 3.43Å; Y334-N338 PolarHBondContact O-N 3.28Å; A336-N338 PolarHBondContact O-N 3.4Å; N338-S341 PolarHBondContact O-N 3.42Å; N338-R342 PolarHBondContact ND2-NE 3.03Å; N338-R342 VanDerWaalsContact O-CB 3.27Å; N338-R342 WeakPolarHBondContact O-CB 3.39Å; N338-R342 VanDerWaalsContact O-CG 3.27Å; N338-R342 WeakPolarHBondContact O-CG 3.25Å; N338-R342 PolarHBondContact O-N 2.8Å; N338-R342 PolarHBondContact OD1-NE 3.35Å
339	F	88.5	Confident	84.2	Confident	120 Å²	120	61 Å²	61	53%	0.526	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-49	175.5	179.6	-101.1	0	0	0	111.8	A335 A336 S341 R342 Q343	A335-F339 VanDerWaalsContact O-CB 3.28Å; A335-F339 WeakPolarHBondContact O-CB 3.4Å; A335-F339 PolarHBondContact O-N 2.89Å; A336-F339 PolarHBondContact O-N 2.98Å; F339-S341 VanDerWaalsContact C-N 3.32Å; F339-S341 PolarHBondContact O-N 3.1Å; F339-R342 PolarHBondContact O-N 3.33Å; F339-Q343 HydrophobicContact CD1-CG 4.33Å; F339-Q343 HydrophobicContact CE1-CG 3.93Å; F339-Q343 HydrophobicContact CE2-CG 4.18Å; F339-Q343 VanDerWaalsContact CZ-CD 3.47Å; F339-Q343 HydrophobicContact CZ-CG 3.86Å; F339-Q343 VanDerWaalsContact CZ-NE2 3.26Å; F339-Q343 PolarHBondContact O-N 2.88Å
340	V	85.3	Confident	83	Confident	29 Å²	29	65.7 Å²	65.7	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-40.7	177.2	173.6	0	0	0	0	111	A336 H344 A425	A336-V340 VanDerWaalsContact O-CG2 3.32Å; A336-V340 WeakPolarHBondContact O-CG2 3.34Å; A336-V340 PolarHBondContact O-N 2.72Å; V340-H344 PolarHBondContact O-N 3.48Å; V340-A425 HydrophobicContact CG1-CB 4.48Å
341	S	81	Confident	81.6	Confident	16 Å²	16	70.3 Å²	70.3	11%	0.112	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-37.7	175.9	-176.7	0	0	0	0	112.9	V337 N338 F339 H344 K345	V337-S341 VanDerWaalsContact O-CB 3.26Å; V337-S341 WeakPolarHBondContact O-CB 3.5Å; V337-S341 PolarHBondContact O-N 3.29Å; N338-S341 PolarHBondContact O-N 3.42Å; F339-S341 VanDerWaalsContact C-N 3.32Å; F339-S341 PolarHBondContact O-N 3.1Å; S341-H344 WeakPolarHBondContact O-CB 3.34Å; S341-H344 PolarHBondContact O-N 2.85Å; S341-K345 PolarHBondContact O-N 3.37Å
342	R	80.2	Confident	80.4	Confident	144 Å²	144	77.7 Å²	77.7	54%	0.543	36%	0.358	S	S	.	.	H	α-helix	trans	-75.3	-43.3	179.6	-78.4	-178.4	179.1	-139.4	0.4	113.4	N338 F339 H344 K345 E346	N338-R342 PolarHBondContact ND2-NE 3.03Å; N338-R342 VanDerWaalsContact O-CB 3.27Å; N338-R342 WeakPolarHBondContact O-CB 3.39Å; N338-R342 VanDerWaalsContact O-CG 3.27Å; N338-R342 WeakPolarHBondContact O-CG 3.25Å; N338-R342 PolarHBondContact O-N 2.8Å; N338-R342 PolarHBondContact OD1-NE 3.35Å; F339-R342 PolarHBondContact O-N 3.33Å; R342-H344 PolarHBondContact O-N 3.14Å; R342-H344 VanDerWaalsContact O-N 3.1Å; R342-K345 PolarHBondContact O-N 3.19Å; R342-E346 PolarHBondContact O-N 3.26Å
343	Q	76.9	Confident	79.2	Confident	108 Å²	108	80.2 Å²	80.2	51%	0.505	37%	0.365	S	S	.	.	H	α-helix	trans	-51.4	-36.1	172.5	-79.6	-165.3	-42.5	0	0	110.8	F339 L347	F339-Q343 HydrophobicContact CD1-CG 4.33Å; F339-Q343 HydrophobicContact CE1-CG 3.93Å; F339-Q343 HydrophobicContact CE2-CG 4.18Å; F339-Q343 VanDerWaalsContact CZ-CD 3.47Å; F339-Q343 HydrophobicContact CZ-CG 3.86Å; F339-Q343 VanDerWaalsContact CZ-NE2 3.26Å; F339-Q343 PolarHBondContact O-N 2.88Å; Q343-L347 WeakPolarHBondContact O-CB 3.43Å; Q343-L347 PolarHBondContact O-N 3.44Å
344	H	68.8	Low	77.9	Confident	13 Å²	13	89 Å²	89	6%	0.06	40%	0.398	C	S	.	.	H	α-helix	trans	-70.3	-46.4	175.4	-179.7	55.6	0	0	0	113.9	V340 S341 R342 E346 L347 L348 R418 F421	V340-H344 PolarHBondContact O-N 3.48Å; S341-H344 WeakPolarHBondContact O-CB 3.34Å; S341-H344 PolarHBondContact O-N 2.85Å; R342-H344 PolarHBondContact O-N 3.14Å; R342-H344 VanDerWaalsContact O-N 3.1Å; H344-E346 VanDerWaalsContact C-N 3.25Å; H344-E346 PolarHBondContact O-N 3.26Å; H344-L347 PolarHBondContact O-N 3.22Å; H344-L348 WeakPolarHBondContact CE1-CD1 3.49Å; H344-L348 VanDerWaalsContact CE1-CG 3.43Å; H344-L348 WeakPolarHBondContact CE1-CG 3.43Å; H344-L348 WeakPolarHBondContact NE2-CD1 3.22Å; H344-L348 WeakPolarHBondContact O-CB 3.28Å; H344-L348 WeakPolarHBondContact O-CG 3.48Å; H344-L348 PolarHBondContact O-N 3.04Å; H344-R418 WeakPolarHBondContact CE1-CA 3.44Å; H344-R418 VanDerWaalsContact CE1-CB 3.46Å; H344-R418 WeakPolarHBondContact CE1-CB 3.29Å; H344-R418 WeakPolarHBondContact NE2-CB 3.47Å; H344-R418 VanDerWaalsContact NE2-CG 3.28Å; H344-R418 WeakPolarHBondContact NE2-CG 3.39Å; H344-F421 HydrophobicContact CB-CB 4.4Å
345	K	70.6	Confident	76.8	Confident	99 Å²	99	94.9 Å²	94.9	43%	0.43	42%	0.424	S	S	.	.	H	α-helix	trans	-58.2	-38.2	176	-74.6	178.6	-177.4	172.7	0	111.3	D280 S341 R342 R349	D280-K345 IonicContact OD1-NZ 3.91Å; D280-K345 PolarHBondContact OD1-NZ 2.9Å; S341-K345 PolarHBondContact O-N 3.37Å; R342-K345 PolarHBondContact O-N 3.19Å; K345-R349 VanDerWaalsContact O-CG 3.25Å; K345-R349 WeakPolarHBondContact O-CG 3.46Å; K345-R349 PolarHBondContact O-N 3.12Å; K345-R349 VanDerWaalsContact O-N 3.1Å
346	E	73.1	Confident	75.8	Confident	117 Å²	117	97.2 Å²	97.2	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-73	-46.3	177.4	-68.8	-170.1	165.9	0	0	113	R342 H344 L348 R349 F350	R342-E346 PolarHBondContact O-N 3.26Å; H344-E346 VanDerWaalsContact C-N 3.25Å; H344-E346 PolarHBondContact O-N 3.26Å; E346-L348 VanDerWaalsContact C-N 3.27Å; E346-L348 PolarHBondContact O-N 2.74Å; E346-R349 PolarHBondContact O-N 3.04Å; E346-R349 VanDerWaalsContact O-N 3.09Å; E346-F350 HydrophobicContact CB-CE2 4.46Å; E346-F350 WeakPolarHBondContact O-CD2 3.46Å; E346-F350 PolarHBondContact O-N 3.36Å
347	L	70	Confident	75	Confident	81 Å²	81	102.7 Å²	102.7	42%	0.424	45%	0.445	S	S	.	.	H	α-helix	trans	-57.3	-41.2	176	-176.5	66	0	0	0	111.7	Q343 H344 R351	Q343-L347 WeakPolarHBondContact O-CB 3.43Å; Q343-L347 PolarHBondContact O-N 3.44Å; H344-L347 PolarHBondContact O-N 3.22Å; L347-R351 WeakPolarHBondContact O-CG 3.17Å; L347-R351 PolarHBondContact O-N 2.79Å; L347-R351 VanDerWaalsContact O-N 3.13Å
348	L	67.9	Low	74.2	Confident	45 Å²	45	107.1 Å²	107.1	24%	0.236	47%	0.472	C	S	.	.	H	α-helix	trans	-65.1	-44	174.3	-77.5	177.1	0	0	0	112.5	H344 E346 F350 R351 R352 R418	H344-L348 WeakPolarHBondContact CE1-CD1 3.49Å; H344-L348 VanDerWaalsContact CE1-CG 3.43Å; H344-L348 WeakPolarHBondContact CE1-CG 3.43Å; H344-L348 WeakPolarHBondContact NE2-CD1 3.22Å; H344-L348 WeakPolarHBondContact O-CB 3.28Å; H344-L348 WeakPolarHBondContact O-CG 3.48Å; H344-L348 PolarHBondContact O-N 3.04Å; E346-L348 VanDerWaalsContact C-N 3.27Å; E346-L348 PolarHBondContact O-N 2.74Å; L348-F350 VanDerWaalsContact C-N 3.34Å; L348-F350 PolarHBondContact O-N 3.5Å; L348-R351 PolarHBondContact O-N 2.96Å; L348-R352 WeakPolarHBondContact O-CB 3.46Å; L348-R352 PolarHBondContact O-N 3.47Å; L348-R418 HydrophobicContact CD1-CG 4.47Å
349	R	72	Confident	73.5	Confident	178 Å²	178	110.4 Å²	110.4	67%	0.672	49%	0.486	S	S	*	.	H	α-helix	trans	-59.2	-43.8	177.6	-79.2	173.7	179	-167.7	-0.4	111.5	K345 E346 R352 K353	K345-R349 VanDerWaalsContact O-CG 3.25Å; K345-R349 WeakPolarHBondContact O-CG 3.46Å; K345-R349 PolarHBondContact O-N 3.12Å; K345-R349 VanDerWaalsContact O-N 3.1Å; E346-R349 PolarHBondContact O-N 3.04Å; E346-R349 VanDerWaalsContact O-N 3.09Å; R349-R352 PolarHBondContact O-N 3.43Å; R349-K353 WeakPolarHBondContact O-CG 3.24Å; R349-K353 PolarHBondContact O-N 3.17Å
350	F	71.9	Confident	72.9	Confident	138 Å²	138	107.4 Å²	107.4	61%	0.605	48%	0.483	S	S	*	.	H	α-helix	trans	-64	-41.8	176.7	-75.5	-64.6	0	0	0	112.4	E346 L348 K353 R354	E346-F350 HydrophobicContact CB-CE2 4.46Å; E346-F350 WeakPolarHBondContact O-CD2 3.46Å; E346-F350 PolarHBondContact O-N 3.36Å; L348-F350 VanDerWaalsContact C-N 3.34Å; L348-F350 PolarHBondContact O-N 3.5Å; F350-K353 PolarHBondContact O-N 2.95Å; F350-R354 PolarHBondContact O-N 3.5Å
351	R	64.9	Low	72.5	Confident	101 Å²	101	112.5 Å²	112.5	38%	0.381	50%	0.503	S	S	.	.	H	α-helix	trans	-69.1	-37.5	177.5	-68.1	-178.1	97.4	-176.2	7.4	112.6	L347 L348 R354 K355	L347-R351 WeakPolarHBondContact O-CG 3.17Å; L347-R351 PolarHBondContact O-N 2.79Å; L347-R351 VanDerWaalsContact O-N 3.13Å; L348-R351 PolarHBondContact O-N 2.96Å; R351-R354 WeakPolarHBondContact O-CB 3.32Å; R351-R354 PolarHBondContact O-N 3.14Å; R351-K355 PolarHBondContact O-N 3.33Å
352	R	69.8	Low	72.3	Confident	194 Å²	194	114.4 Å²	114.4	73%	0.732	52%	0.52	S	S	*	.	H	α-helix	trans	-64.1	-43.5	174	-131.3	175.9	-173.3	173.9	0.8	111.4	L348 R349 R354 K355 N356	L348-R352 WeakPolarHBondContact O-CB 3.46Å; L348-R352 PolarHBondContact O-N 3.47Å; R349-R352 PolarHBondContact O-N 3.43Å; R352-R354 VanDerWaalsContact C-N 3.31Å; R352-R354 PolarHBondContact O-N 3.01Å; R352-K355 PolarHBondContact O-N 2.94Å; R352-N356 WeakPolarHBondContact O-CB 3.44Å; R352-N356 VanDerWaalsContact O-CG 3.31Å; R352-N356 PolarHBondContact O-N 2.9Å; R352-N356 PolarHBondContact O-OD1 2.86Å; R352-N356 VanDerWaalsContact O-OD1 3.13Å
353	K	69.8	Low	72.2	Confident	146 Å²	146	113.1 Å²	113.1	64%	0.635	52%	0.523	S	S	*	.	H	α-helix	trans	-59.6	-39.7	172	-78.4	-174.8	178.2	-175.9	0	112.3	R349 F350 K357	R349-K353 WeakPolarHBondContact O-CG 3.24Å; R349-K353 PolarHBondContact O-N 3.17Å; F350-K353 PolarHBondContact O-N 2.95Å; K353-K357 WeakPolarHBondContact O-CB 3.49Å; K353-K357 WeakPolarHBondContact O-CG 3.34Å; K353-K357 PolarHBondContact O-N 3.38Å
354	R	69.2	Low	72.3	Confident	198 Å²	198	112.8 Å²	112.8	75%	0.747	52%	0.522	S	S	*	.	H	α-helix	trans	-65.3	-47.1	175.9	-120.6	178.7	170.6	-177.4	-3.8	111.7	F350 R351 R352 K357 T358	F350-R354 PolarHBondContact O-N 3.5Å; R351-R354 WeakPolarHBondContact O-CB 3.32Å; R351-R354 PolarHBondContact O-N 3.14Å; R352-R354 VanDerWaalsContact C-N 3.31Å; R352-R354 PolarHBondContact O-N 3.01Å; R354-K357 PolarHBondContact O-N 2.88Å; R354-T358 PolarHBondContact O-N 3.22Å; R354-T358 PolarHBondContact O-OG1 3.4Å
355	K	68.9	Low	72.6	Confident	133 Å²	133	119.1 Å²	119.1	58%	0.578	55%	0.549	S	S	*	.	H	α-helix	trans	-61.7	-46.7	178.3	-163.3	179.1	-179.1	-167.4	0	111.6	R351 R352 K357 T358 E359	R351-K355 PolarHBondContact O-N 3.33Å; R352-K355 PolarHBondContact O-N 2.94Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 3.45Å; K355-T358 PolarHBondContact O-N 2.85Å; K355-T358 VanDerWaalsContact O-N 3.16Å; K355-E359 WeakPolarHBondContact CE-OE1 3.45Å; K355-E359 IonicContact NZ-OE1 3.25Å; K355-E359 WeakPolarHBondContact O-CB 3.43Å; K355-E359 WeakPolarHBondContact O-CG 3.3Å; K355-E359 PolarHBondContact O-N 3.11Å
356	N	73	Confident	72.8	Confident	97 Å²	97	121.6 Å²	121.6	52%	0.519	56%	0.56	S	S	.	*	H	α-helix	trans	-63	-36.5	176.4	-68.5	20.7	0	0	0	112.3	R352 A360	R352-N356 WeakPolarHBondContact O-CB 3.44Å; R352-N356 VanDerWaalsContact O-CG 3.31Å; R352-N356 PolarHBondContact O-N 2.9Å; R352-N356 PolarHBondContact O-OD1 2.86Å; R352-N356 VanDerWaalsContact O-OD1 3.13Å; N356-A360 WeakPolarHBondContact O-CB 3.39Å; N356-A360 PolarHBondContact O-N 2.9Å
357	K	73.3	Confident	72.4	Confident	162 Å²	162	123.6 Å²	123.6	70%	0.704	56%	0.564	S	S	*	*	H	α-helix	trans	-66.9	-40.3	173.3	-82.1	-172.9	174.9	-167.8	0	112.3	K353 R354 K355 F361	K353-K357 WeakPolarHBondContact O-CB 3.49Å; K353-K357 WeakPolarHBondContact O-CG 3.34Å; K353-K357 PolarHBondContact O-N 3.38Å; R354-K357 PolarHBondContact O-N 2.88Å; K355-K357 VanDerWaalsContact C-N 3.32Å; K355-K357 PolarHBondContact O-N 3.45Å; K357-F361 VanDerWaalsContact O-CB 3.25Å; K357-F361 WeakPolarHBondContact O-CB 3.34Å; K357-F361 PolarHBondContact O-N 3.13Å
358	T	73.9	Confident	72.1	Confident	93 Å²	93	127.6 Å²	127.6	57%	0.571	57%	0.573	S	S	*	*	H	α-helix	trans	-68.5	-40.7	177.6	-55.9	0	0	0	0	111.6	R354 K355 F361 A362	R354-T358 PolarHBondContact O-N 3.22Å; R354-T358 PolarHBondContact O-OG1 3.4Å; K355-T358 PolarHBondContact O-N 2.85Å; K355-T358 VanDerWaalsContact O-N 3.16Å; T358-F361 PolarHBondContact O-N 3.38Å; T358-A362 WeakPolarHBondContact O-CB 3.33Å; T358-A362 PolarHBondContact O-N 3.27Å
359	E	74.6	Confident	71.8	Confident	106 Å²	106	132 Å²	132	50%	0.495	59%	0.591	S	S	.	*	H	α-helix	trans	-67.1	-42.1	174.6	-73.3	174.1	-179.7	0	0	111.5	K355 F361 A362 L363	K355-E359 WeakPolarHBondContact CE-OE1 3.45Å; K355-E359 IonicContact NZ-OE1 3.25Å; K355-E359 WeakPolarHBondContact O-CB 3.43Å; K355-E359 WeakPolarHBondContact O-CG 3.3Å; K355-E359 PolarHBondContact O-N 3.11Å; E359-F361 PolarHBondContact O-N 3.22Å; E359-A362 PolarHBondContact O-N 3Å; E359-L363 WeakPolarHBondContact O-CB 3.34Å; E359-L363 PolarHBondContact O-N 3.43Å
360	A	75	Confident	71.1	Confident	58 Å²	58	126.2 Å²	126.2	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-63.2	-40.9	174.2	0	0	0	0	0	112.4	N356 L363 E364	N356-A360 WeakPolarHBondContact O-CB 3.39Å; N356-A360 PolarHBondContact O-N 2.9Å; A360-L363 PolarHBondContact O-N 2.94Å; A360-E364 WeakPolarHBondContact O-CB 3.49Å; A360-E364 PolarHBondContact O-N 3.49Å
361	F	78.6	Confident	70.3	Confident	136 Å²	136	125.3 Å²	125.3	60%	0.596	58%	0.579	S	S	*	*	H	α-helix	trans	-67	-37.6	175.6	-178.3	-100.3	0	0	0	112.5	K357 T358 E359 E364 K365	K357-F361 VanDerWaalsContact O-CB 3.25Å; K357-F361 WeakPolarHBondContact O-CB 3.34Å; K357-F361 PolarHBondContact O-N 3.13Å; T358-F361 PolarHBondContact O-N 3.38Å; E359-F361 PolarHBondContact O-N 3.22Å; F361-E364 PolarHBondContact O-N 3.33Å; F361-K365 WeakPolarHBondContact O-CB 3.18Å; F361-K365 PolarHBondContact O-N 3.3Å
362	A	76.6	Confident	69.8	Low	56 Å²	56	125.6 Å²	125.6	46%	0.463	59%	0.592	S	S	.	*	H	α-helix	trans	-66.5	-39.9	174.7	0	0	0	0	0	111.8	T358 E359 K365 F366	T358-A362 WeakPolarHBondContact O-CB 3.33Å; T358-A362 PolarHBondContact O-N 3.27Å; E359-A362 PolarHBondContact O-N 3Å; A362-K365 PolarHBondContact O-N 2.77Å; A362-F366 WeakPolarHBondContact O-CB 3.46Å; A362-F366 PolarHBondContact O-N 3.12Å
363	L	78.4	Confident	68.8	Low	116 Å²	116	122.8 Å²	122.8	61%	0.607	59%	0.587	S	S	*	*	H	α-helix	trans	-65.2	-43.3	174.6	-165.2	81.4	0	0	0	111.6	E359 A360 K365 F366 Y367	E359-L363 WeakPolarHBondContact O-CB 3.34Å; E359-L363 PolarHBondContact O-N 3.43Å; A360-L363 PolarHBondContact O-N 2.94Å; L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 2.99Å; L363-F366 PolarHBondContact O-N 3.39Å; L363-Y367 PolarHBondContact O-N 3.27Å
364	E	77.8	Confident	67.5	Low	101 Å²	101	122.5 Å²	122.5	47%	0.472	59%	0.593	S	S	.	*	H	α-helix	trans	-61.1	-42.2	175.5	-167	-162.1	145.8	0	0	111.5	A360 F361 Y367 R368	A360-E364 WeakPolarHBondContact O-CB 3.49Å; A360-E364 PolarHBondContact O-N 3.49Å; F361-E364 PolarHBondContact O-N 3.33Å; E364-Y367 PolarHBondContact O-N 2.75Å; E364-R368 WeakPolarHBondContact O-CB 3.48Å; E364-R368 PolarHBondContact O-N 2.88Å; E364-R368 IonicContact OE1-CZ 3.99Å; E364-R368 IonicContact OE1-NH2 2.89Å; E364-R368 PolarHBondContact OE1-NH2 3.35Å
365	K	75.2	Confident	66.2	Low	147 Å²	147	121.7 Å²	121.7	64%	0.639	60%	0.598	S	S	*	*	H	α-helix	trans	-66.5	-37	176.9	-169.7	176.3	-177.6	-178	0	112.5	F361 A362 L363 F369	F361-K365 WeakPolarHBondContact O-CB 3.18Å; F361-K365 PolarHBondContact O-N 3.3Å; A362-K365 PolarHBondContact O-N 2.77Å; L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 2.99Å; K365-F369 WeakPolarHBondContact O-CB 3.34Å; K365-F369 PolarHBondContact O-N 3.38Å; K365-F369 VanDerWaalsContact O-N 3.11Å
366	F	75.7	Confident	65	Low	150 Å²	150	121.4 Å²	121.4	66%	0.658	61%	0.607	S	S	*	*	H	α-helix	trans	-65.1	-44.1	175	-177	-95.9	0	0	0	111.4	A362 L363 F369 S370	A362-F366 WeakPolarHBondContact O-CB 3.46Å; A362-F366 PolarHBondContact O-N 3.12Å; L363-F366 PolarHBondContact O-N 3.39Å; F366-F369 PolarHBondContact O-N 3.4Å; F366-S370 PolarHBondContact O-N 3.37Å; F366-S370 VanDerWaalsContact O-N 3.09Å
367	Y	64.3	Low	63.3	Low	160 Å²	160	128.4 Å²	128.4	63%	0.627	63%	0.626	S	S	*	*	H	α-helix	trans	-65.1	-41.3	176.5	-123.5	-87.9	0	0	0	112.5	L363 E364 F369 S370 D371	L363-Y367 PolarHBondContact O-N 3.27Å; E364-Y367 PolarHBondContact O-N 2.75Å; Y367-F369 VanDerWaalsContact C-N 3.28Å; Y367-F369 PolarHBondContact O-N 2.98Å; Y367-S370 WeakPolarHBondContact O-CB 3.38Å; Y367-S370 PolarHBondContact O-N 3.13Å; Y367-S370 VanDerWaalsContact O-N 3.12Å; Y367-D371 PolarHBondContact O-N 3.11Å; Y367-D371 VanDerWaalsContact O-N 3.1Å
368	R	63.8	Low	61.5	Low	165 Å²	165	129.1 Å²	129.1	62%	0.623	63%	0.632	S	S	*	*	H	α-helix	trans	-64	-32	176.4	-163.9	-174.1	-62.8	-157.3	1.1	113	E364 T372	E364-R368 WeakPolarHBondContact O-CB 3.48Å; E364-R368 PolarHBondContact O-N 2.88Å; E364-R368 IonicContact OE1-CZ 3.99Å; E364-R368 IonicContact OE1-NH2 2.89Å; E364-R368 PolarHBondContact OE1-NH2 3.35Å; R368-T372 PolarHBondContact O-OG1 3.04Å
369	F	61.4	Low	59.5	Low	137 Å²	137	130.2 Å²	130.2	60%	0.601	64%	0.643	S	S	*	*	H	α-helix	trans	-73.6	-32.5	174	-171.3	-94.3	0	0	0	111.8	K365 F366 Y367 T372	K365-F369 WeakPolarHBondContact O-CB 3.34Å; K365-F369 PolarHBondContact O-N 3.38Å; K365-F369 VanDerWaalsContact O-N 3.11Å; F366-F369 PolarHBondContact O-N 3.4Å; Y367-F369 VanDerWaalsContact C-N 3.28Å; Y367-F369 PolarHBondContact O-N 2.98Å; F369-T372 PolarHBondContact O-N 3.08Å; F369-T372 PolarHBondContact O-OG1 3.36Å
370	S	57.9	Low	57.9	Low	57 Å²	57	136.4 Å²	136.4	40%	0.399	66%	0.662	S	S	.	*	H	α-helix	trans	-68.1	-40.4	175.3	-167.9	0	0	0	0	112.7	F366 Y367 T372 E373	F366-S370 PolarHBondContact O-N 3.37Å; F366-S370 VanDerWaalsContact O-N 3.09Å; Y367-S370 WeakPolarHBondContact O-CB 3.38Å; Y367-S370 PolarHBondContact O-N 3.13Å; Y367-S370 VanDerWaalsContact O-N 3.12Å; S370-T372 PolarHBondContact O-N 3.02Å; S370-E373 PolarHBondContact O-N 2.9Å
371	D	54.8	Low	55.7	Low	119 Å²	119	142.8 Å²	142.8	64%	0.636	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-18.3	178	-96.4	-23.4	0	0	0	113.4	Y367	Y367-D371 PolarHBondContact O-N 3.11Å; Y367-D371 VanDerWaalsContact O-N 3.1Å
372	T	53.8	Low	53.5	Low	107 Å²	107	141.1 Å²	141.1	66%	0.656	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-9.5	178.5	9.2	0	0	0	0	113.6	R368 F369 S370	R368-T372 PolarHBondContact O-OG1 3.04Å; F369-T372 PolarHBondContact O-N 3.08Å; F369-T372 PolarHBondContact O-OG1 3.36Å; S370-T372 PolarHBondContact O-N 3.02Å
373	E	48.7	Very low	51.2	Low	134 Å²	134	147.4 Å²	147.4	63%	0.626	70%	0.702	S	S	*	*	S	Bend	trans	-95	-11	176.6	-69.7	-164.6	154	0	0	113.8	S370	S370-E373 PolarHBondContact O-N 2.9Å
374	D	43	Very low	49	Very low	140 Å²	140	146.7 Å²	146.7	75%	0.749	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	1.2	-175.6	-86.3	-26.7	0	0	0	115.3
375	E	42	Very low	47	Very low	182 Å²	182	145.6 Å²	145.6	85%	0.85	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	11.1	177.6	-138.5	-174.3	-174.5	0	0	115.4
376	V	43	Very low	45.2	Very low	127 Å²	127	149.7 Å²	149.7	77%	0.77	72%	0.724	S	S	*	*			trans	-143.4	70.4	172.7	-166.6	0	0	0	0	111.3
377	R	37.1	Very low	43	Very low	243 Å²	243	145.9 Å²	145.9	92%	0.917	73%	0.727	S	S	*	*			trans	-141.4	56.9	163.6	-134.6	-177.6	75.3	155.3	0.8	114.4
378	E	35.6	Very low	41.6	Very low	178 Å²	178	148 Å²	148	83%	0.832	75%	0.745	S	S	*	*	S	Bend	trans	-134	134.2	153.6	-159.5	156.1	-154	0	0	110.2
379	S	31.9	Very low	40.1	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	75%	0.748	S	S	*	*			trans	96.1	105	172.4	-43.8	0	0	0	0	117.8
380	R	41.1	Very low	39.2	Very low	237 Å²	237	142.6 Å²	142.6	89%	0.894	76%	0.757	S	S	*	*			trans	-54.4	139.3	150.4	-81.6	178.6	-109.8	-173.9	-5.5	109.5
381	F	29.7	Very low	37.7	Very low	191 Å²	191	145.6 Å²	145.6	84%	0.838	78%	0.776	S	S	*	*				173.3	129.4	121.9	-112.5	-97.6	0	0	0	113.1
382	S	32.7	Very low	36.6	Very low	101 Å²	101	147.6 Å²	147.6	71%	0.706	79%	0.786	S	S	*	*			trans	39.9	130.9	148.2	57.4	0	0	0	0	122.7
383	F	27.1	Very low	35.6	Very low	189 Å²	189	151.5 Å²	151.5	83%	0.829	80%	0.797	S	S	*	*				173.4	150.3	95.3	-170.7	-103.3	0	0	0	112.1
384	T	32.3	Very low	34.7	Very low	100 Å²	100	150.2 Å²	150.2	61%	0.613	81%	0.81	S	S	*	*			trans	-68.5	152.1	-176.2	24.4	0	0	0	0	117.2
385	A	36.7	Very low	34.2	Very low	79 Å²	79	152.7 Å²	152.7	65%	0.653	81%	0.814	S	S	*	*			trans	44.3	133.1	135.4	0	0	0	0	0	121.6
386	Y	36	Very low	33.5	Very low	233 Å²	233	151.6 Å²	151.6	91%	0.914	81%	0.813	S	S	*	*				-166.6	139.7	118.6	-91.9	-71.1	0	0	0	109.8
387	G	30.7	Very low	32.8	Very low	70 Å²	70	148.8 Å²	148.8	72%	0.722	81%	0.811	S	S	*	*			trans	-107	-167.7	178.1	0	0	0	0	0	114.5
388	M	34	Very low	32.5	Very low	205 Å²	205	144.1 Å²	144.1	100%	1.01	81%	0.808	S	S	*	*			trans	76.5	133	179.9	-72.5	-170.3	139	0	0	116.5
389	G	31.6	Very low	32.4	Very low	67 Å²	67	141.8 Å²	141.8	69%	0.691	80%	0.801	S	S	*	*			cis	-175.5	-160.9	16.6	0	0	0	0	0	113
390	P	43.5	Very low	32.7	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	80%	0.802	S	S	*	*				-136.4	-171.8	-116.1	38.3	-18.7	0	0	0	117.2
391	C	27	Very low	32.3	Very low	119 Å²	119	140.3 Å²	140.3	80%	0.804	80%	0.799	S	S	*	*			trans	86	139.1	157.3	-74	0	0	0	0	117.9
392	L	31.7	Very low	32.3	Very low	161 Å²	161	134.5 Å²	134.5	84%	0.843	79%	0.794	S	S	*	*			cis	-156.9	143.5	38.5	-118.3	149.4	0	0	0	111.7
393	Q	32.7	Very low	33	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	80%	0.796	S	S	*	*			trans	-64.5	134.5	159.9	-79.6	171.1	-22.8	0	0	110
394	A	29.6	Very low	33.2	Very low	108 Å²	108	133.7 Å²	133.7	89%	0.893	80%	0.797	S	S	*	*			trans	-120.5	111.6	160.7	0	0	0	0	0	108.4
395	K	32.4	Very low	33.3	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.835	81%	0.812	S	S	*	*			trans	-102.9	118.9	163.3	-172.1	-176.6	-176.4	-178.1	0	105.4
396	D	28	Very low	33.1	Very low	158 Å²	158	138.5 Å²	138.5	85%	0.845	81%	0.812	S	S	*	*			trans	169.4	136.7	139.9	-84.3	-20.6	0	0	0	110.7
397	G	28.3	Very low	33.1	Very low	69 Å²	69	135.4 Å²	135.4	71%	0.711	81%	0.81	S	S	*	*			trans	114.4	101.9	147.5	0	0	0	0	0	119
398	V	30.1	Very low	33.2	Very low	144 Å²	144	140.7 Å²	140.7	87%	0.873	82%	0.816	S	S	*	*			trans	81	115.2	133.4	-171.2	0	0	0	0	119.2
399	L	33	Very low	33.6	Very low	130 Å²	130	137.4 Å²	137.4	68%	0.681	81%	0.807	S	S	*	*			trans	-59.2	153.2	162.9	-143.8	85.5	0	0	0	111.2	K401	L399-K401 HydrophobicContact CD2-CD 4.34Å; L399-K401 HydrophobicContact CD2-CG 3.88Å
400	P	38.6	Very low	33.9	Very low	125 Å²	125	141.7 Å²	141.7	81%	0.812	81%	0.811	S	S	*	*				-138.3	147.3	99.6	30.6	-14.8	0	0	0	115
401	K	32	Very low	34.1	Very low	195 Å²	195	141.6 Å²	141.6	85%	0.848	81%	0.81	S	S	*	*			trans	-53.6	142.2	168.3	-84.2	159.6	166.9	173.2	0	112.4	L399	L399-K401 HydrophobicContact CD2-CD 4.34Å; L399-K401 HydrophobicContact CD2-CG 3.88Å
402	G	31.1	Very low	35.2	Very low	70 Å²	70	142.2 Å²	142.2	72%	0.722	80%	0.799	S	S	*	*			trans	-177.1	124	159.3	0	0	0	0	0	112.1
403	P	45.8	Very low	36.7	Very low	115 Å²	115	136.7 Å²	136.7	75%	0.747	77%	0.774	S	S	*	*			trans	-85.7	153.8	-162.6	36.1	-33.9	0	0	0	111.6
404	N	32.1	Very low	38	Very low	158 Å²	158	130.5 Å²	130.5	85%	0.845	75%	0.75	S	S	*	*			trans	-171.9	91.7	146.4	-89.4	-24	0	0	0	110	A406	N404-A406 PolarHBondContact O-N 3.4Å
405	H	34.8	Very low	39.6	Very low	201 Å²	201	130.2 Å²	130.2	93%	0.931	73%	0.734	S	S	*	*			trans	-65.6	89.4	150.1	-96.4	-71.9	0	0	0	107.1	L407	H405-L407 PolarHBondContact O-N 3.3Å; H405-L407 VanDerWaalsContact O-N 3.1Å
406	A	32	Very low	41.2	Very low	79 Å²	79	126.2 Å²	126.2	65%	0.653	72%	0.718	S	S	*	*			trans	-64.2	107.7	157.6	0	0	0	0	0	106.5	N404 Q408	N404-A406 PolarHBondContact O-N 3.4Å; A406-Q408 VanDerWaalsContact C-N 3.31Å; A406-Q408 PolarHBondContact O-N 3.48Å
407	L	36.2	Very low	42.9	Very low	167 Å²	167	121 Å²	121	87%	0.874	69%	0.689	S	S	*	*			trans	-51.3	100.1	161.2	-87.2	150.8	0	0	0	107.4	H405 V409	H405-L407 PolarHBondContact O-N 3.3Å; H405-L407 VanDerWaalsContact O-N 3.1Å; L407-V409 VanDerWaalsContact C-N 3.31Å; L407-V409 PolarHBondContact O-N 2.99Å
408	Q	33.6	Very low	44.6	Very low	182 Å²	182	123.7 Å²	123.7	85%	0.85	68%	0.678	S	S	*	*			trans	-65.6	95.4	169.5	-78.4	-174.7	-13.2	0	0	107.5	A406 M410	A406-Q408 VanDerWaalsContact C-N 3.31Å; A406-Q408 PolarHBondContact O-N 3.48Å; Q408-M410 PolarHBondContact O-N 2.9Å
409	V	41.1	Very low	46.6	Very low	135 Å²	135	123.5 Å²	123.5	82%	0.818	67%	0.665	S	S	*	*			trans	-64.8	104.4	163.2	178.3	0	0	0	0	106.3	L407	L407-V409 VanDerWaalsContact C-N 3.31Å; L407-V409 PolarHBondContact O-N 2.99Å
410	M	38.7	Very low	48.5	Very low	158 Å²	158	120.3 Å²	120.3	78%	0.778	65%	0.651	S	S	*	*			trans	-55.4	135.2	175.1	-68	-162.7	84.5	0	0	110	Q408 K412	Q408-M410 PolarHBondContact O-N 2.9Å; M410-K412 PolarHBondContact O-N 2.99Å; M410-K412 VanDerWaalsContact O-N 3.1Å
411	P	47.5	Very low	50	Low	118 Å²	118	117.3 Å²	117.3	77%	0.766	63%	0.625	S	S	*	*			trans	-65.8	114.1	173.9	24.7	-29.8	0	0	0	109.1	S413	P411-S413 PolarHBondContact O-N 3Å
412	K	50.8	Low	52	Low	132 Å²	132	110.4 Å²	110.4	57%	0.574	60%	0.597	S	S	*	*			trans	-50	133.3	178.1	-71.2	179.1	178.1	173.7	0	110.9	M410 M417	M410-K412 PolarHBondContact O-N 2.99Å; M410-K412 VanDerWaalsContact O-N 3.1Å; K412-M417 HydrophobicContact CB-CG 3.78Å
413	S	62	Low	54.3	Low	45 Å²	45	111.4 Å²	111.4	32%	0.315	59%	0.586	S	S	.	*			trans	-61	151.5	179.2	67.9	0	0	0	0	110.7	P411 D415 E416 M417	P411-S413 PolarHBondContact O-N 3Å; S413-D415 PolarHBondContact O-N 3.45Å; S413-E416 WeakPolarHBondContact CB-OE2 3.35Å; S413-E416 PolarHBondContact N-OE2 3.21Å; S413-E416 PolarHBondContact O-N 3.28Å; S413-E416 VanDerWaalsContact O-N 3.16Å; S413-E416 WeakPolarHBondContact OG-CB 3.49Å; S413-E416 WeakPolarHBondContact OG-CG 3.35Å; S413-E416 PolarHBondContact OG-N 2.81Å; S413-E416 PolarHBondContact OG-OE2 3.22Å; S413-M417 PolarHBondContact O-N 2.95Å
414	P	60.9	Low	56	Low	60 Å²	60	112.6 Å²	112.6	39%	0.39	58%	0.575	S	S	.	*	H	α-helix	trans	-58.4	-29.4	-179.2	20.4	-30.8	0	0	0	113.4	R418	P414-R418 WeakPolarHBondContact O-CB 3.36Å; P414-R418 PolarHBondContact O-N 2.94Å; P414-R418 VanDerWaalsContact O-N 3.12Å
415	D	63	Low	58.2	Low	101 Å²	101	105.1 Å²	105.1	54%	0.54	54%	0.536	S	S	.	.	H	α-helix	trans	-78.7	-33.4	177.2	-67.9	-43.8	0	0	0	113.1	S413 R418 K419	S413-D415 PolarHBondContact O-N 3.45Å; D415-R418 WeakPolarHBondContact O-CB 3.16Å; D415-R418 PolarHBondContact O-N 3.28Å; D415-K419 PolarHBondContact O-N 2.92Å; D415-K419 VanDerWaalsContact O-N 3.11Å
416	E	65.9	Low	60.6	Low	108 Å²	108	100.9 Å²	100.9	51%	0.505	52%	0.515	S	S	.	.	H	α-helix	trans	-69.2	-40.9	171.9	-74	165.8	149.9	0	0	111.6	S413 R418 K419 V420	S413-E416 WeakPolarHBondContact CB-OE2 3.35Å; S413-E416 PolarHBondContact N-OE2 3.21Å; S413-E416 PolarHBondContact O-N 3.28Å; S413-E416 VanDerWaalsContact O-N 3.16Å; S413-E416 WeakPolarHBondContact OG-CB 3.49Å; S413-E416 WeakPolarHBondContact OG-CG 3.35Å; S413-E416 PolarHBondContact OG-N 2.81Å; S413-E416 PolarHBondContact OG-OE2 3.22Å; E416-R418 VanDerWaalsContact C-N 3.26Å; E416-R418 PolarHBondContact O-N 3.26Å; E416-K419 PolarHBondContact O-N 3.22Å; E416-V420 WeakPolarHBondContact O-CG2 3.47Å; E416-V420 PolarHBondContact O-N 3.46Å; E416-V420 VanDerWaalsContact O-N 3.08Å
417	M	63	Low	63.3	Low	50 Å²	50	103.8 Å²	103.8	25%	0.246	51%	0.513	C	S	.	.	H	α-helix	trans	-62	-37.4	172.6	-73.4	-138.6	-71.4	0	0	111.4	K412 S413 K419 V420 F421	K412-M417 HydrophobicContact CB-CG 3.78Å; S413-M417 PolarHBondContact O-N 2.95Å; M417-K419 PolarHBondContact O-N 2.95Å; M417-V420 PolarHBondContact O-N 3.16Å; M417-F421 WeakPolarHBondContact O-CD2 3.42Å; M417-F421 PolarHBondContact O-N 2.93Å
418	R	65.4	Low	65.9	Low	125 Å²	125	98.3 Å²	98.3	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-58.7	-45.8	174	169.5	170.6	-167.8	-162.8	-1	113.4	H344 L348 P414 D415 E416 I422	H344-R418 WeakPolarHBondContact CE1-CA 3.44Å; H344-R418 VanDerWaalsContact CE1-CB 3.46Å; H344-R418 WeakPolarHBondContact CE1-CB 3.29Å; H344-R418 WeakPolarHBondContact NE2-CB 3.47Å; H344-R418 VanDerWaalsContact NE2-CG 3.28Å; H344-R418 WeakPolarHBondContact NE2-CG 3.39Å; L348-R418 HydrophobicContact CD1-CG 4.47Å; P414-R418 WeakPolarHBondContact O-CB 3.36Å; P414-R418 PolarHBondContact O-N 2.94Å; P414-R418 VanDerWaalsContact O-N 3.12Å; D415-R418 WeakPolarHBondContact O-CB 3.16Å; D415-R418 PolarHBondContact O-N 3.28Å; E416-R418 VanDerWaalsContact C-N 3.26Å; E416-R418 PolarHBondContact O-N 3.26Å; R418-I422 HydrophobicContact CG-CD1 3.77Å; R418-I422 VanDerWaalsContact O-CG1 3.31Å; R418-I422 WeakPolarHBondContact O-CG1 3.28Å; R418-I422 PolarHBondContact O-N 3.4Å
419	K	70.8	Confident	68.6	Low	140 Å²	140	90 Å²	90	61%	0.609	45%	0.445	S	S	*	.	H	α-helix	trans	-61.1	-48.8	176.3	-70.3	178	-179.6	179.5	0	111	D415 E416 M417 F421 I422 D423	D415-K419 PolarHBondContact O-N 2.92Å; D415-K419 VanDerWaalsContact O-N 3.11Å; E416-K419 PolarHBondContact O-N 3.22Å; M417-K419 PolarHBondContact O-N 2.95Å; K419-F421 VanDerWaalsContact C-N 3.34Å; K419-F421 PolarHBondContact O-N 3.29Å; K419-I422 PolarHBondContact O-N 3.41Å; K419-D423 VanDerWaalsContact O-CB 3.28Å; K419-D423 WeakPolarHBondContact O-CB 3.26Å; K419-D423 PolarHBondContact O-N 2.84Å; K419-D423 VanDerWaalsContact O-OD2 3.05Å
420	V	72.9	Confident	71.1	Confident	62 Å²	62	87.6 Å²	87.6	38%	0.376	43%	0.431	S	S	.	.	H	α-helix	trans	-56.8	-40.7	-177.5	173.1	0	0	0	0	113.8	E416 M417 R424	E416-V420 WeakPolarHBondContact O-CG2 3.47Å; E416-V420 PolarHBondContact O-N 3.46Å; E416-V420 VanDerWaalsContact O-N 3.08Å; M417-V420 PolarHBondContact O-N 3.16Å; V420-R424 WeakPolarHBondContact O-CB 3.45Å; V420-R424 PolarHBondContact O-N 3.04Å
421	F	69.6	Low	73.7	Confident	62 Å²	62	84.2 Å²	84.2	27%	0.272	42%	0.415	S	S	.	.	H	α-helix	trans	-79.8	-35.5	-179.7	-72.9	-76	0	0	0	113.2	H344 M417 K419 D423 R424 A425	H344-F421 HydrophobicContact CB-CB 4.4Å; M417-F421 WeakPolarHBondContact O-CD2 3.42Å; M417-F421 PolarHBondContact O-N 2.93Å; K419-F421 VanDerWaalsContact C-N 3.34Å; K419-F421 PolarHBondContact O-N 3.29Å; F421-D423 VanDerWaalsContact C-N 3.32Å; F421-R424 WeakPolarHBondContact O-CB 3.44Å; F421-R424 PolarHBondContact O-N 2.95Å; F421-A425 PolarHBondContact O-N 3.08Å
422	I	74.6	Confident	76	Confident	50 Å²	50	79 Å²	79	26%	0.256	38%	0.382	S	S	.	.	H	α-helix	trans	-64.5	-41.9	172.1	-68.6	173	0	0	0	109.9	R418 K419 R424 A425 K426	R418-I422 HydrophobicContact CG-CD1 3.77Å; R418-I422 VanDerWaalsContact O-CG1 3.31Å; R418-I422 WeakPolarHBondContact O-CG1 3.28Å; R418-I422 PolarHBondContact O-N 3.4Å; K419-I422 PolarHBondContact O-N 3.41Å; I422-R424 VanDerWaalsContact C-N 3.29Å; I422-R424 PolarHBondContact O-N 3.34Å; I422-A425 PolarHBondContact O-N 3.2Å; I422-K426 HydrophobicContact CG2-CD 4.19Å; I422-K426 WeakPolarHBondContact O-CB 3.33Å; I422-K426 WeakPolarHBondContact O-CG 3.12Å; I422-K426 PolarHBondContact O-N 3.28Å
423	D	79.3	Confident	78.1	Confident	91 Å²	91	76.8 Å²	76.8	49%	0.487	37%	0.369	S	S	.	.	H	α-helix	trans	-65.1	-35.8	176.2	-64.5	-23	0	0	0	110.8	K419 F421 K427	K419-D423 VanDerWaalsContact O-CB 3.28Å; K419-D423 WeakPolarHBondContact O-CB 3.26Å; K419-D423 PolarHBondContact O-N 2.84Å; K419-D423 VanDerWaalsContact O-OD2 3.05Å; F421-D423 VanDerWaalsContact C-N 3.32Å; D423-K427 WeakPolarHBondContact O-CB 3.32Å; D423-K427 PolarHBondContact O-N 3.01Å
424	R	81.3	Confident	79.6	Confident	140 Å²	140	77.7 Å²	77.7	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-45.4	172.6	-169.6	-179.2	-69	-165.6	-3.4	112.1	V420 F421 I422 K427 I428	V420-R424 WeakPolarHBondContact O-CB 3.45Å; V420-R424 PolarHBondContact O-N 3.04Å; F421-R424 WeakPolarHBondContact O-CB 3.44Å; F421-R424 PolarHBondContact O-N 2.95Å; I422-R424 VanDerWaalsContact C-N 3.29Å; I422-R424 PolarHBondContact O-N 3.34Å; R424-K427 WeakPolarHBondContact O-CB 3.12Å; R424-K427 PolarHBondContact O-N 3.11Å; R424-I428 WeakPolarHBondContact O-CG1 3.43Å; R424-I428 PolarHBondContact O-N 3.12Å; R424-I428 VanDerWaalsContact O-N 3.13Å
425	A	79.3	Confident	81.3	Confident	1 Å²	1	78 Å²	78	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-63.6	-44.3	177.1	0	0	0	0	0	111.8	M279 V337 V340 F421 I422 K427 I428 D429	M279-A425 HydrophobicContact CE-CB 3.7Å; M279-A425 HydrophobicContact SD-CB 4.11Å; V337-A425 HydrophobicContact CG1-CB 4.4Å; V340-A425 HydrophobicContact CG1-CB 4.48Å; F421-A425 PolarHBondContact O-N 3.08Å; I422-A425 PolarHBondContact O-N 3.2Å; A425-K427 VanDerWaalsContact C-N 3.29Å; A425-K427 PolarHBondContact O-N 3.5Å; A425-I428 WeakPolarHBondContact O-CB 3.28Å; A425-I428 PolarHBondContact O-N 3.16Å; A425-D429 PolarHBondContact O-N 3.35Å
426	K	84.5	Confident	82.9	Confident	113 Å²	113	74.8 Å²	74.8	49%	0.491	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-34.8	174.2	-72.5	179	178	-178.6	0	112.7	M279 I422 I428 D429 T430	M279-K426 HydrophobicContact CE-CG 3.79Å; I422-K426 HydrophobicContact CG2-CD 4.19Å; I422-K426 WeakPolarHBondContact O-CB 3.33Å; I422-K426 WeakPolarHBondContact O-CG 3.12Å; I422-K426 PolarHBondContact O-N 3.28Å; K426-I428 VanDerWaalsContact C-N 3.33Å; K426-D429 PolarHBondContact O-N 3.4Å; K426-T430 WeakPolarHBondContact O-CB 3.37Å; K426-T430 PolarHBondContact O-N 3.43Å; K426-T430 PolarHBondContact O-OG1 2.9Å
427	K	89.8	Confident	84.4	Confident	140 Å²	140	71.6 Å²	71.6	61%	0.609	35%	0.353	S	S	*	.	H	α-helix	trans	-65.6	-36.5	176.7	-172.3	171.4	-177.1	176.3	0	111.6	D423 R424 A425 T430 I431	D423-K427 WeakPolarHBondContact O-CB 3.32Å; D423-K427 PolarHBondContact O-N 3.01Å; R424-K427 WeakPolarHBondContact O-CB 3.12Å; R424-K427 PolarHBondContact O-N 3.11Å; A425-K427 VanDerWaalsContact C-N 3.29Å; A425-K427 PolarHBondContact O-N 3.5Å; K427-T430 PolarHBondContact O-N 3.35Å; K427-I431 HydrophobicContact CG-CD1 3.9Å; K427-I431 HydrophobicContact CG-CG1 4.46Å; K427-I431 VanDerWaalsContact O-CG1 3.25Å; K427-I431 WeakPolarHBondContact O-CG1 3.32Å; K427-I431 PolarHBondContact O-N 3.22Å
428	I	90.2	Very high	86	Confident	52 Å²	52	74.3 Å²	74.3	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-55.1	173.2	-63.7	166.8	0	0	0	109.6	E333 V337 R424 A425 K426 T430 I431 S432	E333-I428 HydrophobicContact CG-CG2 4.24Å; V337-I428 HydrophobicContact CG2-CB 4.1Å; V337-I428 HydrophobicContact CG2-CG2 3.78Å; R424-I428 WeakPolarHBondContact O-CG1 3.43Å; R424-I428 PolarHBondContact O-N 3.12Å; R424-I428 VanDerWaalsContact O-N 3.13Å; A425-I428 WeakPolarHBondContact O-CB 3.28Å; A425-I428 PolarHBondContact O-N 3.16Å; K426-I428 VanDerWaalsContact C-N 3.33Å; I428-T430 PolarHBondContact O-N 3.31Å; I428-I431 PolarHBondContact O-N 2.89Å; I428-I431 VanDerWaalsContact O-N 3.15Å; I428-S432 WeakPolarHBondContact O-CB 3.12Å; I428-S432 PolarHBondContact O-N 2.82Å; I428-S432 PolarHBondContact O-OG 3Å
429	D	91.1	Very high	87.6	Confident	7 Å²	7	70.4 Å²	70.4	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-55.7	-40.9	177.7	-75.1	-47.2	0	0	0	111.4	R285 E333 A425 K426 S432 R433	R285-D429 IonicContact CZ-OD1 2.77Å; R285-D429 VanDerWaalsContact CZ-OD1 3.32Å; R285-D429 IonicContact NH1-OD1 3.69Å; R285-D429 PolarHBondContact NH1-OD1 3.24Å; R285-D429 IonicContact NH1-OD2 3.04Å; R285-D429 PolarHBondContact NH1-OD2 3.42Å; R285-D429 IonicContact NH2-OD1 2.94Å; R285-D429 PolarHBondContact NH2-OD1 3.47Å; E333-D429 VanDerWaalsContact OE1-OD1 3.14Å; A425-D429 PolarHBondContact O-N 3.35Å; K426-D429 PolarHBondContact O-N 3.4Å; D429-S432 PolarHBondContact O-N 3.04Å; D429-R433 VanDerWaalsContact O-CG 3.22Å; D429-R433 WeakPolarHBondContact O-CG 3.46Å; D429-R433 PolarHBondContact O-N 2.72Å
430	T	92.3	Very high	88.8	Confident	84 Å²	84	64 Å²	64	52%	0.515	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-40.7	-179.4	-54.1	0	0	0	0	112.5	K426 K427 I428	K426-T430 WeakPolarHBondContact O-CB 3.37Å; K426-T430 PolarHBondContact O-N 3.43Å; K426-T430 PolarHBondContact O-OG1 2.9Å; K427-T430 PolarHBondContact O-N 3.35Å; I428-T430 PolarHBondContact O-N 3.31Å
431	I	94.5	Very high	90	Very high	87 Å²	87	65.9 Å²	65.9	45%	0.446	34%	0.342	S	S	.	.	H	α-helix	trans	-69.9	-45.9	176.6	-68.4	167.1	0	0	0	109.8	K427 I428 R433 A434 C435	K427-I431 HydrophobicContact CG-CD1 3.9Å; K427-I431 HydrophobicContact CG-CG1 4.46Å; K427-I431 VanDerWaalsContact O-CG1 3.25Å; K427-I431 WeakPolarHBondContact O-CG1 3.32Å; K427-I431 PolarHBondContact O-N 3.22Å; I428-I431 PolarHBondContact O-N 2.89Å; I428-I431 VanDerWaalsContact O-N 3.15Å; I431-R433 PolarHBondContact O-N 3.18Å; I431-A434 PolarHBondContact O-N 3.19Å; I431-C435 VanDerWaalsContact CG2-SG 3.55Å; I431-C435 PolarHBondContact O-N 3.03Å
432	S	94.9	Very high	91.3	Very high	10 Å²	10	67 Å²	67	7%	0.07	35%	0.35	C	S	.	.	H	α-helix	trans	-57	-37.8	-179.8	-60.8	0	0	0	0	112.4	E333 I428 D429 A434 F436	E333-S432 WeakPolarHBondContact CG-OG 3.42Å; E333-S432 PolarHBondContact OE1-OG 3.37Å; I428-S432 WeakPolarHBondContact O-CB 3.12Å; I428-S432 PolarHBondContact O-N 2.82Å; I428-S432 PolarHBondContact O-OG 3Å; D429-S432 PolarHBondContact O-N 3.04Å; S432-A434 PolarHBondContact O-N 3.1Å; S432-F436 WeakPolarHBondContact O-CB 3.46Å; S432-F436 WeakPolarHBondContact O-CD2 3.16Å; S432-F436 PolarHBondContact O-N 3.33Å; S432-F436 VanDerWaalsContact O-N 3.13Å
433	R	94.8	Very high	92.4	Very high	84 Å²	84	66.4 Å²	66.4	32%	0.317	35%	0.345	S	S	.	.	H	α-helix	trans	-57.3	-30.8	176	-74.4	168.4	-163.6	-179.8	2.7	114.3	F275 W276 D429 I431 P437	F275-R433 HydrophobicContact CB-CG 3.78Å; F275-R433 PolarHBondContact O-NE 3.39Å; F275-R433 PolarHBondContact O-NH2 3.01Å; W276-R433 HydrophobicContact CZ2-CG 4.35Å; D429-R433 VanDerWaalsContact O-CG 3.22Å; D429-R433 WeakPolarHBondContact O-CG 3.46Å; D429-R433 PolarHBondContact O-N 2.72Å; I431-R433 PolarHBondContact O-N 3.18Å; R433-P437 WeakPolarHBondContact O-CD 3.25Å; R433-P437 WeakPolarHBondContact O-CG 3.49Å
434	A	94.8	Very high	93.2	Very high	64 Å²	64	63.3 Å²	63.3	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-97.6	-43.8	178.8	0	0	0	0	0	112	I431 S432 L438	I431-A434 PolarHBondContact O-N 3.19Å; S432-A434 PolarHBondContact O-N 3.1Å; A434-L438 VanDerWaalsContact O-CB 3.26Å; A434-L438 WeakPolarHBondContact O-CB 3.42Å; A434-L438 PolarHBondContact O-N 3.49Å
435	C	96.2	Very high	93.9	Very high	68 Å²	68	61.6 Å²	61.6	46%	0.459	33%	0.329	S	S	.	.	H	α-helix	trans	-67.6	-41.2	-173.7	-70.2	0	0	0	0	113.1	I431 A439	I431-C435 VanDerWaalsContact CG2-SG 3.55Å; I431-C435 PolarHBondContact O-N 3.03Å; C435-A439 WeakPolarHBondContact O-CB 3.28Å; C435-A439 PolarHBondContact O-N 2.85Å
436	F	96.7	Very high	94.8	Very high	32 Å²	32	67.9 Å²	67.9	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-52.5	-178.1	-84.5	-109.1	0	0	0	112.2	F275 F326 A330 E333 S432 L438 A439 F440	F275-F436 HydrophobicContact CE2-CB 3.92Å; F275-F436 HydrophobicContact CE2-CD1 4.2Å; F275-F436 HydrophobicContact CE2-CD2 4.04Å; F275-F436 AromaticContact CE2-CG 3.81Å; F275-F436 HydrophobicContact CE2-CG 3.81Å; F275-F436 HydrophobicContact CZ-CB 4.4Å; F275-F436 AromaticContact CZ-CD1 3.88Å; F275-F436 HydrophobicContact CZ-CD1 3.88Å; F275-F436 AromaticContact CZ-CD2 3.84Å; F275-F436 HydrophobicContact CZ-CD2 3.84Å; F275-F436 HydrophobicContact CZ-CE1 4Å; F275-F436 AromaticContact CZ-CE2 3.96Å; F275-F436 HydrophobicContact CZ-CE2 3.96Å; F275-F436 AromaticContact CZ-CG 3.79Å; F275-F436 HydrophobicContact CZ-CG 3.79Å; F275-F436 HydrophobicContact CZ-CZ 4.04Å; F326-F436 HydrophobicContact CD1-CD1 4.06Å; A330-F436 HydrophobicContact CB-CE1 4.29Å; E333-F436 HydrophobicContact CB-CZ 4.46Å; S432-F436 WeakPolarHBondContact O-CB 3.46Å; S432-F436 WeakPolarHBondContact O-CD2 3.16Å; S432-F436 PolarHBondContact O-N 3.33Å; S432-F436 VanDerWaalsContact O-N 3.13Å; F436-L438 VanDerWaalsContact C-N 3.34Å; F436-L438 PolarHBondContact O-N 3.37Å; F436-A439 PolarHBondContact O-N 3.03Å; F436-F440 WeakPolarHBondContact O-CB 3.31Å; F436-F440 PolarHBondContact O-N 2.98Å
437	P	96.9	Very high	95.3	Very high	42 Å²	42	62.9 Å²	62.9	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-40.3	176.8	-24.7	35.1	0	0	0	113.1	W272 R433 F440 L441	W272-P437 HydrophobicContact CD2-CG 4.05Å; W272-P437 HydrophobicContact CE3-CB 4.22Å; W272-P437 HydrophobicContact CE3-CG 3.8Å; W272-P437 HydrophobicContact CH2-CB 4.01Å; W272-P437 HydrophobicContact CH2-CG 4.37Å; W272-P437 HydrophobicContact CZ2-CB 4.5Å; W272-P437 HydrophobicContact CZ3-CB 3.85Å; W272-P437 HydrophobicContact CZ3-CG 3.96Å; R433-P437 WeakPolarHBondContact O-CD 3.25Å; R433-P437 WeakPolarHBondContact O-CG 3.49Å; P437-F440 PolarHBondContact O-N 3.1Å; P437-L441 WeakPolarHBondContact O-CB 3.27Å; P437-L441 PolarHBondContact O-N 2.99Å
438	L	96.9	Very high	95.6	Very high	106 Å²	106	60.1 Å²	60.1	56%	0.555	32%	0.32	S	S	*	.	H	α-helix	trans	-66	-46.2	180	-177	64.7	0	0	0	111.9	A434 F436 F440 L441 I442	A434-L438 VanDerWaalsContact O-CB 3.26Å; A434-L438 WeakPolarHBondContact O-CB 3.42Å; A434-L438 PolarHBondContact O-N 3.49Å; F436-L438 VanDerWaalsContact C-N 3.34Å; F436-L438 PolarHBondContact O-N 3.37Å; L438-F440 VanDerWaalsContact C-N 3.3Å; L438-F440 PolarHBondContact O-N 2.99Å; L438-L441 PolarHBondContact O-N 3.1Å; L438-I442 HydrophobicContact CG-CD1 4.27Å; L438-I442 VanDerWaalsContact O-CG1 3.32Å; L438-I442 WeakPolarHBondContact O-CG1 3.28Å; L438-I442 PolarHBondContact O-N 2.9Å
439	A	97.5	Very high	95.7	Very high	44 Å²	44	61.2 Å²	61.2	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-39	177.2	0	0	0	0	0	111.6	F326 C435 F436 I442 F443	F326-A439 HydrophobicContact CE1-CB 4.03Å; F326-A439 HydrophobicContact CZ-CB 3.97Å; C435-A439 WeakPolarHBondContact O-CB 3.28Å; C435-A439 PolarHBondContact O-N 2.85Å; F436-A439 PolarHBondContact O-N 3.03Å; A439-I442 PolarHBondContact O-N 3.45Å; A439-F443 PolarHBondContact O-N 3.13Å
440	F	97.6	Very high	95.8	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-69.3	-35.9	177.3	-166.5	-104.2	0	0	0	112.4	L265 V268 W272 W319 F326 F436 P437 L438 F443 N444	L265-F440 HydrophobicContact CD1-CD1 4.3Å; L265-F440 HydrophobicContact CD1-CE1 3.46Å; L265-F440 VanDerWaalsContact CD1-CE1 3.46Å; L265-F440 HydrophobicContact CD1-CZ 4.3Å; V268-F440 HydrophobicContact CB-CZ 4.36Å; V268-F440 HydrophobicContact CG1-CD1 4.26Å; V268-F440 HydrophobicContact CG1-CD2 4.07Å; V268-F440 HydrophobicContact CG1-CE1 4.22Å; V268-F440 HydrophobicContact CG1-CE2 4.02Å; V268-F440 HydrophobicContact CG1-CG 4.19Å; V268-F440 HydrophobicContact CG1-CZ 4.1Å; V268-F440 HydrophobicContact CG2-CE2 4.22Å; V268-F440 HydrophobicContact CG2-CZ 4.18Å; W272-F440 HydrophobicContact CH2-CB 4.28Å; W272-F440 HydrophobicContact CH2-CD1 4.02Å; W272-F440 HydrophobicContact CH2-CG 4.42Å; W272-F440 HydrophobicContact CZ2-CB 3.8Å; W272-F440 AromaticContact CZ2-CD1 3.94Å; W272-F440 HydrophobicContact CZ2-CD1 3.94Å; W272-F440 AromaticContact CZ2-CG 3.96Å; W272-F440 HydrophobicContact CZ2-CG 3.96Å; W319-F440 HydrophobicContact CH2-CZ 4.29Å; F326-F440 HydrophobicContact CD1-CB 4.17Å; F326-F440 HydrophobicContact CD1-CD2 4.06Å; F326-F440 AromaticContact CD2-CD2 3.71Å; F326-F440 HydrophobicContact CD2-CD2 3.71Å; F326-F440 HydrophobicContact CD2-CE2 4.28Å; F326-F440 HydrophobicContact CE1-CB 3.73Å; F326-F440 HydrophobicContact CE1-CD2 4.13Å; F326-F440 HydrophobicContact CE1-CG 4.43Å; F326-F440 AromaticContact CE2-CD2 3.79Å; F326-F440 HydrophobicContact CE2-CD2 3.79Å; F326-F440 AromaticContact CG-CD2 3.85Å; F326-F440 HydrophobicContact CG-CD2 3.85Å; F326-F440 HydrophobicContact CZ-CB 3.97Å; F326-F440 HydrophobicContact CZ-CD2 4Å; F436-F440 WeakPolarHBondContact O-CB 3.31Å; F436-F440 PolarHBondContact O-N 2.98Å; P437-F440 PolarHBondContact O-N 3.1Å; L438-F440 VanDerWaalsContact C-N 3.3Å; L438-F440 PolarHBondContact O-N 2.99Å; F440-F443 HydrophobicContact CD2-CD1 4.19Å; F440-F443 AromaticContact CE2-CD1 3.95Å; F440-F443 HydrophobicContact CE2-CD1 3.95Å; F440-F443 HydrophobicContact CE2-CE1 4.3Å; F440-F443 PolarHBondContact O-N 3.45Å; F440-N444 VanDerWaalsContact CD1-ND2 3.3Å; F440-N444 WeakPolarHBondContact CD1-ND2 3.07Å; F440-N444 WeakPolarHBondContact CE1-ND2 3.31Å; F440-N444 PolarHBondContact O-N 3.09Å; F440-N444 PolarHBondContact O-ND2 3.1Å
441	L	97.3	Very high	95.7	Very high	103 Å²	103	62.2 Å²	62.2	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-45.6	172.7	-180	64.7	0	0	0	111.2	P437 L438 F443 N444 I445	P437-L441 WeakPolarHBondContact O-CB 3.27Å; P437-L441 PolarHBondContact O-N 2.99Å; L438-L441 PolarHBondContact O-N 3.1Å; L441-F443 VanDerWaalsContact C-N 3.33Å; L441-F443 PolarHBondContact O-N 2.97Å; L441-N444 WeakPolarHBondContact O-CB 3.27Å; L441-N444 PolarHBondContact O-N 2.87Å; L441-N444 VanDerWaalsContact O-N 3.16Å; L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 2.93Å
442	I	97.6	Very high	95.3	Very high	86 Å²	86	65.6 Å²	65.6	44%	0.441	34%	0.34	S	S	.	.	H	α-helix	trans	-56.9	-49.8	175	-68.8	165.9	0	0	0	109.6	L438 A439 N444 I445 F446	L438-I442 HydrophobicContact CG-CD1 4.27Å; L438-I442 VanDerWaalsContact O-CG1 3.32Å; L438-I442 WeakPolarHBondContact O-CG1 3.28Å; L438-I442 PolarHBondContact O-N 2.9Å; A439-I442 PolarHBondContact O-N 3.45Å; I442-N444 VanDerWaalsContact C-N 3.31Å; I442-N444 PolarHBondContact O-N 3.27Å; I442-I445 PolarHBondContact O-N 2.85Å; I442-F446 HydrophobicContact CG2-CD2 3.69Å; I442-F446 HydrophobicContact CG2-CE2 3.7Å; I442-F446 VanDerWaalsContact O-CD2 3.32Å; I442-F446 WeakPolarHBondContact O-CD2 3.48Å; I442-F446 PolarHBondContact O-N 2.88Å
443	F	97.3	Very high	94.8	Very high	36 Å²	36	69.4 Å²	69.4	16%	0.158	36%	0.359	C	S	.	.	H	α-helix	trans	-54.4	-45.2	175.8	165.6	-107.3	0	0	0	112.5	W319 V322 A439 F440 L441 I445 F446 Y447	W319-F443 HydrophobicContact CD2-CE1 4.49Å; W319-F443 AromaticContact CE3-CE1 3.69Å; W319-F443 HydrophobicContact CE3-CE1 3.69Å; W319-F443 HydrophobicContact CE3-CZ 4.03Å; W319-F443 AromaticContact CZ3-CE1 3.83Å; W319-F443 HydrophobicContact CZ3-CE1 3.83Å; V322-F443 HydrophobicContact CB-CD2 4.47Å; V322-F443 HydrophobicContact CB-CE1 4.05Å; V322-F443 HydrophobicContact CB-CE2 3.92Å; V322-F443 HydrophobicContact CB-CZ 3.68Å; V322-F443 HydrophobicContact CG1-CD1 3.76Å; V322-F443 HydrophobicContact CG1-CD2 3.81Å; V322-F443 HydrophobicContact CG1-CE1 3.68Å; V322-F443 HydrophobicContact CG1-CE2 3.75Å; V322-F443 HydrophobicContact CG1-CG 3.81Å; V322-F443 HydrophobicContact CG1-CZ 3.68Å; V322-F443 HydrophobicContact CG2-CD2 4.36Å; V322-F443 HydrophobicContact CG2-CE2 3.72Å; V322-F443 HydrophobicContact CG2-CZ 3.94Å; A439-F443 PolarHBondContact O-N 3.13Å; F440-F443 HydrophobicContact CD2-CD1 4.19Å; F440-F443 AromaticContact CE2-CD1 3.95Å; F440-F443 HydrophobicContact CE2-CD1 3.95Å; F440-F443 HydrophobicContact CE2-CE1 4.3Å; F440-F443 PolarHBondContact O-N 3.45Å; L441-F443 VanDerWaalsContact C-N 3.33Å; L441-F443 PolarHBondContact O-N 2.97Å; F443-I445 PolarHBondContact O-N 3.16Å; F443-F446 PolarHBondContact O-N 3.32Å; F443-Y447 HydrophobicContact CE2-CD2 4.16Å; F443-Y447 AromaticContact CZ-CD2 3.91Å; F443-Y447 HydrophobicContact CZ-CD2 3.91Å; F443-Y447 HydrophobicContact CZ-CG 4.23Å; F443-Y447 VanDerWaalsContact O-CB 3.26Å; F443-Y447 WeakPolarHBondContact O-CB 3.41Å; F443-Y447 PolarHBondContact O-N 2.99Å
444	N	96.8	Very high	94	Very high	26 Å²	26	68 Å²	68	14%	0.139	36%	0.358	C	S	.	.	H	α-helix	trans	-59.3	-47.1	177.9	-89	-95.3	0	0	0	111.9	W319 F440 L441 I442 F446 Y447 W448	W319-N444 VanDerWaalsContact CH2-OD1 3.24Å; W319-N444 WeakPolarHBondContact CH2-OD1 3.43Å; W319-N444 WeakPolarHBondContact CZ3-OD1 3.35Å; F440-N444 VanDerWaalsContact CD1-ND2 3.3Å; F440-N444 WeakPolarHBondContact CD1-ND2 3.07Å; F440-N444 WeakPolarHBondContact CE1-ND2 3.31Å; F440-N444 PolarHBondContact O-N 3.09Å; F440-N444 PolarHBondContact O-ND2 3.1Å; L441-N444 WeakPolarHBondContact O-CB 3.27Å; L441-N444 PolarHBondContact O-N 2.87Å; L441-N444 VanDerWaalsContact O-N 3.16Å; I442-N444 VanDerWaalsContact C-N 3.31Å; I442-N444 PolarHBondContact O-N 3.27Å; N444-F446 PolarHBondContact O-N 3.23Å; N444-Y447 PolarHBondContact O-N 3.31Å; N444-W448 WeakPolarHBondContact O-CB 3.45Å; N444-W448 PolarHBondContact O-N 2.99Å
445	I	96.1	Very high	93.1	Very high	105 Å²	105	68.5 Å²	68.5	54%	0.538	35%	0.346	S	S	.	.	H	α-helix	trans	-58.1	-50.3	178.6	-63.9	-70.5	0	0	0	110.1	L441 I442 F443 Y447 V449	L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 2.93Å; I442-I445 PolarHBondContact O-N 2.85Å; F443-I445 PolarHBondContact O-N 3.16Å; I445-Y447 PolarHBondContact O-N 3.39Å; I445-V449 HydrophobicContact CG2-CG2 4.33Å; I445-V449 VanDerWaalsContact O-CB 3.27Å; I445-V449 WeakPolarHBondContact O-CB 3.14Å; I445-V449 WeakPolarHBondContact O-CG2 3.5Å; I445-V449 PolarHBondContact O-N 3.45Å
446	F	96.4	Very high	92.2	Very high	133 Å²	133	70.6 Å²	70.6	58%	0.583	35%	0.349	S	S	*	.	H	α-helix	trans	-61.6	-46.6	178.9	-84.4	-82.1	0	0	0	112.3	I442 F443 N444 V449 I450	I442-F446 HydrophobicContact CG2-CD2 3.69Å; I442-F446 HydrophobicContact CG2-CE2 3.7Å; I442-F446 VanDerWaalsContact O-CD2 3.32Å; I442-F446 WeakPolarHBondContact O-CD2 3.48Å; I442-F446 PolarHBondContact O-N 2.88Å; F443-F446 PolarHBondContact O-N 3.32Å; N444-F446 PolarHBondContact O-N 3.23Å; F446-V449 PolarHBondContact O-N 3.13Å; F446-I450 WeakPolarHBondContact O-CB 3.18Å; F446-I450 WeakPolarHBondContact O-CD1 3.46Å; F446-I450 WeakPolarHBondContact O-CG1 3.5Å; F446-I450 PolarHBondContact O-N 3.02Å
447	Y	96.2	Very high	91.2	Very high	8 Å²	8	73.9 Å²	73.9	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-57.3	-54.4	-179.5	-177.9	-91.8	0	0	0	111.5	M180 Y261 A315 W319 F443 N444 I445 Y451	M180-Y447 HydrophobicContact CE-CE1 4.02Å; Y261-Y447 AromaticContact CE1-CE1 3.73Å; Y261-Y447 HydrophobicContact CE1-CE1 3.73Å; Y261-Y447 PolarHBondContact OH-OH 3.31Å; A315-Y447 WeakPolarHBondContact O-CE2 3.38Å; A315-Y447 PolarHBondContact O-OH 3.41Å; W319-Y447 HydrophobicContact CB-CE2 3.96Å; W319-Y447 AromaticContact CE3-CD1 3.87Å; W319-Y447 HydrophobicContact CE3-CD1 3.87Å; W319-Y447 HydrophobicContact CE3-CD2 4.39Å; W319-Y447 AromaticContact CE3-CE1 3.95Å; W319-Y447 HydrophobicContact CE3-CE1 3.95Å; W319-Y447 HydrophobicContact CE3-CE2 4.44Å; W319-Y447 HydrophobicContact CE3-CG 4.11Å; W319-Y447 HydrophobicContact CZ3-CD1 4.23Å; F443-Y447 HydrophobicContact CE2-CD2 4.16Å; F443-Y447 AromaticContact CZ-CD2 3.91Å; F443-Y447 HydrophobicContact CZ-CD2 3.91Å; F443-Y447 HydrophobicContact CZ-CG 4.23Å; F443-Y447 VanDerWaalsContact O-CB 3.26Å; F443-Y447 WeakPolarHBondContact O-CB 3.41Å; F443-Y447 PolarHBondContact O-N 2.99Å; N444-Y447 PolarHBondContact O-N 3.31Å; I445-Y447 PolarHBondContact O-N 3.39Å; Y447-Y451 HydrophobicContact CD1-CD2 4.31Å; Y447-Y451 AromaticContact CD2-CD2 3.87Å; Y447-Y451 HydrophobicContact CD2-CD2 3.87Å; Y447-Y451 AromaticContact CD2-CE2 3.7Å; Y447-Y451 HydrophobicContact CD2-CE2 3.7Å; Y447-Y451 HydrophobicContact CE1-CD2 4.11Å; Y447-Y451 AromaticContact CE2-CD2 3.66Å; Y447-Y451 HydrophobicContact CE2-CD2 3.66Å; Y447-Y451 AromaticContact CE2-CE2 3.38Å; Y447-Y451 HydrophobicContact CE2-CE2 3.38Å; Y447-Y451 HydrophobicContact CG-CD2 4.18Å; Y447-Y451 HydrophobicContact CG-CE2 4.45Å; Y447-Y451 AromaticContact CZ-CD2 3.78Å; Y447-Y451 AromaticContact CZ-CE2 3.9Å; Y447-Y451 VanDerWaalsContact O-CD2 3.28Å; Y447-Y451 WeakPolarHBondContact O-CD2 3.25Å; Y447-Y451 PolarHBondContact O-N 3.47Å; Y447-Y451 VanDerWaalsContact O-N 3.13Å
448	W	94.6	Very high	90	Very high	81 Å²	81	74.1 Å²	74.1	31%	0.307	36%	0.363	S	S	.	.	H	α-helix	trans	-68.9	-37.4	-176.2	-70.6	115.2	0	0	0	112.7	M180 M253 L257 Y261 N444 K452	M180-W448 HydrophobicContact CE-CZ3 4.26Å; M180-W448 HydrophobicContact SD-CE3 4.2Å; M180-W448 HydrophobicContact SD-CZ3 3.84Å; M253-W448 HydrophobicContact CE-CH2 3.57Å; M253-W448 HydrophobicContact CE-CZ3 3.68Å; L257-W448 HydrophobicContact CD2-CH2 3.68Å; L257-W448 HydrophobicContact CD2-CZ2 4.17Å; Y261-W448 AromaticContact CD1-CH2 3.86Å; Y261-W448 HydrophobicContact CD1-CH2 3.86Å; Y261-W448 AromaticContact CD1-CZ2 3.61Å; Y261-W448 HydrophobicContact CD1-CZ2 3.61Å; Y261-W448 HydrophobicContact CD2-CH2 4.32Å; Y261-W448 AromaticContact CE1-CH2 3.78Å; Y261-W448 HydrophobicContact CE1-CH2 3.78Å; Y261-W448 AromaticContact CE1-CZ2 3.83Å; Y261-W448 HydrophobicContact CE1-CZ2 3.83Å; Y261-W448 HydrophobicContact CE2-CH2 4.26Å; Y261-W448 HydrophobicContact CG-CH2 4.14Å; Y261-W448 HydrophobicContact CG-CZ2 4.12Å; Y261-W448 AromaticContact CZ-CH2 3.98Å; N444-W448 WeakPolarHBondContact O-CB 3.45Å; N444-W448 PolarHBondContact O-N 2.99Å; W448-K452 WeakPolarHBondContact O-CB 3.45Å; W448-K452 PolarHBondContact O-N 3.02Å
449	V	93.9	Very high	88.7	Confident	75 Å²	75	71 Å²	71	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-48.4	177.7	170.3	0	0	0	0	110.7	I445 F446 K452 I453	I445-V449 HydrophobicContact CG2-CG2 4.33Å; I445-V449 VanDerWaalsContact O-CB 3.27Å; I445-V449 WeakPolarHBondContact O-CB 3.14Å; I445-V449 WeakPolarHBondContact O-CG2 3.5Å; I445-V449 PolarHBondContact O-N 3.45Å; F446-V449 PolarHBondContact O-N 3.13Å; V449-K452 PolarHBondContact O-N 2.92Å; V449-I453 HydrophobicContact CG1-CD1 3.54Å; V449-I453 HydrophobicContact CG1-CG1 4.36Å; V449-I453 WeakPolarHBondContact O-CB 3.42Å; V449-I453 VanDerWaalsContact O-CG1 3.24Å; V449-I453 WeakPolarHBondContact O-CG1 3.4Å; V449-I453 PolarHBondContact O-N 2.92Å
450	I	93	Very high	87.2	Confident	84 Å²	84	73 Å²	73	43%	0.431	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-53.1	-179.1	-70	168.8	0	0	0	110.5	F446 K452 I453 L454	F446-I450 WeakPolarHBondContact O-CB 3.18Å; F446-I450 WeakPolarHBondContact O-CD1 3.46Å; F446-I450 WeakPolarHBondContact O-CG1 3.5Å; F446-I450 PolarHBondContact O-N 3.02Å; I450-K452 VanDerWaalsContact C-N 3.3Å; I450-K452 PolarHBondContact O-N 2.93Å; I450-I453 PolarHBondContact O-N 3.25Å; I450-L454 HydrophobicContact CG2-CD1 3.62Å; I450-L454 HydrophobicContact CG2-CG 4.25Å; I450-L454 WeakPolarHBondContact O-CB 3.38Å; I450-L454 VanDerWaalsContact O-CG 3.3Å; I450-L454 WeakPolarHBondContact O-CG 3.44Å; I450-L454 PolarHBondContact O-N 2.9Å
451	Y	90.1	Very high	85.5	Confident	29 Å²	29	79.4 Å²	79.4	11%	0.114	38%	0.378	C	S	.	.	H	α-helix	trans	-72.8	-22.5	-176.2	-74	-67.6	0	0	0	113.9	M180 A315 I318 Y447 L454 R455	M180-Y451 HydrophobicContact CE-CD1 4.42Å; M180-Y451 HydrophobicContact CE-CD2 4.14Å; M180-Y451 HydrophobicContact CE-CG 3.72Å; A315-Y451 HydrophobicContact CB-CD1 3.83Å; A315-Y451 HydrophobicContact CB-CD2 4.3Å; A315-Y451 HydrophobicContact CB-CE1 3.35Å; A315-Y451 HydrophobicContact CB-CE2 3.88Å; A315-Y451 HydrophobicContact CB-CG 4.29Å; I318-Y451 VanDerWaalsContact CD1-OH 3.26Å; I318-Y451 WeakPolarHBondContact CD1-OH 3.49Å; Y447-Y451 HydrophobicContact CD1-CD2 4.31Å; Y447-Y451 AromaticContact CD2-CD2 3.87Å; Y447-Y451 HydrophobicContact CD2-CD2 3.87Å; Y447-Y451 AromaticContact CD2-CE2 3.7Å; Y447-Y451 HydrophobicContact CD2-CE2 3.7Å; Y447-Y451 HydrophobicContact CE1-CD2 4.11Å; Y447-Y451 AromaticContact CE2-CD2 3.66Å; Y447-Y451 HydrophobicContact CE2-CD2 3.66Å; Y447-Y451 AromaticContact CE2-CE2 3.38Å; Y447-Y451 HydrophobicContact CE2-CE2 3.38Å; Y447-Y451 HydrophobicContact CG-CD2 4.18Å; Y447-Y451 HydrophobicContact CG-CE2 4.45Å; Y447-Y451 AromaticContact CZ-CD2 3.78Å; Y447-Y451 AromaticContact CZ-CE2 3.9Å; Y447-Y451 VanDerWaalsContact O-CD2 3.28Å; Y447-Y451 WeakPolarHBondContact O-CD2 3.25Å; Y447-Y451 PolarHBondContact O-N 3.47Å; Y447-Y451 VanDerWaalsContact O-N 3.13Å; Y451-L454 HydrophobicContact CD1-CD1 4.08Å; Y451-L454 HydrophobicContact CE1-CD1 4.22Å; Y451-R455 VanDerWaalsContact O-CB 3.24Å; Y451-R455 WeakPolarHBondContact O-CB 3.19Å; Y451-R455 PolarHBondContact O-N 3.32Å; Y451-R455 VanDerWaalsContact O-N 3.09Å
452	K	86.1	Confident	83.6	Confident	157 Å²	157	77 Å²	77	68%	0.683	36%	0.364	S	S	*	.	H	α-helix	trans	-74.6	-38.9	170.9	-171.9	179.8	178	-174.2	0	112	W448 V449 I450 H456	W448-K452 WeakPolarHBondContact O-CB 3.45Å; W448-K452 PolarHBondContact O-N 3.02Å; V449-K452 PolarHBondContact O-N 2.92Å; I450-K452 VanDerWaalsContact C-N 3.3Å; I450-K452 PolarHBondContact O-N 2.93Å; K452-H456 PolarHBondContact O-N 2.92Å
453	I	84.5	Confident	81.5	Confident	90 Å²	90	78.3 Å²	78.3	46%	0.462	37%	0.369	S	S	.	.	H	α-helix	trans	-68.1	-48.4	175.4	-68.3	169.1	0	0	0	110.1	V449 I450 R455 H456 E457	V449-I453 HydrophobicContact CG1-CD1 3.54Å; V449-I453 HydrophobicContact CG1-CG1 4.36Å; V449-I453 WeakPolarHBondContact O-CB 3.42Å; V449-I453 VanDerWaalsContact O-CG1 3.24Å; V449-I453 WeakPolarHBondContact O-CG1 3.4Å; V449-I453 PolarHBondContact O-N 2.92Å; I450-I453 PolarHBondContact O-N 3.25Å; I453-R455 VanDerWaalsContact C-N 3.29Å; I453-R455 PolarHBondContact O-N 3.5Å; I453-H456 WeakPolarHBondContact O-CA 3.45Å; I453-H456 VanDerWaalsContact O-CB 3.32Å; I453-H456 WeakPolarHBondContact O-CB 3.41Å; I453-H456 PolarHBondContact O-N 2.97Å; I453-E457 PolarHBondContact O-N 3.48Å
454	L	77.4	Confident	78.8	Confident	56 Å²	56	85.4 Å²	85.4	29%	0.293	41%	0.408	S	S	.	.	H	α-helix	trans	-56.7	-43.5	176.4	-72.7	171.6	0	0	0	111.6	I450 Y451 H456 E457 D458	I450-L454 HydrophobicContact CG2-CD1 3.62Å; I450-L454 HydrophobicContact CG2-CG 4.25Å; I450-L454 WeakPolarHBondContact O-CB 3.38Å; I450-L454 VanDerWaalsContact O-CG 3.3Å; I450-L454 WeakPolarHBondContact O-CG 3.44Å; I450-L454 PolarHBondContact O-N 2.9Å; Y451-L454 HydrophobicContact CD1-CD1 4.08Å; Y451-L454 HydrophobicContact CE1-CD1 4.22Å; L454-H456 PolarHBondContact O-N 3.27Å; L454-E457 PolarHBondContact O-N 2.9Å; L454-D458 WeakPolarHBondContact O-CB 3.44Å; L454-D458 VanDerWaalsContact O-CG 3.29Å; L454-D458 PolarHBondContact O-N 3.09Å
455	R	76.9	Confident	77.9	Confident	73 Å²	73	88.4 Å²	88.4	28%	0.275	42%	0.422	S	S	.	.	H	α-helix	trans	-58.1	-38.1	173.6	177.3	-179.9	176.2	-177	-2.2	112.5	E250 Y451 I453 I459	E250-R455 IonicContact OE1-CZ 3.12Å; E250-R455 VanDerWaalsContact OE1-CZ 3.3Å; E250-R455 IonicContact OE1-NE 3.35Å; E250-R455 PolarHBondContact OE1-NE 2.93Å; E250-R455 IonicContact OE1-NH2 3.45Å; E250-R455 PolarHBondContact OE1-NH2 3.37Å; Y451-R455 VanDerWaalsContact O-CB 3.24Å; Y451-R455 WeakPolarHBondContact O-CB 3.19Å; Y451-R455 PolarHBondContact O-N 3.32Å; Y451-R455 VanDerWaalsContact O-N 3.09Å; I453-R455 VanDerWaalsContact C-N 3.29Å; I453-R455 PolarHBondContact O-N 3.5Å; R455-I459 HydrophobicContact CG-CD1 4.1Å; R455-I459 WeakPolarHBondContact O-CD1 3.44Å; R455-I459 WeakPolarHBondContact O-CG1 3.25Å; R455-I459 PolarHBondContact O-N 3.11Å
456	H	75.6	Confident	76.9	Confident	113 Å²	113	87.5 Å²	87.5	52%	0.523	42%	0.416	S	S	.	.	H	α-helix	trans	-69.5	-43.9	178.3	-172.6	-97.3	0	0	0	110.9	K452 I453 L454 I459 H460	K452-H456 PolarHBondContact O-N 2.92Å; I453-H456 WeakPolarHBondContact O-CA 3.45Å; I453-H456 VanDerWaalsContact O-CB 3.32Å; I453-H456 WeakPolarHBondContact O-CB 3.41Å; I453-H456 PolarHBondContact O-N 2.97Å; L454-H456 PolarHBondContact O-N 3.27Å; H456-I459 PolarHBondContact O-N 3.37Å; H456-H460 AromaticContact CD2-NE2 3.79Å; H456-H460 AromaticContact CE1-CD2 3.19Å; H456-H460 PolarHBondContact CE1-CD2 3.43Å; H456-H460 AromaticContact CE1-NE2 2.86Å; H456-H460 PolarHBondContact CE1-NE2 3.1Å; H456-H460 AromaticContact CG-CD2 3.87Å; H456-H460 AromaticContact ND1-CD2 3.27Å; H456-H460 PolarHBondContact ND1-CD2 3.39Å; H456-H460 VanDerWaalsContact ND1-CD2 3.27Å; H456-H460 AromaticContact ND1-NE2 3.47Å; H456-H460 PolarHBondContact ND1-NE2 3.12Å; H456-H460 AromaticContact NE2-CD2 3.72Å; H456-H460 AromaticContact NE2-NE2 3.07Å; H456-H460 PolarHBondContact NE2-NE2 3.2Å; H456-H460 PolarHBondContact O-CD2 2.89Å; H456-H460 PolarHBondContact O-N 2.96Å
457	E	76.1	Confident	75.8	Confident	101 Å²	101	85 Å²	85	47%	0.472	41%	0.406	S	S	.	.	H	α-helix	trans	-61.1	-43.3	174.9	-70.7	-177.9	170.2	0	0	112.4	I453 L454 I459 H460 Q461	I453-E457 PolarHBondContact O-N 3.48Å; L454-E457 PolarHBondContact O-N 2.9Å; E457-I459 PolarHBondContact O-N 2.99Å; E457-H460 PolarHBondContact O-N 2.97Å; E457-H460 VanDerWaalsContact O-N 3.17Å; E457-Q461 WeakPolarHBondContact O-CG 3.5Å; E457-Q461 PolarHBondContact O-N 2.92Å
458	D	71.6	Confident	74.6	Confident	47 Å²	47	89.5 Å²	89.5	25%	0.251	43%	0.428	S	S	.	.	H	α-helix	trans	-59.9	-33.5	176.5	-72.1	-20.1	0	0	0	112	N177 L454 Q462	N177-D458 PolarHBondContact ND2-OD2 3.32Å; L454-D458 WeakPolarHBondContact O-CB 3.44Å; L454-D458 VanDerWaalsContact O-CG 3.29Å; L454-D458 PolarHBondContact O-N 3.09Å; D458-Q462 VanDerWaalsContact O-CG 3.31Å; D458-Q462 WeakPolarHBondContact O-CG 3.41Å
459	I	70.2	Confident	73.4	Confident	39 Å²	39	90.1 Å²	90.1	20%	0.2	44%	0.436	C	S	.	.	H	α-helix	trans	-73.5	-42.9	176.3	-68.5	164.4	0	0	0	110.7	V182 R455 H456 E457 Q462	V182-I459 HydrophobicContact CG2-CG1 4.12Å; R455-I459 HydrophobicContact CG-CD1 4.1Å; R455-I459 WeakPolarHBondContact O-CD1 3.44Å; R455-I459 WeakPolarHBondContact O-CG1 3.25Å; R455-I459 PolarHBondContact O-N 3.11Å; H456-I459 PolarHBondContact O-N 3.37Å; E457-I459 PolarHBondContact O-N 2.99Å; I459-Q462 PolarHBondContact O-N 3.46Å
460	H	66.7	Low	72	Confident	86 Å²	86	91.1 Å²	91.1	40%	0.398	44%	0.435	S	S	.	.	H	α-helix	trans	-69	-40	-180	-78.7	-69.9	0	0	0	112.6	H456 E457 Q462 Q463	H456-H460 AromaticContact CD2-NE2 3.79Å; H456-H460 AromaticContact CE1-CD2 3.19Å; H456-H460 PolarHBondContact CE1-CD2 3.43Å; H456-H460 AromaticContact CE1-NE2 2.86Å; H456-H460 PolarHBondContact CE1-NE2 3.1Å; H456-H460 AromaticContact CG-CD2 3.87Å; H456-H460 AromaticContact ND1-CD2 3.27Å; H456-H460 PolarHBondContact ND1-CD2 3.39Å; H456-H460 VanDerWaalsContact ND1-CD2 3.27Å; H456-H460 AromaticContact ND1-NE2 3.47Å; H456-H460 PolarHBondContact ND1-NE2 3.12Å; H456-H460 AromaticContact NE2-CD2 3.72Å; H456-H460 AromaticContact NE2-NE2 3.07Å; H456-H460 PolarHBondContact NE2-NE2 3.2Å; H456-H460 PolarHBondContact O-CD2 2.89Å; H456-H460 PolarHBondContact O-N 2.96Å; E457-H460 PolarHBondContact O-N 2.97Å; E457-H460 VanDerWaalsContact O-N 3.17Å; H460-Q462 PolarHBondContact O-N 3.4Å; H460-Q462 VanDerWaalsContact O-N 3.14Å; H460-Q463 PolarHBondContact O-N 3.29Å
461	Q	62	Low	70.5	Confident	139 Å²	139	91.6 Å²	91.6	65%	0.65	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.9	176.4	-75.1	-175	1.9	0	0	114	E457	E457-Q461 WeakPolarHBondContact O-CG 3.5Å; E457-Q461 PolarHBondContact O-N 2.92Å
462	Q	57.3	Low	69	Low	52 Å²	52	96.4 Å²	96.4	24%	0.243	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-14.5	174.8	-72.3	176	17.8	0	0	112.8	H248 D458 I459 H460	H248-Q462 PolarHBondContact ND1-OE1 3.46Å; D458-Q462 VanDerWaalsContact O-CG 3.31Å; D458-Q462 WeakPolarHBondContact O-CG 3.41Å; I459-Q462 PolarHBondContact O-N 3.46Å; H460-Q462 PolarHBondContact O-N 3.4Å; H460-Q462 VanDerWaalsContact O-N 3.14Å
463	Q	52.1	Low	67.6	Low	114 Å²	114	91.3 Å²	91.3	53%	0.533	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-14.4	179	-64.5	-169.9	-54.1	0	0	113.4	E225 H460	E225-Q463 PolarHBondContact OE2-NE2 3.27Å; H460-Q463 PolarHBondContact O-N 3.29Å
464	D	40.6	Very low	66	Low	186 Å²	186	91.5 Å²	91.5	100%	0.995	44%	0.439	S	S	*	.			trans	-95.2	0	169.6	-67.6	-31.7	0	0	0	111

Retrieved 464 of 464 residues in 175.9 ms (Link to these results)

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